From 5b5dadce39f9bcd99d0e48c01b020a95711307be Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 8 Apr 2022 19:06:12 +0200 Subject: [PATCH 01/15] Restructuring the geometry and pushers The geometry and push structure has been reworked to allow eassy adding new pushers. Documentation not updated yet. Baseline for merging Cartesian pushers into one. --- makefile | 2 +- runs/0D_Argon/input.json | 14 +- runs/1D_Cathode/Argon+_Background.dat | 51 -- runs/1D_Cathode/Electron_Background.dat | 51 -- runs/1D_Cathode/inputCart.json | 15 +- runs/1D_Cathode/inputRadEmission.json | 15 +- runs/ALPHIE_Grid/inputBaseCase.json | 9 +- runs/ALPHIE_Grid/inputIonization_0.10mA.json | 9 +- runs/Argon_Expansion/CX_case.json | 9 +- runs/Argon_Expansion/elastic_case.json | 9 +- runs/Argon_Expansion/nocoll_case.json | 9 +- runs/cylFlow/input.json | 9 +- runs/cylFlow/inputDualMesh.json | 13 +- runs/cylFlow/mesh.msh.opt | 629 ------------------ .../mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 | 199 +++--- src/modules/mesh/moduleMesh.f90 | 2 + src/modules/moduleInput.f90 | 296 +++++---- src/modules/moduleSolver.f90 | 140 ++-- 18 files changed, 429 insertions(+), 1052 deletions(-) delete mode 100644 runs/1D_Cathode/Argon+_Background.dat delete mode 100644 runs/1D_Cathode/Electron_Background.dat delete mode 100644 runs/cylFlow/mesh.msh.opt diff --git a/makefile b/makefile index 6516128..565f3f8 100644 --- a/makefile +++ b/makefile @@ -6,7 +6,7 @@ SRCDIR := $(TOPDIR)/src# source folder # compiler # gfortran: FC := gfortran -JSONDIR := $(TOPDIR)/json-fortran-8.2.0/build-gfortran +JSONDIR := $(TOPDIR)/json-fortran/build-gfortran # ifort: # FC := ifort # JSONDIR := $(TOPDIR)/json-fortran-8.2.0/build-ifort diff --git a/runs/0D_Argon/input.json b/runs/0D_Argon/input.json index 6940f77..6af25d0 100644 --- a/runs/0D_Argon/input.json +++ b/runs/0D_Argon/input.json @@ -1,7 +1,7 @@ { "output": { - "path": "./runs/0D_test/", + "path": "./runs/0D_Argon/", "triggerOutput": 1, "numColl": true, "folder": "test" @@ -13,21 +13,19 @@ "radius": 1.88e-10 }, "geometry": { - "type": "1DCart", - "meshType": "0D", + "dimension": 0, "volume": 1e-11 }, "species": [ {"name": "Argon+", "type": "charged", "mass": 6.633e-26, "charge": 1.0, "weight": 1.0e0}, {"name": "Argon", "type": "neutral", "mass": 6.633e-26, "weight": 1.0e0} ], - "case": { + "solver": { "tau": [1.0e-6, 1.0e-6], - "time": 1.0e-3, - "pusher": ["0D", "0D"], + "finalTime": 1.0e-3, "initial": [ - {"speciesName": "Argon+", "initialState": "Argon+_Initial.dat"}, - {"speciesName": "Argon", "initialState": "Argon_Initial.dat"} + {"species": "Argon+", "file": "Argon+_Initial.dat"}, + {"species": "Argon", "file": "Argon_Initial.dat"} ] }, "interactions": { diff --git a/runs/1D_Cathode/Argon+_Background.dat b/runs/1D_Cathode/Argon+_Background.dat deleted file mode 100644 index b9128d9..0000000 --- a/runs/1D_Cathode/Argon+_Background.dat +++ /dev/null @@ -1,51 +0,0 @@ -#Element Density(m^-3) Velocity (m/2) Temperature (K) -1 1.8672E+15 -4.2433E+04 0.0000E+00 0.0000E+00 1.7536E+03 -2 1.7491E+15 -4.1621E+04 0.0000E+00 0.0000E+00 1.8298E+03 -3 1.7130E+15 -4.0665E+04 0.0000E+00 0.0000E+00 1.6838E+03 -4 1.7346E+15 -3.9729E+04 0.0000E+00 0.0000E+00 1.5787E+03 -5 1.7565E+15 -3.8817E+04 0.0000E+00 0.0000E+00 1.5641E+03 -6 1.7107E+15 -3.7924E+04 0.0000E+00 0.0000E+00 1.4574E+03 -7 1.6611E+15 -3.7036E+04 0.0000E+00 0.0000E+00 1.3561E+03 -8 1.6543E+15 -3.6166E+04 0.0000E+00 0.0000E+00 1.2648E+03 -9 1.6850E+15 -3.5302E+04 0.0000E+00 0.0000E+00 1.1812E+03 -10 1.7615E+15 -3.4449E+04 0.0000E+00 0.0000E+00 1.1669E+03 -11 1.7123E+15 -3.3627E+04 0.0000E+00 0.0000E+00 1.1458E+03 -12 1.6138E+15 -3.2791E+04 0.0000E+00 0.0000E+00 1.0411E+03 -13 1.6308E+15 -3.1965E+04 0.0000E+00 0.0000E+00 9.6919E+02 -14 1.6581E+15 -3.1161E+04 0.0000E+00 0.0000E+00 9.8432E+02 -15 1.6576E+15 -3.0359E+04 0.0000E+00 0.0000E+00 9.8741E+02 -16 1.6780E+15 -2.9560E+04 0.0000E+00 0.0000E+00 9.1285E+02 -17 1.6906E+15 -2.8768E+04 0.0000E+00 0.0000E+00 8.5525E+02 -18 1.6773E+15 -2.7987E+04 0.0000E+00 0.0000E+00 8.5787E+02 -19 1.6571E+15 -2.7208E+04 0.0000E+00 0.0000E+00 8.3556E+02 -20 1.6547E+15 -2.6431E+04 0.0000E+00 0.0000E+00 7.9246E+02 -21 1.6878E+15 -2.5659E+04 0.0000E+00 0.0000E+00 7.6169E+02 -22 1.7458E+15 -2.4887E+04 0.0000E+00 0.0000E+00 7.4698E+02 -23 1.7634E+15 -2.4124E+04 0.0000E+00 0.0000E+00 7.5560E+02 -24 1.8070E+15 -2.3350E+04 0.0000E+00 0.0000E+00 7.3385E+02 -25 1.8616E+15 -2.2579E+04 0.0000E+00 0.0000E+00 7.1475E+02 -26 1.8601E+15 -2.1822E+04 0.0000E+00 0.0000E+00 7.1208E+02 -27 1.8291E+15 -2.1053E+04 0.0000E+00 0.0000E+00 6.8693E+02 -28 1.8542E+15 -2.0280E+04 0.0000E+00 0.0000E+00 6.5924E+02 -29 1.9410E+15 -1.9518E+04 0.0000E+00 0.0000E+00 6.4794E+02 -30 1.9685E+15 -1.8749E+04 0.0000E+00 0.0000E+00 6.4988E+02 -31 2.0048E+15 -1.7973E+04 0.0000E+00 0.0000E+00 6.2752E+02 -32 2.1060E+15 -1.7194E+04 0.0000E+00 0.0000E+00 6.1567E+02 -33 2.1705E+15 -1.6418E+04 0.0000E+00 0.0000E+00 6.1351E+02 -34 2.1947E+15 -1.5629E+04 0.0000E+00 0.0000E+00 6.0244E+02 -35 2.2625E+15 -1.4824E+04 0.0000E+00 0.0000E+00 6.0286E+02 -36 2.4096E+15 -1.4023E+04 0.0000E+00 0.0000E+00 5.9199E+02 -37 2.5632E+15 -1.3209E+04 0.0000E+00 0.0000E+00 5.8388E+02 -38 2.6774E+15 -1.2384E+04 0.0000E+00 0.0000E+00 5.8875E+02 -39 2.8107E+15 -1.1544E+04 0.0000E+00 0.0000E+00 5.8973E+02 -40 2.9409E+15 -1.0692E+04 0.0000E+00 0.0000E+00 5.9631E+02 -41 3.1254E+15 -9.8219E+03 0.0000E+00 0.0000E+00 5.9943E+02 -42 3.4330E+15 -8.9344E+03 0.0000E+00 0.0000E+00 5.9491E+02 -43 3.7218E+15 -8.0260E+03 0.0000E+00 0.0000E+00 5.9949E+02 -44 4.0857E+15 -7.0817E+03 0.0000E+00 0.0000E+00 6.4591E+02 -45 4.5046E+15 -6.1015E+03 0.0000E+00 0.0000E+00 5.9669E+02 -46 5.4123E+15 -5.0997E+03 0.0000E+00 0.0000E+00 5.7835E+02 -47 6.7144E+15 -4.2183E+03 0.0000E+00 0.0000E+00 4.7454E+02 -48 9.1344E+15 -3.1141E+03 0.0000E+00 0.0000E+00 3.0000E+02 -49 1.4157E+16 -1.8530E+03 0.0000E+00 0.0000E+00 3.0000E+02 -50 2.3064E+16 -9.7547E+02 0.0000E+00 0.0000E+00 2.7186E+02 diff --git a/runs/1D_Cathode/Electron_Background.dat b/runs/1D_Cathode/Electron_Background.dat deleted file mode 100644 index 5243fab..0000000 --- a/runs/1D_Cathode/Electron_Background.dat +++ /dev/null @@ -1,51 +0,0 @@ -#Element Density(m^-3) Velocity (m/2) Temperature (K) -1 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -2 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -3 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -4 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -5 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -6 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -7 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -8 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -9 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -10 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -11 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -12 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -13 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -14 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -15 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -16 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -17 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -18 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -19 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -20 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -21 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -22 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -23 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -24 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -25 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -26 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -27 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -28 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -29 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -30 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -31 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -32 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -33 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -34 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -35 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -36 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -37 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -38 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -39 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -40 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -41 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -42 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -43 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -44 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -45 7.5916E+12 1.8413E+05 0.0000E+00 0.0000E+00 5.7527E+03 -46 7.5916E+12 1.8413E+05 0.0000E+00 0.0000E+00 5.7527E+03 -47 4.0201E+14 -2.3775E+04 0.0000E+00 0.0000E+00 1.1359E+04 -48 4.0201E+14 -2.3775E+04 0.0000E+00 0.0000E+00 1.1359E+04 -49 6.9489E+15 -8.8002E+03 0.0000E+00 0.0000E+00 9.5125E+03 -50 6.9489E+15 -8.8002E+03 0.0000E+00 0.0000E+00 9.5125E+03 diff --git a/runs/1D_Cathode/inputCart.json b/runs/1D_Cathode/inputCart.json index 74eb5f7..a2acdc3 100644 --- a/runs/1D_Cathode/inputCart.json +++ b/runs/1D_Cathode/inputCart.json @@ -14,7 +14,8 @@ "temperature": 11604.0 }, "geometry": { - "type": "1DCart", + "dimension": 1, + "type": "Cart", "meshType": "gmsh2", "meshFile": "mesh.msh" }, @@ -43,15 +44,11 @@ {"name": "Plasma Cat e", "species": "Electron", "flow": 2.64e-5, "units": "A", "v": 180000.0, "T": [ 2300.0, 2300.0, 2300.0], "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [ 1, 0, 0], "physicalSurface": 1} ], - "case": { + "solver": { "tau": [1.0e-11, 1.0e-11], - "time": 4.0e-6, - "pusher": ["1DCartCharged", "1DCartCharged"], - "EMSolver": "Electrostatic", - "initial": [ - {"speciesName": "Argon+", "initialState": "Argon+_Background.dat"}, - {"speciesName": "Electron", "initialState": "Electron_Background.dat"} - ] + "finalTime": 4.0e-6, + "pusher": ["Electrostatic", "Electrostatic"], + "EMSolver": "Electrostatic" }, "parallel": { "OpenMP":{ diff --git a/runs/1D_Cathode/inputRadEmission.json b/runs/1D_Cathode/inputRadEmission.json index 14fb767..6f0e892 100644 --- a/runs/1D_Cathode/inputRadEmission.json +++ b/runs/1D_Cathode/inputRadEmission.json @@ -14,7 +14,8 @@ "temperature": 11604.0 }, "geometry": { - "type": "1DRad", + "dimension": 1, + "type": "Cart", "meshType": "gmsh2", "meshFile": "mesh.msh" }, @@ -43,15 +44,11 @@ {"name": "Plasma Cat e", "species": "Electron", "flow": 2.64e-2, "units": "A", "v": 180000.0, "T": [ 2300.0, 2300.0, 2300.0], "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [ 1, 0, 0], "physicalSurface": 1} ], - "case": { + "solver": { "tau": [1.0e-11, 1.0e-11], - "time": 3.0e-7, - "pusher": ["1DRadCharged", "1DRadCharged"], - "EMSolver": "Electrostatic", - "initial": [ - {"speciesName": "Argon+", "initialState": "Argon+_Background.dat"}, - {"speciesName": "Electron", "initialState": "Electron_Background.dat"} - ] + "finalTime": 3.0e-7, + "pusher": ["Electrostatic", "Electrostatic"], + "EMSolver": "Electrostatic" }, "parallel": { "OpenMP":{ diff --git a/runs/ALPHIE_Grid/inputBaseCase.json b/runs/ALPHIE_Grid/inputBaseCase.json index 7cb1ba0..db58686 100644 --- a/runs/ALPHIE_Grid/inputBaseCase.json +++ b/runs/ALPHIE_Grid/inputBaseCase.json @@ -8,7 +8,8 @@ "folder": "base_case" }, "geometry": { - "type": "2DCyl", + "dimension": 2, + "type": "Cyl", "meshType": "gmsh2", "meshFile": "mesh.msh" }, @@ -61,10 +62,10 @@ "temperature": 2500.0, "radius": 1.88e-10 }, - "case": { + "solver": { "tau": [1.0e-9, 1.0e-11], - "time": 1.0e-6, - "pusher": ["2DCylCharged", "2DCylCharged"], + "finalTime": 1.0e-6, + "pusher": ["Electrostatic", "Electrostatic"], "WeightingScheme": "Volume", "EMSolver": "Electrostatic" }, diff --git a/runs/ALPHIE_Grid/inputIonization_0.10mA.json b/runs/ALPHIE_Grid/inputIonization_0.10mA.json index e7664bd..d328139 100644 --- a/runs/ALPHIE_Grid/inputIonization_0.10mA.json +++ b/runs/ALPHIE_Grid/inputIonization_0.10mA.json @@ -8,7 +8,8 @@ "folder": "ionization_0.10mA" }, "geometry": { - "type": "2DCyl", + "dimension": 2, + "type": "Cyl", "meshType": "gmsh2", "meshFile": "mesh.msh" }, @@ -58,10 +59,10 @@ "temperature": 2500.0, "radius": 1.88e-10 }, - "case": { + "solver": { "tau": [1.0e-9, 1.0e-11], - "time": 1.0e-6, - "pusher": ["2DCylCharged", "2DCylCharged"], + "finalTime": 1.0e-6, + "pusher": ["Electrostatic", "Electrostatic"], "WeightingScheme": "Volume", "EMSolver": "Electrostatic" }, diff --git a/runs/Argon_Expansion/CX_case.json b/runs/Argon_Expansion/CX_case.json index d382a5d..8081b94 100644 --- a/runs/Argon_Expansion/CX_case.json +++ b/runs/Argon_Expansion/CX_case.json @@ -7,7 +7,8 @@ "folder": "CX_case" }, "geometry": { - "type": "2DCyl", + "dimension": 2, + "type": "Cyl", "meshType": "gmsh2", "meshFile": "mesh.msh" }, @@ -41,10 +42,10 @@ "temperature": 300.0, "radius": 1.88e-10 }, - "case": { + "solver": { "tau": [1.0e-6, 1.0e-6], - "time": 4.0e-3, - "pusher": ["2DCylNeutral", "2DCylNeutral"], + "finalTime": 4.0e-3, + "pusher": ["Neutral", "Neutral"], "WeightingScheme": "Volume" }, "interactions": { diff --git a/runs/Argon_Expansion/elastic_case.json b/runs/Argon_Expansion/elastic_case.json index ac9fcc7..dab4720 100644 --- a/runs/Argon_Expansion/elastic_case.json +++ b/runs/Argon_Expansion/elastic_case.json @@ -7,7 +7,8 @@ "folder": "Elastic_case" }, "geometry": { - "type": "2DCyl", + "dimension": 2, + "type": "Cyl", "meshType": "gmsh2", "meshFile": "mesh.msh" }, @@ -41,10 +42,10 @@ "temperature": 300.0, "radius": 1.88e-10 }, - "case": { + "solver": { "tau": [1.0e-6, 1.0e-6], - "time": 4.0e-3, - "pusher": ["2DCylNeutral", "2DCylNeutral"], + "finalTime": 4.0e-3, + "pusher": ["Neutral", "Neutral"], "WeightingScheme": "Volume" }, "interactions": { diff --git a/runs/Argon_Expansion/nocoll_case.json b/runs/Argon_Expansion/nocoll_case.json index 55dceb5..094fb80 100644 --- a/runs/Argon_Expansion/nocoll_case.json +++ b/runs/Argon_Expansion/nocoll_case.json @@ -7,7 +7,8 @@ "folder": "Nocoll_case" }, "geometry": { - "type": "2DCyl", + "dimension": 2, + "type": "Cyl", "meshType": "gmsh2", "meshFile": "mesh.msh" }, @@ -41,10 +42,10 @@ "temperature": 300.0, "radius": 1.88e-10 }, - "case": { + "solver": { "tau": [1.0e-6, 1.0e-6], - "time": 4.0e-3, - "pusher": ["2DCylNeutral", "2DCylNeutral"], + "finalTime": 4.0e-3, + "pusher": ["Neutral", "Neutral"], "WeightingScheme": "Volume" }, "parallel": { diff --git a/runs/cylFlow/input.json b/runs/cylFlow/input.json index 88029a2..677206e 100644 --- a/runs/cylFlow/input.json +++ b/runs/cylFlow/input.json @@ -6,7 +6,8 @@ "numColl": true }, "geometry": { - "type": "2DCyl", + "dimension": 2, + "type": "Cyl", "meshType": "gmsh2", "meshFile": "meshSingle.msh" }, @@ -40,10 +41,10 @@ "temperature": 300.0, "radius": 1.88e-10 }, - "case": { + "solver": { "tau": [5.0e-7], - "time": 1.0e-3, - "pusher": ["2DCylNeutral"], + "finalTime": 1.0e-3, + "pusher": ["Neutral"], "WeightingScheme": "Volume" }, "interactions": { diff --git a/runs/cylFlow/inputDualMesh.json b/runs/cylFlow/inputDualMesh.json index 1f2d146..42d539c 100644 --- a/runs/cylFlow/inputDualMesh.json +++ b/runs/cylFlow/inputDualMesh.json @@ -6,9 +6,11 @@ "numColl": true }, "geometry": { - "type": "2DCyl", + "dimension": 2, + "type": "Cyl", "meshType": "gmsh2", - "meshFile": "mesh.msh" + "meshFile": "mesh.msh", + "meshCollisions": "meshColl.msh" }, "species": [ {"name": "Argon", "type": "neutral", "mass": 6.633e-26, "weight": 5.0e8} @@ -40,15 +42,14 @@ "temperature": 300.0, "radius": 1.88e-10 }, - "case": { + "solver": { "tau": [5.0e-7], - "time": 1.0e-3, - "pusher": ["2DCylNeutral"], + "finalTime": 1.0e-3, + "pusher": ["Neutral"], "WeightingScheme": "Volume" }, "interactions": { "folderCollisions": "./data/collisions/", - "meshCollisions": "meshColl.msh", "collisions": [ {"species_i": "Argon", "species_j": "Argon", "cTypes": [ diff --git a/runs/cylFlow/mesh.msh.opt b/runs/cylFlow/mesh.msh.opt deleted file mode 100644 index b720b92..0000000 --- a/runs/cylFlow/mesh.msh.opt +++ /dev/null @@ -1,629 +0,0 @@ -General.AxesFormatX = "%.3g"; -General.AxesFormatY = "%.3g"; -General.AxesFormatZ = "%.3g"; -General.AxesLabelX = "z (m)"; -General.AxesLabelY = "r (m)"; -General.AxesLabelZ = ""; -General.BackgroundImageFileName = ""; -General.BuildOptions = " 64Bit ALGLIB Bamg Blas Blossom DIntegration Dlopen DomHex Fltk GMP Gmm[system] Hxt Hxt3D Jpeg Kbipack Lapack LinuxJoystick MathEx Mesh Metis[system] Mmg3d Mpeg NativeFileChooser Netgen ONELAB ONELABMetamodel OpenCASCADE OpenCASCADE-CAF OpenGL OpenMP OptHom Parser Plugins Png Post QuadTri Solver TetGen/BR Zlib"; -General.DefaultFileName = "untitled.geo"; -General.Display = ""; -General.ErrorFileName = ".gmsh-errors"; -General.ExecutableFileName = "/usr/bin/gmsh"; -General.FileName = "/home/jorge/PPartiC/runs/cylFlow/mesh.msh"; -General.FltkTheme = ""; -General.GraphicsFont = "Helvetica"; -General.GraphicsFontEngine = "Native"; -General.GraphicsFontTitle = "Helvetica"; -General.OptionsFileName = ".gmsh-options"; -General.RecentFile0 = "/home/jorge/PPartiC/runs/cylFlow/mesh.msh"; -General.RecentFile1 = "untitled.geo"; -General.RecentFile2 = "mesh/Neutral_Expansion_Div.geo"; -General.RecentFile3 = "mesh/Neutral_Expansion_Div.msh"; -General.RecentFile4 = "Neutral_Expansion_Div.msh"; -General.RecentFile5 = "Neutral_Expansion.geo"; -General.RecentFile6 = "Neutral_Expansion_Div.geo"; -General.RecentFile7 = "/home/jorge/Dropbox/UPMPlasmaLab/Post-Doc/Codes/PICCIL2D/PIC-FEM/Neutral_Expansion_Div.msh"; -General.RecentFile8 = "Neutral_Expansion.msh"; -General.RecentFile9 = "/home/jorge/Dropbox/UPMPlasmaLab/Post-Doc/Codes/PICCIL2D/PIC-FEM/Neutral_Expansion.msh"; -General.TextEditor = "gedit '%s'"; -General.TmpFileName = ".gmsh-tmp"; -General.Version = "4.4.1"; -General.WatchFilePattern = ""; -General.AlphaBlending = 1; -General.Antialiasing = 0; -General.ArrowHeadRadius = 0.12; -General.ArrowStemLength = 0.5600000000000001; -General.ArrowStemRadius = 0.02; -General.Axes = 1; -General.AxesMikado = 0; -General.AxesAutoPosition = 1; -General.AxesForceValue = 0; -General.AxesMaxX = 1; -General.AxesMaxY = 1; -General.AxesMaxZ = 1; -General.AxesMinX = 0; -General.AxesMinY = 0; -General.AxesMinZ = 0; -General.AxesTicsX = 8; -General.AxesTicsY = 4; -General.AxesTicsZ = 5; -General.AxesValueMaxX = 1; -General.AxesValueMaxY = 1; -General.AxesValueMaxZ = 1; -General.AxesValueMinX = 0; -General.AxesValueMinY = 0; -General.AxesValueMinZ = 0; -General.BackgroundGradient = 1; -General.BackgroundImage3D = 0; -General.BackgroundImagePage = 0; -General.BackgroundImagePositionX = 0; -General.BackgroundImagePositionY = 0; -General.BackgroundImageWidth = -1; -General.BackgroundImageHeight = -1; -General.BoundingBoxSize = 0.07615773105863909; -General.Camera = 0; -General.CameraAperture = 40; -General.CameraEyeSeparationRatio = 1.5; -General.CameraFocalLengthRatio = 1; -General.Clip0A = 1; -General.Clip0B = 0; -General.Clip0C = 0; -General.Clip0D = 0; -General.Clip1A = 0; -General.Clip1B = 1; -General.Clip1C = 0; -General.Clip1D = 0; -General.Clip2A = 0; -General.Clip2B = 0; -General.Clip2C = 1; -General.Clip2D = 0; -General.Clip3A = -1; -General.Clip3B = 0; -General.Clip3C = 0; -General.Clip3D = 1; -General.Clip4A = 0; -General.Clip4B = -1; -General.Clip4C = 0; -General.Clip4D = 1; -General.Clip5A = 0; -General.Clip5B = 0; -General.Clip5C = -1; -General.Clip5D = 1; -General.ClipFactor = 5; -General.ClipOnlyDrawIntersectingVolume = 0; -General.ClipOnlyVolume = 0; -General.ClipPositionX = 650; -General.ClipPositionY = 150; -General.ClipWholeElements = 0; -General.ColorScheme = 1; -General.ConfirmOverwrite = 1; -General.ContextPositionX = 235; -General.ContextPositionY = 962; -General.DetachedMenu = 0; -General.DisplayBorderFactor = 0.2; -General.DoubleBuffer = 1; -General.DrawBoundingBoxes = 0; -General.ExpertMode = 0; -General.ExtraPositionX = 650; -General.ExtraPositionY = 350; -General.ExtraHeight = 100; -General.ExtraWidth = 100; -General.FastRedraw = 0; -General.FieldPositionX = 650; -General.FieldPositionY = 550; -General.FieldHeight = 488; -General.FieldWidth = 651; -General.FileChooserPositionX = 200; -General.FileChooserPositionY = 200; -General.FltkColorScheme = 0; -General.FontSize = -1; -General.GraphicsFontSize = 15; -General.GraphicsFontSizeTitle = 18; -General.GraphicsHeight = 1003; -General.GraphicsPositionX = 274; -General.GraphicsPositionY = 263; -General.GraphicsWidth = 1920; -General.HighOrderToolsPositionX = 650; -General.HighOrderToolsPositionY = 150; -General.HighResolutionGraphics = 1; -General.HighResolutionPointSizeFactor = 2; -General.InitialModule = 0; -General.InputScrolling = 1; -General.Light0 = 1; -General.Light0X = 0.65; -General.Light0Y = 0.65; -General.Light0Z = 1; -General.Light0W = 0; -General.Light1 = 0; -General.Light1X = 0.5; -General.Light1Y = 0.3; -General.Light1Z = 1; -General.Light1W = 0; -General.Light2 = 0; -General.Light2X = 0.5; -General.Light2Y = 0.3; -General.Light2Z = 1; -General.Light2W = 0; -General.Light3 = 0; -General.Light3X = 0.5; -General.Light3Y = 0.3; -General.Light3Z = 1; -General.Light3W = 0; -General.Light4 = 0; -General.Light4X = 0.5; -General.Light4Y = 0.3; -General.Light4Z = 1; -General.Light4W = 0; -General.Light5 = 0; -General.Light5X = 0.5; -General.Light5Y = 0.3; -General.Light5Z = 1; -General.Light5W = 0; -General.LineWidth = 1; -General.ManipulatorPositionX = 650; -General.ManipulatorPositionY = 150; -General.MaxX = 0.07000000000000001; -General.MaxY = 0.03; -General.MaxZ = 0; -General.MenuWidth = 219; -General.MenuHeight = 200; -General.MenuPositionX = 400; -General.MenuPositionY = 400; -General.MessageFontSize = -1; -General.MessageHeight = 300; -General.MinX = 0; -General.MinY = 0; -General.MinZ = 0; -General.MouseHoverMeshes = 0; -General.MouseSelection = 1; -General.MouseInvertZoom = 0; -General.NonModalWindows = 1; -General.NoPopup = 0; -General.NumThreads = 1; -General.OptionsPositionX = 827; -General.OptionsPositionY = 541; -General.Orthographic = 1; -General.PluginPositionX = 58; -General.PluginPositionY = 658; -General.PluginHeight = 488; -General.PluginWidth = 708; -General.PointSize = 3; -General.PolygonOffsetAlwaysOn = 0; -General.PolygonOffsetFactor = 1; -General.PolygonOffsetUnits = 1; -General.ProgressMeterStep = 20; -General.QuadricSubdivisions = 6; -General.RotationX = -0; -General.RotationY = 0; -General.RotationZ = -0; -General.RotationCenterGravity = 1; -General.RotationCenterX = 0; -General.RotationCenterY = 0; -General.RotationCenterZ = 0; -General.SaveOptions = 0; -General.SaveSession = 1; -General.ScaleX = 1; -General.ScaleY = 1; -General.ScaleZ = 1; -General.Shininess = 0.4; -General.ShininessExponent = 40; -General.ShowModuleMenu = 1; -General.ShowOptionsOnStartup = 0; -General.ShowMessagesOnStartup = 0; -General.SmallAxes = 1; -General.SmallAxesPositionX = -60; -General.SmallAxesPositionY = -40; -General.SmallAxesSize = 30; -General.StatisticsPositionX = 650; -General.StatisticsPositionY = 150; -General.Stereo = 0; -General.SystemMenuBar = 1; -General.Terminal = 0; -General.Tooltips = 1; -General.Trackball = 1; -General.TrackballHyperbolicSheet = 1; -General.TrackballQuaternion0 = 0; -General.TrackballQuaternion1 = 0; -General.TrackballQuaternion2 = 0; -General.TrackballQuaternion3 = 1; -General.TranslationX = 0; -General.TranslationY = 0; -General.TranslationZ = 0; -General.VectorType = 4; -General.Verbosity = 5; -General.VisibilityPositionX = 1118; -General.VisibilityPositionY = 464; -General.ZoomFactor = 4; -General.Color.Background = {255,255,255}; -General.Color.BackgroundGradient = {208,215,255}; -General.Color.Foreground = {85,85,85}; -General.Color.Text = {0,0,0}; -General.Color.Axes = {0,0,0}; -General.Color.SmallAxes = {0,0,0}; -General.Color.AmbientLight = {25,25,25}; -General.Color.DiffuseLight = {255,255,255}; -General.Color.SpecularLight = {255,255,255}; -Geometry.DoubleClickedPointCommand = ""; -Geometry.DoubleClickedLineCommand = ""; -Geometry.DoubleClickedSurfaceCommand = ""; -Geometry.DoubleClickedVolumeCommand = ""; -Geometry.OCCTargetUnit = ""; -Geometry.AutoCoherence = 1; -Geometry.Clip = 0; -Geometry.CopyMeshingMethod = 0; -Geometry.DoubleClickedEntityTag = 0; -Geometry.ExactExtrusion = 1; -Geometry.ExtrudeReturnLateralEntities = 1; -Geometry.ExtrudeSplinePoints = 5; -Geometry.HighlightOrphans = 0; -Geometry.LabelType = 0; -Geometry.Light = 1; -Geometry.LightTwoSide = 1; -Geometry.Lines = 1; -Geometry.LineNumbers = 0; -Geometry.LineSelectWidth = 3; -Geometry.LineType = 0; -Geometry.LineWidth = 2; -Geometry.MatchGeomAndMesh = 0; -Geometry.MatchMeshScaleFactor = 1; -Geometry.MatchMeshTolerance = 1e-06; -Geometry.Normals = 0; -Geometry.NumSubEdges = 40; -Geometry.OCCAutoFix = 1; -Geometry.OCCBooleanPreserveNumbering = 1; -Geometry.OCCDisableSTL = 0; -Geometry.OCCFixDegenerated = 0; -Geometry.OCCFixSmallEdges = 0; -Geometry.OCCFixSmallFaces = 0; -Geometry.OCCImportLabels = 1; -Geometry.OCCParallel = 0; -Geometry.OCCScaling = 1; -Geometry.OCCSewFaces = 0; -Geometry.OffsetX = 0; -Geometry.OffsetY = 0; -Geometry.OffsetZ = 0; -Geometry.OldCircle = 0; -Geometry.OldRuledSurface = 0; -Geometry.OldNewReg = 1; -Geometry.Points = 1; -Geometry.PointNumbers = 0; -Geometry.PointSelectSize = 6; -Geometry.PointSize = 4; -Geometry.PointType = 0; -Geometry.ReparamOnFaceRobust = 0; -Geometry.ScalingFactor = 1; -Geometry.OrientedPhysicals = 1; -Geometry.SnapX = 0.1; -Geometry.SnapY = 0.1; -Geometry.SnapZ = 0.1; -Geometry.Surfaces = 0; -Geometry.SurfaceNumbers = 0; -Geometry.SurfaceType = 0; -Geometry.Tangents = 0; -Geometry.Tolerance = 1e-08; -Geometry.ToleranceBoolean = 0; -Geometry.Transform = 0; -Geometry.TransformXX = 1; -Geometry.TransformXY = 0; -Geometry.TransformXZ = 0; -Geometry.TransformYX = 0; -Geometry.TransformYY = 1; -Geometry.TransformYZ = 0; -Geometry.TransformZX = 0; -Geometry.TransformZY = 0; -Geometry.TransformZZ = 1; -Geometry.Volumes = 0; -Geometry.VolumeNumbers = 0; -Geometry.Color.Points = {90,90,90}; -Geometry.Color.Lines = {0,0,255}; -Geometry.Color.Surfaces = {128,128,128}; -Geometry.Color.Volumes = {255,255,0}; -Geometry.Color.Selection = {255,0,0}; -Geometry.Color.HighlightZero = {255,0,0}; -Geometry.Color.HighlightOne = {255,150,0}; -Geometry.Color.HighlightTwo = {255,255,0}; -Geometry.Color.Tangents = {255,255,0}; -Geometry.Color.Normals = {255,0,0}; -Geometry.Color.Projection = {0,255,0}; -Mesh.Algorithm = 2; -Mesh.Algorithm3D = 1; -Mesh.AngleSmoothNormals = 30; -Mesh.AngleToleranceFacetOverlap = 0.1; -Mesh.AnisoMax = 9.999999999999999e+32; -Mesh.AllowSwapAngle = 10; -Mesh.BdfFieldFormat = 1; -Mesh.Binary = 0; -Mesh.BoundaryLayerFanPoints = 5; -Mesh.CgnsImportOrder = 1; -Mesh.CgnsConstructTopology = 0; -Mesh.CharacteristicLengthExtendFromBoundary = 1; -Mesh.CharacteristicLengthFactor = 1; -Mesh.CharacteristicLengthMin = 0; -Mesh.CharacteristicLengthMax = 1e+22; -Mesh.CharacteristicLengthFromCurvature = 0; -Mesh.CharacteristicLengthFromPoints = 1; -Mesh.Clip = 0; -Mesh.ColorCarousel = 0; -Mesh.CompoundClassify = 1; -Mesh.CompoundCharacteristicLengthFactor = 0.5; -Mesh.CpuTime = 0; -Mesh.DrawSkinOnly = 0; -Mesh.Dual = 0; -Mesh.ElementOrder = 1; -Mesh.Explode = 1; -Mesh.FlexibleTransfinite = 0; -Mesh.NewtonConvergenceTestXYZ = 0; -Mesh.Format = 10; -Mesh.Hexahedra = 1; -Mesh.HighOrderIterMax = 100; -Mesh.HighOrderNumLayers = 6; -Mesh.HighOrderOptimize = 0; -Mesh.HighOrderPassMax = 25; -Mesh.HighOrderPeriodic = 0; -Mesh.HighOrderPoissonRatio = 0.33; -Mesh.HighOrderPrimSurfMesh = 0; -Mesh.HighOrderDistCAD = 0; -Mesh.HighOrderThresholdMin = 0.1; -Mesh.HighOrderThresholdMax = 2; -Mesh.LabelSampling = 1; -Mesh.LabelType = 0; -Mesh.LcIntegrationPrecision = 1e-09; -Mesh.Light = 1; -Mesh.LightLines = 2; -Mesh.LightTwoSide = 1; -Mesh.Lines = 1; -Mesh.LineNumbers = 0; -Mesh.LineWidth = 1; -Mesh.MaxNumThreads1D = 0; -Mesh.MaxNumThreads2D = 0; -Mesh.MaxNumThreads3D = 0; -Mesh.MeshOnlyVisible = 0; -Mesh.MetisAlgorithm = 1; -Mesh.MetisEdgeMatching = 2; -Mesh.MetisMaxLoadImbalance = -1; -Mesh.MetisObjective = 1; -Mesh.MetisMinConn = -1; -Mesh.MetisRefinementAlgorithm = 2; -Mesh.MinimumCirclePoints = 7; -Mesh.MinimumCurvePoints = 3; -Mesh.MshFileVersion = 4.1; -Mesh.MedFileMinorVersion = -1; -Mesh.MedImportGroupsOfNodes = 0; -Mesh.MedSingleModel = 0; -Mesh.PartitionHexWeight = -1; -Mesh.PartitionLineWeight = -1; -Mesh.PartitionPrismWeight = -1; -Mesh.PartitionPyramidWeight = -1; -Mesh.PartitionQuadWeight = -1; -Mesh.PartitionTrihedronWeight = 0; -Mesh.PartitionTetWeight = -1; -Mesh.PartitionTriWeight = -1; -Mesh.PartitionCreateTopology = 1; -Mesh.PartitionCreatePhysicals = 1; -Mesh.PartitionCreateGhostCells = 0; -Mesh.PartitionSplitMeshFiles = 0; -Mesh.PartitionTopologyFile = 0; -Mesh.PartitionOldStyleMsh2 = 1; -Mesh.NbHexahedra = 0; -Mesh.NbNodes = 27248; -Mesh.NbPartitions = 0; -Mesh.NbPrisms = 0; -Mesh.NbPyramids = 0; -Mesh.NbTrihedra = 0; -Mesh.NbQuadrangles = 26877; -Mesh.NbTetrahedra = 0; -Mesh.NbTriangles = 0; -Mesh.Normals = 0; -Mesh.NumSubEdges = 2; -Mesh.Optimize = 1; -Mesh.OptimizeThreshold = 0.3; -Mesh.OptimizeNetgen = 0; -Mesh.Points = 0; -Mesh.PointNumbers = 0; -Mesh.PointSize = 4; -Mesh.PointType = 0; -Mesh.Prisms = 1; -Mesh.Pyramids = 1; -Mesh.Trihedra = 1; -Mesh.Quadrangles = 1; -Mesh.QualityInf = 0; -Mesh.QualitySup = 0; -Mesh.QualityType = 2; -Mesh.RadiusInf = 0; -Mesh.RadiusSup = 0; -Mesh.RandomFactor = 1e-09; -Mesh.RandomFactor3D = 1e-12; -Mesh.RandomSeed = 1; -Mesh.PreserveNumberingMsh2 = 0; -Mesh.IgnorePeriodicity = 0; -Mesh.RecombinationAlgorithm = 1; -Mesh.RecombineAll = 0; -Mesh.RecombineOptimizeTopology = 5; -Mesh.Recombine3DAll = 0; -Mesh.Recombine3DLevel = 0; -Mesh.Recombine3DConformity = 0; -Mesh.RefineSteps = 10; -Mesh.Renumber = 1; -Mesh.SaveAll = 0; -Mesh.SaveElementTagType = 1; -Mesh.SaveTopology = 0; -Mesh.SaveParametric = 0; -Mesh.SaveGroupsOfNodes = 0; -Mesh.ScalingFactor = 1; -Mesh.SecondOrderExperimental = 0; -Mesh.SecondOrderIncomplete = 0; -Mesh.SecondOrderLinear = 0; -Mesh.Smoothing = 1; -Mesh.SmoothCrossField = 0; -Mesh.CrossFieldClosestPoint = 1; -Mesh.SmoothNormals = 0; -Mesh.SmoothRatio = 1.8; -Mesh.StlOneSolidPerSurface = 0; -Mesh.StlRemoveDuplicateTriangles = 0; -Mesh.SubdivisionAlgorithm = 0; -Mesh.SurfaceEdges = 0; -Mesh.SurfaceFaces = 0; -Mesh.SurfaceNumbers = 0; -Mesh.SwitchElementTags = 0; -Mesh.Tangents = 0; -Mesh.Tetrahedra = 1; -Mesh.ToleranceEdgeLength = 0; -Mesh.ToleranceInitialDelaunay = 1e-08; -Mesh.Triangles = 1; -Mesh.UnvStrictFormat = 1; -Mesh.VolumeEdges = 1; -Mesh.VolumeFaces = 0; -Mesh.VolumeNumbers = 0; -Mesh.Voronoi = 0; -Mesh.ZoneDefinition = 0; -Mesh.Color.Points = {0,0,255}; -Mesh.Color.PointsSup = {255,0,255}; -Mesh.Color.Lines = {0,0,0}; -Mesh.Color.Triangles = {160,150,255}; -Mesh.Color.Quadrangles = {130,120,225}; -Mesh.Color.Tetrahedra = {160,150,255}; -Mesh.Color.Hexahedra = {130,120,225}; -Mesh.Color.Prisms = {232,210,23}; -Mesh.Color.Pyramids = {217,113,38}; -Mesh.Color.Trihedra = {20,255,0}; -Mesh.Color.Tangents = {255,255,0}; -Mesh.Color.Normals = {255,0,0}; -Mesh.Color.Zero = {255,120,0}; -Mesh.Color.One = {0,255,132}; -Mesh.Color.Two = {255,160,0}; -Mesh.Color.Three = {0,255,192}; -Mesh.Color.Four = {255,200,0}; -Mesh.Color.Five = {0,216,255}; -Mesh.Color.Six = {255,240,0}; -Mesh.Color.Seven = {0,176,255}; -Mesh.Color.Eight = {228,255,0}; -Mesh.Color.Nine = {0,116,255}; -Mesh.Color.Ten = {188,255,0}; -Mesh.Color.Eleven = {0,76,255}; -Mesh.Color.Twelve = {148,255,0}; -Mesh.Color.Thirteen = {24,0,255}; -Mesh.Color.Fourteen = {108,255,0}; -Mesh.Color.Fifteen = {84,0,255}; -Mesh.Color.Sixteen = {68,255,0}; -Mesh.Color.Seventeen = {104,0,255}; -Mesh.Color.Eighteen = {0,255,52}; -Mesh.Color.Nineteen = {184,0,255}; -Solver.Executable0 = ""; -Solver.Executable1 = ""; -Solver.Executable2 = ""; -Solver.Executable3 = ""; -Solver.Executable4 = ""; -Solver.Executable5 = ""; -Solver.Executable6 = ""; -Solver.Executable7 = ""; -Solver.Executable8 = ""; -Solver.Executable9 = ""; -Solver.Name0 = "GetDP"; -Solver.Name1 = ""; -Solver.Name2 = ""; -Solver.Name3 = ""; -Solver.Name4 = ""; -Solver.Name5 = ""; -Solver.Name6 = ""; -Solver.Name7 = ""; -Solver.Name8 = ""; -Solver.Name9 = ""; -Solver.Extension0 = ".pro"; -Solver.Extension1 = ""; -Solver.Extension2 = ""; -Solver.Extension3 = ""; -Solver.Extension4 = ""; -Solver.Extension5 = ""; -Solver.Extension6 = ""; -Solver.Extension7 = ""; -Solver.Extension8 = ""; -Solver.Extension9 = ""; -Solver.OctaveInterpreter = "octave"; -Solver.PythonInterpreter = "python"; -Solver.RemoteLogin0 = ""; -Solver.RemoteLogin1 = ""; -Solver.RemoteLogin2 = ""; -Solver.RemoteLogin3 = ""; -Solver.RemoteLogin4 = ""; -Solver.RemoteLogin5 = ""; -Solver.RemoteLogin6 = ""; -Solver.RemoteLogin7 = ""; -Solver.RemoteLogin8 = ""; -Solver.RemoteLogin9 = ""; -Solver.SocketName = ".gmshsock"; -Solver.AlwaysListen = 0; -Solver.AutoArchiveOutputFiles = 0; -Solver.AutoCheck = 1; -Solver.AutoLoadDatabase = 0; -Solver.AutoSaveDatabase = 1; -Solver.AutoMesh = 2; -Solver.AutoMergeFile = 1; -Solver.AutoShowViews = 2; -Solver.AutoShowLastStep = 1; -Solver.Plugins = 0; -Solver.ShowInvisibleParameters = 0; -Solver.Timeout = 5; -PostProcessing.DoubleClickedGraphPointCommand = ""; -PostProcessing.GraphPointCommand = ""; -PostProcessing.AnimationDelay = 0.1; -PostProcessing.AnimationCycle = 0; -PostProcessing.AnimationStep = 1; -PostProcessing.CombineRemoveOriginal = 1; -PostProcessing.DoubleClickedGraphPointX = 0; -PostProcessing.DoubleClickedGraphPointY = 0; -PostProcessing.DoubleClickedView = 0; -PostProcessing.ForceElementData = 0; -PostProcessing.ForceNodeData = 0; -PostProcessing.Format = 10; -PostProcessing.GraphPointX = 0; -PostProcessing.GraphPointY = 0; -PostProcessing.HorizontalScales = 1; -PostProcessing.Link = 0; -PostProcessing.NbViews = 0; -PostProcessing.Plugins = 1; -PostProcessing.SaveInterpolationMatrices = 1; -PostProcessing.SaveMesh = 1; -PostProcessing.Smoothing = 0; -Print.ParameterCommand = "Mesh.Clip=1; View.Clip=1; General.ClipWholeElements=1; General.Clip0D=Print.Parameter; SetChanged;"; -Print.Parameter = 0; -Print.ParameterFirst = -1; -Print.ParameterLast = 1; -Print.ParameterSteps = 10; -Print.Background = 0; -Print.CompositeWindows = 0; -Print.PgfTwoDim = 1; -Print.PgfExportAxis = 0; -Print.PgfHorizontalBar = 0; -Print.DeleteTemporaryFiles = 1; -Print.EpsBestRoot = 1; -Print.EpsCompress = 0; -Print.EpsLineWidthFactor = 1; -Print.EpsOcclusionCulling = 1; -Print.EpsPointSizeFactor = 1; -Print.EpsPS3Shading = 0; -Print.EpsQuality = 1; -Print.Format = 10; -Print.GeoLabels = 1; -Print.GeoOnlyPhysicals = 0; -Print.GifDither = 0; -Print.GifInterlace = 0; -Print.GifSort = 1; -Print.GifTransparent = 0; -Print.Height = -1; -Print.JpegQuality = 100; -Print.JpegSmoothing = 0; -Print.PostElementary = 1; -Print.PostElement = 0; -Print.PostGamma = 0; -Print.PostEta = 0; -Print.PostSICN = 0; -Print.PostSIGE = 0; -Print.PostDisto = 0; -Print.TexAsEquation = 0; -Print.Text = 1; -Print.X3dCompatibility = 0; -Print.X3dPrecision = 1e-09; -Print.X3dRemoveInnerBorders = 0; -Print.X3dTransparency = 0; -Print.Width = -1; diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 index d6fe4d7..0a3a557 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 @@ -67,24 +67,35 @@ MODULE moduleMeshInputGmsh2 !Read the nodes information DO e = 1, self%numNodes READ(10, *) n, r(1), r(2), r(3) - SELECT CASE(self%geometry) - CASE("3DCart") + SELECT CASE(self%dimen) + CASE(3) ALLOCATE(meshNode3Dcart::self%nodes(n)%obj) + self%connectMesh => connectMesh3DCart - CASE("2DCyl") - ALLOCATE(meshNode2DCyl:: self%nodes(n)%obj) + CASE(2) + SELECT CASE(self%geometry) + CASE("Cyl") + ALLOCATE(meshNode2DCyl:: self%nodes(n)%obj) + self%connectMesh => connectMesh2DCyl + + CASE("Cart") + ALLOCATE(meshNode2DCart:: self%nodes(n)%obj) + self%connectMesh => connectMesh2DCart + + END SELECT r(3) = 0.D0 - CASE("2DCart") - ALLOCATE(meshNode2DCart:: self%nodes(n)%obj) - r(3) = 0.D0 + CASE(1) + SELECT CASE(self%geometry) + CASE("Rad") + ALLOCATE(meshNode1DRad:: self%nodes(n)%obj) + self%connectMesh => connectMesh1DRad - CASE("1DRad") - ALLOCATE(meshNode1DRad:: self%nodes(n)%obj) - r(2:3) = 0.D0 + CASE("Cart") + ALLOCATE(meshNode1DCart:: self%nodes(n)%obj) + self%connectMesh => connectMesh1DCart - CASE("1DCart") - ALLOCATE(meshNode1DCart:: self%nodes(n)%obj) + END SELECT r(2:3) = 0.D0 END SELECT @@ -92,7 +103,6 @@ MODULE moduleMeshInputGmsh2 END DO - !Skip comments READ(10, *) READ(10, *) @@ -106,16 +116,16 @@ MODULE moduleMeshInputGmsh2 self%numEdges = 0 DO e = 1, totalNumElem READ(10, *) eTemp, elemType - SELECT CASE(self%geometry) - CASE("3DCart") + SELECT CASE(self%dimen) + CASE(3) !Element type 2 is triangle in gmsh IF (elemType == 2) self%numEdges = e - CASE("2DCyl","2DCart") + CASE(2) !Element type 1 is segment in Gmsh IF (elemType == 1) self%numEdges = e - CASE("1DRad","1DCart") + CASE(1) !Element type 15 is physical point in Gmsh IF (elemType == 15) self%numEdges = e @@ -148,8 +158,8 @@ MODULE moduleMeshInputGmsh2 !Reads edges DO e=1, self%numEdges !Reads the edge according to the geometry - SELECT CASE(self%geometry) - CASE("3DCart") + SELECT CASE(self%dimen) + CASE(3) READ(10, *) n, elemType, eTemp, boundaryType BACKSPACE(10) @@ -167,41 +177,49 @@ MODULE moduleMeshInputGmsh2 END SELECT - CASE("2DCyl") - ALLOCATE(p(1:2)) + CASE (2) + SELECT CASE(self%geometry) + CASE("Cyl") + ALLOCATE(p(1:2)) - READ(10,*) n, elemType, eTemp, boundaryType, eTemp, p(1:2) - !Associate boundary condition procedure. - bt = getBoundaryId(boundaryType) + READ(10,*) n, elemType, eTemp, boundaryType, eTemp, p(1:2) + !Associate boundary condition procedure. + bt = getBoundaryId(boundaryType) - ALLOCATE(meshEdge2DCyl:: self%edges(e)%obj) + ALLOCATE(meshEdge2DCyl:: self%edges(e)%obj) - CASE("2DCart") - ALLOCATE(p(1:2)) + CASE("Cart") + ALLOCATE(p(1:2)) - READ(10,*) n, elemType, eTemp, boundaryType, eTemp, p(1:2) - !Associate boundary condition procedure. - bt = getBoundaryId(boundaryType) + READ(10,*) n, elemType, eTemp, boundaryType, eTemp, p(1:2) + !Associate boundary condition procedure. + bt = getBoundaryId(boundaryType) - ALLOCATE(meshEdge2DCart:: self%edges(e)%obj) + ALLOCATE(meshEdge2DCart:: self%edges(e)%obj) - CASE("1DRad") - ALLOCATE(p(1:1)) + END SELECT - READ(10, *) n, elemType, eTemp, boundaryType, eTemp, p(1) - !Associate boundary condition - bt = getBoundaryId(boundaryType) + CASE(1) + SELECT CASE(self%geometry) + CASE("Rad") + ALLOCATE(p(1:1)) - ALLOCATE(meshEdge1DRad:: self%edges(e)%obj) + READ(10, *) n, elemType, eTemp, boundaryType, eTemp, p(1) + !Associate boundary condition + bt = getBoundaryId(boundaryType) - CASE("1DCart") - ALLOCATE(p(1:1)) + ALLOCATE(meshEdge1DRad:: self%edges(e)%obj) - READ(10, *) n, elemType, eTemp, boundaryType, eTemp, p(1) - !Associate boundary condition - bt = getBoundaryId(boundaryType) + CASE("Cart") + ALLOCATE(p(1:1)) - ALLOCATE(meshEdge1DCart:: self%edges(e)%obj) + READ(10, *) n, elemType, eTemp, boundaryType, eTemp, p(1) + !Associate boundary condition + bt = getBoundaryId(boundaryType) + + ALLOCATE(meshEdge1DCart:: self%edges(e)%obj) + + END SELECT END SELECT @@ -215,8 +233,8 @@ MODULE moduleMeshInputGmsh2 !Read and initialize volumes DO e = 1, self%numVols !Reads the volume according to the geometry - SELECT CASE(self%geometry) - CASE("3DCart") + SELECT CASE(self%dimen) + CASE(3) READ(10, *) n, elemType BACKSPACE(10) @@ -229,56 +247,64 @@ MODULE moduleMeshInputGmsh2 END SELECT - CASE("2DCyl") - READ(10,*) n, elemType - BACKSPACE(10) + CASE(2) + SELECT CASE(self%geometry) + CASE("Cyl") + READ(10,*) n, elemType + BACKSPACE(10) - SELECT CASE(elemType) - CASE (2) - !Triangular element - ALLOCATE(p(1:3)) - READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:3) - ALLOCATE(meshVol2DCylTria:: self%vols(e)%obj) + SELECT CASE(elemType) + CASE (2) + !Triangular element + ALLOCATE(p(1:3)) + READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:3) + ALLOCATE(meshVol2DCylTria:: self%vols(e)%obj) - CASE (3) - !Quadrilateral element - ALLOCATE(p(1:4)) - READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:4) - ALLOCATE(meshVol2DCylQuad:: self%vols(e)%obj) + CASE (3) + !Quadrilateral element + ALLOCATE(p(1:4)) + READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:4) + ALLOCATE(meshVol2DCylQuad:: self%vols(e)%obj) + + END SELECT + + CASE("Cart") + READ(10,*) n, elemType + BACKSPACE(10) + + SELECT CASE(elemType) + CASE (2) + !Triangular element + ALLOCATE(p(1:3)) + READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:3) + ALLOCATE(meshVol2DCartTria:: self%vols(e)%obj) + + CASE (3) + !Quadrilateral element + ALLOCATE(p(1:4)) + READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:4) + ALLOCATE(meshVol2DCartQuad:: self%vols(e)%obj) + + END SELECT END SELECT - CASE("2DCart") - READ(10,*) n, elemType - BACKSPACE(10) + CASE(1) + SELECT CASE(self%geometry) + CASE("Rad") + ALLOCATE(p(1:2)) - SELECT CASE(elemType) - CASE (2) - !Triangular element - ALLOCATE(p(1:3)) - READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:3) - ALLOCATE(meshVol2DCartTria:: self%vols(e)%obj) + READ(10, *) n, elemType, eTemp, eTemp, eTemp, p(1:2) + ALLOCATE(meshVol1DRadSegm:: self%vols(e)%obj) - CASE (3) - !Quadrilateral element - ALLOCATE(p(1:4)) - READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:4) - ALLOCATE(meshVol2DCartQuad:: self%vols(e)%obj) + CASE("Cart") + ALLOCATE(p(1:2)) + + READ(10, *) n, elemType, eTemp, eTemp, eTemp, p(1:2) + ALLOCATE(meshVol1DCartSegm:: self%vols(e)%obj) END SELECT - CASE("1DRad") - ALLOCATE(p(1:2)) - - READ(10, *) n, elemType, eTemp, eTemp, eTemp, p(1:2) - ALLOCATE(meshVol1DRadSegm:: self%vols(e)%obj) - - CASE("1DCart") - ALLOCATE(p(1:2)) - - READ(10, *) n, elemType, eTemp, eTemp, eTemp, p(1:2) - ALLOCATE(meshVol1DCartSegm:: self%vols(e)%obj) - END SELECT CALL self%vols(e)%obj%init(n - numEdges, p, self%nodes) @@ -288,6 +314,9 @@ MODULE moduleMeshInputGmsh2 CLOSE(10) + !Call mesh connectivity + CALL self%connectMesh + END SUBROUTINE readGmsh2 !Reads the initial information from an output file for an species diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 77170da..19283b5 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -262,6 +262,8 @@ MODULE moduleMesh !Generic mesh type TYPE, ABSTRACT:: meshGeneric + !Dimension of the mesh + INTEGER:: dimen !Geometry of the mesh CHARACTER(:), ALLOCATABLE:: geometry !Number of elements diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index 56f5f79..d250954 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -40,16 +40,6 @@ MODULE moduleInput CALL readSpecies(config) CALL checkStatus(config, "readSpecies") - !Reads case parameters - CALL verboseError('Reading Case parameters...') - CALL readCase(config) - CALL checkStatus(config, "readCase") - - !Read interactions between species - CALL verboseError('Reading interaction between species...') - CALL readInteractions(config) - CALL checkStatus(config, "readInteractions") - !Read boundaries CALL verboseError('Reading boundary conditions...') CALL readBoundary(config) @@ -60,6 +50,16 @@ MODULE moduleInput CALL readGeometry(config) CALL checkStatus(config, "readGeometry") + !Read solver parameters + CALL verboseError('Reading Solver parameters...') + CALL readSolver(config) + CALL checkStatus(config, "readSolver") + + !Read interactions between species + CALL verboseError('Reading interaction between species...') + CALL readInteractions(config) + CALL checkStatus(config, "readInteractions") + !Read probes CALL verboseError('Reading Probes...') CALL readProbes(config) @@ -85,9 +85,12 @@ MODULE moduleInput !Copies input file to output folder CALL EXECUTE_COMMAND_LINE('cp ' // inputFile // ' ' // path // folder) !Copies particle mesh - CALL EXECUTE_COMMAND_LINE('cp ' // pathMeshParticle // ' ' // path // folder) - IF (doubleMesh) THEN - CALL EXECUTE_COMMAND_LINE('cp ' // pathMeshColl // ' ' // path // folder) + IF (mesh%dimen > 0) THEN + CALL EXECUTE_COMMAND_LINE('cp ' // pathMeshParticle // ' ' // path // folder) + IF (doubleMesh) THEN + CALL EXECUTE_COMMAND_LINE('cp ' // pathMeshColl // ' ' // path // folder) + + END IF END IF @@ -156,7 +159,7 @@ MODULE moduleInput END SUBROUTINE readReference !Reads the specific case parameters - SUBROUTINE readCase(config) + SUBROUTINE readSolver(config) USE moduleRefParam USE moduleErrors USE moduleCaseParam @@ -164,6 +167,7 @@ MODULE moduleInput USE moduleSpecies USE moduleCollisions USE moduleOutput + USE moduleMesh USE json_module IMPLICIT NONE @@ -172,47 +176,67 @@ MODULE moduleInput CHARACTER(:), ALLOCATABLE:: object !simulation final and initial times in [t] REAL(8):: finalTime, initialTime - CHARACTER(:), ALLOCATABLE:: pusherType, WSType + CHARACTER(:), ALLOCATABLE:: pusherType, WSType, EMType INTEGER:: nTau, nSolver INTEGER:: i CHARACTER(2):: iString CHARACTER(1):: tString - object = 'case' + object = 'solver' !Time parameters CALL config%info(object // '.tau', found, n_children = nTau) - IF (.NOT. found .OR. nTau == 0) CALL criticalError('Required parameter tau not found','readCase') + IF (.NOT. found .OR. nTau == 0) THEN + CALL criticalError('Required parameter tau not found','readSolver') + + END IF + ALLOCATE(tau(1:nSpecies)) + DO i = 1, nTau WRITE(iString, '(I2)') i CALL config%get(object // '.tau(' // TRIM(iString) // ')', tau(i), found) END DO + + tauMin = MINVAL(tau(1:nTau)) + IF (nTau < nSpecies) THEN CALL warningError('Using minimum time step for some species') - tau(nTau+1:nSpecies) = MINVAL(tau(1:nTau)) + tau(nTau+1:nSpecies) = tauMin END IF - tauMin = MINVAL(tau) !Gets the simulation final time CALL config%get(object // '.finalTime', finalTime, found) - IF (.NOT. found) CALL criticalError('Required parameter finalTime not found','readCase') + IF (.NOT. found) THEN + CALL criticalError('Required parameter finalTime not found','readSolver') + + END IF !Convert simulation time to number of iterations tFinal = INT(finalTime / tauMin) !Gets the simulation initial time CALL config%get(object // '.initialTime', initialTime, found) - IF (found) tInitial = INT(initialTime / tauMin) + IF (found) THEN + tInitial = INT(initialTime / tauMin) + + END IF !Gest the pusher for each species - CALL config%info(object // '.pusher', found, n_children = nSolver) - IF (.NOT. found .OR. nSolver /= nSpecies) CALL criticalError('Required parameter pusher not found','readCase') + IF (mesh%dimen > 0) THEN + CALL config%info(object // '.pusher', found, n_children = nSolver) + IF (.NOT. found .OR. nSolver /= nSpecies) THEN + CALL criticalError('Required parameter pusher not found','readSolver') + + END IF + + END IF + !Allocates all the pushers for particles ALLOCATE(solver%pusher(1:nSpecies)) !Initialize pushers - DO i = 1, nSolver + DO i = 1, nSpecies WRITE(iString, '(I2)') i CALL config%get(object // '.pusher(' // TRIM(iString) // ')', pusherType, found) @@ -220,23 +244,39 @@ MODULE moduleInput CALL solver%pusher(i)%init(pusherType, tauMin, tau(i)) END DO - - !Gest the non-analogue scheme + + !Get the non-analogue scheme CALL config%get(object // '.WeightingScheme', WSType, found) CALL solver%initWS(WSType) - !Makes tau(s) non-dimensional + !Make tau(s) non-dimensional tau = tau / ti_ref tauMin = tauMin / ti_ref - !Sets the format of output files accordint to iteration number + !Set the format of output files accordint to iteration number iterationDigits = INT(LOG10(REAL(tFinal))) + 1 WRITE(tString, '(I1)') iterationDigits iterationFormat = "(I" // tString // "." // tString // ")" - END SUBROUTINE readCase + !Get EM solver + CALL config%get(object // '.EMSolver', EMType, found) + IF (found) THEN + CALL solver%initEM(EMType) + SELECT CASE(EMType) + CASE("Electrostatic") + !Read BC + CALL readEMBoundary(config) - !Reads the initial information for the species + CASE DEFAULT + CALL criticalError('EM Solver ' // EMType // ' not found', 'readSolver') + + END SELECT + + END IF + + END SUBROUTINE readSolver + + !Read the initial information for the species SUBROUTINE readInitial(config) USE moduleSpecies USE moduleMesh @@ -270,13 +310,13 @@ MODULE moduleInput REAL(8):: vTh TYPE(lNode), POINTER:: partCurr, partNext - CALL config%info('case.initial', found, n_children = nInitial) + CALL config%info('solver.initial', found, n_children = nInitial) IF (found) THEN !Reads the information from initial species DO i = 1, nInitial WRITE(iString, '(I2)') i - object = 'case.initial(' // iString // ')' + object = 'solver.initial(' // iString // ')' CALL config%get(object // '.species', spName, found) sp = speciesName2Index(spName) CALL config%get(object // '.file', spFile, found) @@ -372,7 +412,7 @@ MODULE moduleInput END DO !Convert temporal list of particles into initial partOld array - !Deallocates the list of initial particles + !Deallocate the list of initial particles nNewPart = partInitial%amount IF (nNewPart > 0) THEN ALLOCATE(partOld(1:nNewPart)) @@ -504,13 +544,13 @@ MODULE moduleInput END DO - !Reads relations between species + !Read relations between species DO i = 1, nSpecies WRITE(iString, '(I2)') i object = 'species(' // TRIM(iString) // ')' SELECT TYPE(sp => species(i)%obj) TYPE IS (speciesNeutral) - !Gets species linked ion + !Get species linked ion CALL config%get(object // '.ion', linkName, found) IF (found) THEN linkID = speciesName2Index(linkName) @@ -519,7 +559,7 @@ MODULE moduleInput END IF TYPE IS (speciesCharged) - !Gets species linked neutral + !Get species linked neutral CALL config%get(object // '.neutral', linkName, found) IF (found) THEN linkID = speciesName2Index(linkName) @@ -580,19 +620,6 @@ MODULE moduleInput !Checks if MC collisions have been defined CALL config%info('interactions.collisions', found) IF (found) THEN - !Checks if a mesh for collisions has been defined - !The mesh will be initialized and reader in readGeometry - CALL config%info('interactions.meshCollisions', found) - IF (found) THEN - !Points meshForMCC to the specific mesh defined - meshForMCC => meshColl - - ELSE - !Points the meshForMCC pointer to the Particles Mesh - meshForMCC => mesh - - END IF - !Reads collision time step CALL config%info('interactions.timeStep', found) IF (found) THEN @@ -792,11 +819,6 @@ MODULE moduleInput USE moduleMesh USE moduleMeshInputGmsh2, ONLY: initGmsh2 USE moduleMeshInput0D, ONLY: init0D - USE moduleMesh3DCart, ONLY: connectMesh3DCart - USE moduleMesh2DCyl, ONLY: connectMesh2DCyl - USE moduleMesh2DCart, ONLY: connectMesh2DCart - USE moduleMesh1DRad, ONLY: connectMesh1DRad - USE moduleMesh1DCart, ONLY: connectMesh1DCart USE moduleErrors USE moduleOutput USE moduleRefParam @@ -805,86 +827,122 @@ MODULE moduleInput IMPLICIT NONE TYPE(json_file), INTENT(inout):: config + CHARACTER(:), ALLOCATABLE:: object LOGICAL:: found - CHARACTER(:), ALLOCATABLE:: meshFormat, meshFile, EMType + CHARACTER(:), ALLOCATABLE:: meshFormat, meshFile REAL(8):: volume - !Firstly, indicates if a specific mesh for MC collisions is being use - doubleMesh = ASSOCIATED(meshForMCC, meshColl) + object = 'geometry' - !Selects the type of geometry. - CALL config%get('geometry.type', mesh%geometry, found) - IF (doubleMesh) meshColl%geometry = mesh%geometry + !Checks if a mesh for collisions has been defined + !The mesh will be initialized and reader in readGeometry + CALL config%info(object // '.meshCollisions', found) + IF (found) THEN + !Points meshForMCC to the specific mesh defined + meshForMCC => meshColl + doubleMesh = .TRUE. - !Gets the type of mesh - CALL config%get('geometry.meshType', meshFormat, found) - SELECT CASE(meshFormat) - CASE ("gmsh2") - CALL initGmsh2(mesh) - IF (doubleMesh) CALL initGmsh2(meshColl) + ELSE + CALL config%info('interactions', found) + IF (found) THEN + !Points the meshForMCC pointer to the Particles Mesh + meshForMCC => mesh - CASE ("0D") - CALL config%get('geometry.meshType', meshFormat, found) - CALL init0D(mesh) - - CASE DEFAULT - CALL criticalError("Mesh format " // meshFormat // " not recogniced", "readGeometry") - - END SELECT - - !Reads the mesh file - CALL config%get('geometry.meshFile', meshFile, found) - pathMeshParticle = path // meshFile - CALL mesh%readMesh(pathMeshParticle) - DEALLOCATE(meshFile) - IF (doubleMesh) THEN - !Reads the mesh file for collisions - CALL config%get('interactions.meshCollisions', meshFile, found) - pathMeshColl = path // meshFile - CALL meshColl%readMesh(pathMeshColl) + END IF + doubleMesh = .FALSE. END IF - !Gets the volume for a 0D mesh - !TODO: Try to constrain this to the inout for 0D - IF (meshFormat == "0D") THEN - CALL config%get('geometry.volume', volume, found) + !Get the dimension of the geometry + CALL config%get(object // '.dimension', mesh%dimen, found) + IF (.NOT. found) THEN + CALL criticalError('Required parameter geometry.dimension not found', 'readGeometry') + + END IF + IF (doubleMesh) THEN + meshColl%dimen = mesh%dimen + + END IF + + + SELECT CASE(mesh%dimen) + CASE (0) + CALL config%get(object // '.meshType', meshFormat, found) + CALL init0D(mesh) + + !Read the 0D mesh + CALL mesh%readMesh(pathMeshParticle) + + !Get the volumne + CALL config%get(object // '.volume', volume, found) + !Rescale the volumne IF (found) THEN mesh%vols(1)%obj%volume = mesh%vols(1)%obj%volume*volume / Vol_ref mesh%nodes(1)%obj%v = mesh%vols(1)%obj%volume END IF - END IF + CASE (1:3) + !Select the type of geometry + CALL config%get(object // '.type', mesh%geometry, found) + IF (doubleMesh) THEN + meshColl%geometry = mesh%geometry - !Creates the connectivity between elements - SELECT CASE(mesh%geometry) - CASE("3DCart") - mesh%connectMesh => connectMesh3DCart + END IF + + !Check the consistency between geometry and dimension + SELECT CASE(mesh%dimen) + CASE(3) + IF (mesh%geometry /= 'Cart') THEN + CALL criticalError('No available geometry ' // mesh%geometry // ' in 3D', 'readGeometry') - CASE("2DCyl") - mesh%connectMesh => connectMesh2DCyl + END IF - CASE("2DCart") - mesh%connectMesh => connectMesh2DCart + CASE(2) + IF (mesh%geometry /= 'Cart' .AND. & + mesh%geometry /= 'Cyl') THEN + CALL criticalError('No available geometry ' // mesh%geometry // ' in 2D', 'readGeometry') - CASE("1DRad") - mesh%connectMesh => connectMesh1DRad + END IF - CASE("1DCart") - mesh%connectMesh => connectMesh1DCart + CASE(1) + IF (mesh%geometry /= 'Cart' .AND. & + mesh%geometry /= 'Rad') THEN + CALL criticalError('No available geometry ' // mesh%geometry // ' in 1D', 'readGeometry') - CASE("0D") - mesh%connectMesh => NULL() + END IF + + END SELECT + + !Get the type of mesh + CALL config%get(object // '.meshType', meshFormat, found) + SELECT CASE(meshFormat) + CASE ("gmsh2") + CALL initGmsh2(mesh) + IF (doubleMesh) THEN + CALL initGmsh2(meshColl) + + END IF + + END SELECT + + !Reads the mesh file + CALL config%get(object // '.meshFile', meshFile, found) + pathMeshParticle = path // meshFile + CALL mesh%readMesh(pathMeshParticle) + DEALLOCATE(meshFile) + IF (doubleMesh) THEN + !Reads the mesh file for collisions + CALL config%get(object // '.meshCollisions', meshFile, found) + pathMeshColl = path // meshFile + CALL meshColl%readMesh(pathMeshColl) + + END IF + + CASE DEFAULT + CALL criticalError("Mesh dimension not recogniced", "readGeometry") END SELECT - IF (ASSOCIATED(mesh%connectMesh)) CALL mesh%connectMesh - - IF (doubleMesh) THEN - meshColl%connectMesh => mesh%connectMesh - CALL meshColl%connectMesh - - END IF !Builds the K matrix for the Particles mesh CALL mesh%constructGlobalK() @@ -898,16 +956,6 @@ MODULE moduleInput END IF - !Gest EM solver - CALL config%get('case.EMSolver', EMType, found) - CALL solver%initEM(EMType) - SELECT CASE(EMType) - CASE("Electrostatic") - !Reads BC - CALL readEMBoundary(config) - - END SELECT - END SUBROUTINE readGeometry SUBROUTINE readProbes(config) @@ -1010,7 +1058,6 @@ MODULE moduleInput END DO - !TODO: Improve this IF (ALLOCATED(boundEM)) THEN DO e = 1, mesh%numEdges IF (ANY(mesh%edges(e)%obj%physicalSurface == boundEM(:)%physicalSurface)) THEN @@ -1026,7 +1073,10 @@ MODULE moduleInput !Compute the PLU factorization of K once boundary conditions have been read CALL dgetrf(mesh%numNodes, mesh%numNodes, mesh%K, mesh%numNodes, mesh%IPIV, info) - IF (info /= 0) CALL criticalError('Factorization of K matrix failed', 'readEMBoundary') + IF (info /= 0) THEN + CALL criticalError('Factorization of K matrix failed', 'readEMBoundary') + + END IF END SUBROUTINE readEMBoundary diff --git a/src/modules/moduleSolver.f90 b/src/modules/moduleSolver.f90 index 47d33ca..ba39d4d 100644 --- a/src/modules/moduleSolver.f90 +++ b/src/modules/moduleSolver.f90 @@ -60,53 +60,90 @@ MODULE moduleSolver !Init Pusher SUBROUTINE initPusher(self, pusherType, tau, tauSp) USE moduleErrors + USE moduleMesh, ONLY: mesh IMPLICIT NONE CLASS(pusherGeneric), INTENT(out):: self CHARACTER(:), ALLOCATABLE:: pusherType REAL(8):: tau, tauSp - SELECT CASE(pusherType) - !3D Cartesian - CASE('3DCartNeutral') - self%pushParticle => push3DCartNeutral - - CASE('3DCartCharged') - self%pushParticle => push3DCartCharged - - !2D Cylindrical - CASE('2DCylNeutral') - self%pushParticle => push2DCylNeutral - - CASE('2DCylCharged') - self%pushParticle => push2DCylCharged - - !2D Cartesian - CASE('2DCartNeutral') - self%pushParticle => push2DCartNeutral - - CASE('2DCartCharged') - self%pushParticle => push2DCartCharged - - !1D Cartesian - CASE('1DCartNeutral') - self%pushParticle => push1DCartNeutral - - CASE('1DCartCharged') - self%pushParticle => push1DCartCharged - - !1D Radial - CASE('1DRadNeutral') - self%pushParticle => push1DRadNeutral - - CASE('1DRadCharged') - self%pushParticle => push1DRadCharged - - CASE('0D') + !TODO: Reorganize if Cart pushers are combined + SELECT CASE(mesh%dimen) + CASE(0) self%pushParticle => push0D - CASE DEFAULT - CALL criticalError('Pusher ' // pusherType // ' not found','initPusher') + CASE(3) + SELECT CASE(pusherType) + CASE('Neutral') + self%pushParticle => push3DCartNeutral + + CASE('Electrostatic') + self%pushParticle => push3DCartCharged + + CASE DEFAULT + CALL criticalError('Pusher ' // pusherType // ' not found for 3D','initPusher') + + END SELECT + + CASE(2) + SELECT CASE(mesh%geometry) + CASE('Cyl') + SELECT CASE(pusherType) + CASE('Neutral') + self%pushParticle => push2DCylNeutral + + CASE('Electrostatic') + self%pushParticle => push2DCylCharged + + CASE DEFAULT + CALL criticalError('Pusher ' // pusherType // ' not found for 2D Cyl','initPusher') + + END SELECT + + CASE ('Cart') + SELECT CASE(pusherType) + CASE('Neutral') + self%pushParticle => push2DCartNeutral + + CASE('Electrostatic') + self%pushParticle => push2DCartCharged + + CASE DEFAULT + CALL criticalError('Pusher ' // pusherType // ' not found for 2D Cart','initPusher') + + END SELECT + + END SELECT + + CASE(1) + SELECT CASE(mesh%geometry) + CASE('Rad') + SELECT CASE(pusherType) + CASE('Neutral') + self%pushParticle => push1DRadNeutral + + CASE('Electrostatic') + self%pushParticle => push1DRadCharged + + CASE DEFAULT + CALL criticalError('Pusher ' // pusherType // ' not found for 1D Rad','initPusher') + + END SELECT + + CASE('Cart') + SELECT CASE(pusherType) + CASE('Neutral') + self%pushParticle => push1DCartNeutral + + CASE('Electrostatic') + self%pushParticle => push1DCartCharged + + CASE DEFAULT + CALL criticalError('Pusher ' // pusherType // ' not found for 1D Cart','initPusher') + + END SELECT + + END SELECT END SELECT @@ -172,7 +209,7 @@ MODULE moduleSolver END SUBROUTINE doPushes - !Push neutral particles in 3D cartesian coordinates + !Push neutral particles in cartesian coordinates PURE SUBROUTINE push3DCartNeutral(part, tauIn) USE moduleSPecies IMPLICIT NONE @@ -195,8 +232,6 @@ MODULE moduleSolver part_temp%v(3) = part%v(3) part_temp%r(3) = part%r(3) + part_temp%v(3)*tauIn - part_temp%n_in = .FALSE. - part = part_temp END SUBROUTINE push3DCartNeutral @@ -228,8 +263,6 @@ MODULE moduleSolver part_temp%v(3) = part%v(3) + qmEFt(3) part_temp%r(3) = part%r(3) + part_temp%v(3)*tauIn - part_temp%n_in = .FALSE. - part = part_temp END SUBROUTINE push3DCartCharged @@ -265,7 +298,7 @@ MODULE moduleSolver END IF part_temp%v(2) = cos_alpha*v_p_oh_star(2)+sin_alpha*v_p_oh_star(3) part_temp%v(3) = -sin_alpha*v_p_oh_star(2)+cos_alpha*v_p_oh_star(3) - part_temp%n_in = .FALSE. !Assume particle is outside until cell is found + !Copy temporal particle to particle part=part_temp @@ -306,7 +339,7 @@ MODULE moduleSolver END IF part_temp%v(2) = cos_alpha*v_p_oh_star(2)+sin_alpha*v_p_oh_star(3) part_temp%v(3) = -sin_alpha*v_p_oh_star(2)+cos_alpha*v_p_oh_star(3) - part_temp%n_in = .FALSE. !Assume particle is outside until cell is found + !Copy temporal particle to particle part=part_temp @@ -331,8 +364,6 @@ MODULE moduleSolver part_temp%v(2) = part%v(2) part_temp%r(2) = part%r(2) + part_temp%v(2)*tauIn - part_temp%n_in = .FALSE. - part = part_temp END SUBROUTINE push2DCartNeutral @@ -360,8 +391,6 @@ MODULE moduleSolver part_temp%v(2) = part%v(2) + qmEFt(2) part_temp%r(2) = part%r(2) + part_temp%v(2)*tauIn - part_temp%n_in = .FALSE. - part = part_temp END SUBROUTINE push2DCartCharged @@ -382,8 +411,6 @@ MODULE moduleSolver part_temp%v(1) = part%v(1) part_temp%r(1) = part%r(1) + part_temp%v(1)*tauIn - part_temp%n_in = .FALSE. - part = part_temp END SUBROUTINE push1DCartNeutral @@ -407,8 +434,6 @@ MODULE moduleSolver part_temp%v(1) = part%v(1) + qmEFt(1) part_temp%r(1) = part%r(1) + part_temp%v(1)*tauIn - part_temp%n_in = .FALSE. - part = part_temp END SUBROUTINE push1DCartCharged @@ -442,7 +467,7 @@ MODULE moduleSolver END IF part_temp%v(1) = cos_alpha*v_p_oh_star(1)+sin_alpha*v_p_oh_star(2) part_temp%v(2) = -sin_alpha*v_p_oh_star(1)+cos_alpha*v_p_oh_star(2) - part_temp%n_in = .FALSE. !Assume particle is outside until cell is found + !Copy temporal particle to particle part=part_temp @@ -480,7 +505,7 @@ MODULE moduleSolver END IF part_temp%v(1) = cos_alpha*v_p_oh_star(1)+sin_alpha*v_p_oh_star(2) part_temp%v(2) = -sin_alpha*v_p_oh_star(1)+cos_alpha*v_p_oh_star(2) - part_temp%n_in = .FALSE. !Assume particle is outside until cell is found + !Copy temporal particle to particle part=part_temp @@ -800,6 +825,9 @@ MODULE moduleSolver TYPE(particle), INTENT(inout):: part CLASS(meshVol), POINTER:: volOld, volNew + !Assume that particle is outside the domain + part%n_in = .FALSE. + volOld => mesh%vols(part%vol)%obj CALL volOld%findCell(part) CALL findCellColl(part) From 771e336f872d5c8a2a08d6f8fb19bf77aa85caf3 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 8 Apr 2022 19:16:41 +0200 Subject: [PATCH 02/15] Cart pusher combined Now, all Cart pushers push particles in 3D, regardless the geometry. --- .gitignore | 1 + src/modules/moduleSolver.f90 | 168 ++++++----------------------------- 2 files changed, 26 insertions(+), 143 deletions(-) diff --git a/.gitignore b/.gitignore index f614574..b27c91c 100644 --- a/.gitignore +++ b/.gitignore @@ -4,4 +4,5 @@ obj/ doc/user_manual/ doc/coding_style/ json-fortran-8.2.0/ +json-fortran/ runs/ diff --git a/src/modules/moduleSolver.f90 b/src/modules/moduleSolver.f90 index ba39d4d..69132d2 100644 --- a/src/modules/moduleSolver.f90 +++ b/src/modules/moduleSolver.f90 @@ -72,51 +72,39 @@ MODULE moduleSolver CASE(0) self%pushParticle => push0D - CASE(3) - SELECT CASE(pusherType) - CASE('Neutral') - self%pushParticle => push3DCartNeutral - - CASE('Electrostatic') - self%pushParticle => push3DCartCharged - - CASE DEFAULT - CALL criticalError('Pusher ' // pusherType // ' not found for 3D','initPusher') - - END SELECT - - CASE(2) + CASE(1:3) SELECT CASE(mesh%geometry) - CASE('Cyl') - SELECT CASE(pusherType) - CASE('Neutral') - self%pushParticle => push2DCylNeutral - - CASE('Electrostatic') - self%pushParticle => push2DCylCharged - - CASE DEFAULT - CALL criticalError('Pusher ' // pusherType // ' not found for 2D Cyl','initPusher') - - END SELECT - CASE ('Cart') SELECT CASE(pusherType) CASE('Neutral') - self%pushParticle => push2DCartNeutral + self%pushParticle => pushCartNeutral CASE('Electrostatic') - self%pushParticle => push2DCartCharged + self%pushParticle => pushCartCharged CASE DEFAULT - CALL criticalError('Pusher ' // pusherType // ' not found for 2D Cart','initPusher') + CALL criticalError('Pusher ' // pusherType // ' not found for Cart','initPusher') END SELECT + CASE('Cyl') + IF (self%dimen == 2) THEN + SELECT CASE(pusherType) + CASE('Neutral') + self%pushParticle => push2DCylNeutral + + CASE('Electrostatic') + self%pushParticle => push2DCylCharged + + CASE DEFAULT + CALL criticalError('Pusher ' // pusherType // ' not found for Cyl','initPusher') + + END SELECT + + END IF + END SELECT - CASE(1) - SELECT CASE(mesh%geometry) CASE('Rad') SELECT CASE(pusherType) CASE('Neutral') @@ -126,20 +114,7 @@ MODULE moduleSolver self%pushParticle => push1DRadCharged CASE DEFAULT - CALL criticalError('Pusher ' // pusherType // ' not found for 1D Rad','initPusher') - - END SELECT - - CASE('Cart') - SELECT CASE(pusherType) - CASE('Neutral') - self%pushParticle => push1DCartNeutral - - CASE('Electrostatic') - self%pushParticle => push1DCartCharged - - CASE DEFAULT - CALL criticalError('Pusher ' // pusherType // ' not found for 1D Cart','initPusher') + CALL criticalError('Pusher ' // pusherType // ' not found for Rad','initPusher') END SELECT @@ -210,7 +185,7 @@ MODULE moduleSolver END SUBROUTINE doPushes !Push neutral particles in cartesian coordinates - PURE SUBROUTINE push3DCartNeutral(part, tauIn) + PURE SUBROUTINE pushCartNeutral(part, tauIn) USE moduleSPecies IMPLICIT NONE @@ -234,10 +209,10 @@ MODULE moduleSolver part = part_temp - END SUBROUTINE push3DCartNeutral + END SUBROUTINE pushCartNeutral !Push charged particles in 3D cartesian coordinates - PURE SUBROUTINE push3DCartCharged(part, tauIn) + PURE SUBROUTINE pushCartCharged(part, tauIn) USE moduleSPecies USE moduleEM IMPLICIT NONE @@ -265,7 +240,7 @@ MODULE moduleSolver part = part_temp - END SUBROUTINE push3DCartCharged + END SUBROUTINE pushCartCharged !Push one particle. Boris pusher for 2D Cyl Neutral particle PURE SUBROUTINE push2DCylNeutral(part, tauIn) @@ -345,99 +320,6 @@ MODULE moduleSolver END SUBROUTINE push2DCylCharged - !Push neutral particles in 2D cartesian coordinates - PURE SUBROUTINE push2DCartNeutral(part, tauIn) - USE moduleSPecies - IMPLICIT NONE - - TYPE(particle), INTENT(inout):: part - REAL(8), INTENT(in):: tauIn - TYPE(particle):: part_temp - - part_temp = part - - !x - part_temp%v(1) = part%v(1) - part_temp%r(1) = part%r(1) + part_temp%v(1)*tauIn - - !y - part_temp%v(2) = part%v(2) - part_temp%r(2) = part%r(2) + part_temp%v(2)*tauIn - - part = part_temp - - END SUBROUTINE push2DCartNeutral - - !Push charged particles in 2D cartesian coordinates - PURE SUBROUTINE push2DCartCharged(part, tauIn) - USE moduleSPecies - USE moduleEM - IMPLICIT NONE - - TYPE(particle), INTENT(inout):: part - REAL(8), INTENT(in):: tauIn - TYPE(particle):: part_temp - REAL(8):: qmEFt(1:3) - - part_temp = part - !Get the electric field at particle position - qmEFt = part_temp%qm*gatherElecField(part_temp)*tauIn - - !x - part_temp%v(1) = part%v(1) + qmEFt(1) - part_temp%r(1) = part%r(1) + part_temp%v(1)*tauIn - - !y - part_temp%v(2) = part%v(2) + qmEFt(2) - part_temp%r(2) = part%r(2) + part_temp%v(2)*tauIn - - part = part_temp - - END SUBROUTINE push2DCartCharged - - !Push neutral particles in 1D cartesian coordinates - PURE SUBROUTINE push1DCartNeutral(part, tauIn) - USE moduleSPecies - USE moduleEM - IMPLICIT NONE - - TYPE(particle), INTENT(inout):: part - REAL(8), INTENT(in):: tauIn - TYPE(particle):: part_temp - - part_temp = part - - !x - part_temp%v(1) = part%v(1) - part_temp%r(1) = part%r(1) + part_temp%v(1)*tauIn - - part = part_temp - - END SUBROUTINE push1DCartNeutral - - !Push charged particles in 1D cartesian coordinates - PURE SUBROUTINE push1DCartCharged(part, tauIn) - USE moduleSPecies - USE moduleEM - IMPLICIT NONE - - TYPE(particle), INTENT(inout):: part - REAL(8), INTENT(in):: tauIn - TYPE(particle):: part_temp - REAL(8):: qmEFt(1:3) - - part_temp = part - !Get the electric field at particle position - qmEFt = part_temp%qm*gatherElecField(part_temp)*tauIn - - !x - part_temp%v(1) = part%v(1) + qmEFt(1) - part_temp%r(1) = part%r(1) + part_temp%v(1)*tauIn - - part = part_temp - - END SUBROUTINE push1DCartCharged - !Push one particle. Boris pusher for 1D Radial Neutral particle PURE SUBROUTINE push1DRadNeutral(part, tauIn) USE moduleSpecies From 8006f9d7681fd10f0549dbdf14d49e870124c259 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sat, 9 Apr 2022 08:57:06 +0200 Subject: [PATCH 03/15] First EM pusher First implementation of Electromagnetic pusher. Some testing is still required. Documentation needs to be upgraded to match the changes in this branch. --- src/modules/mesh/0D/moduleMesh0D.f90 | 12 ++ src/modules/mesh/1DCart/moduleMesh1DCart.f90 | 23 ++++ src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 23 ++++ src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 53 ++++++++ src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 53 ++++++++ src/modules/mesh/3DCart/moduleMesh3DCart.f90 | 28 ++++ .../inout/gmsh2/moduleMeshOutputGmsh2.f90 | 15 +++ src/modules/mesh/moduleMesh.f90 | 9 ++ src/modules/moduleEM.f90 | 17 +++ src/modules/moduleInput.f90 | 29 ++++- src/modules/moduleOutput.f90 | 1 + src/modules/moduleRefParam.f90 | 2 +- src/modules/moduleSolver.f90 | 123 ++++++++++-------- 13 files changed, 331 insertions(+), 57 deletions(-) diff --git a/src/modules/mesh/0D/moduleMesh0D.f90 b/src/modules/mesh/0D/moduleMesh0D.f90 index 79939cd..93fd4bd 100644 --- a/src/modules/mesh/0D/moduleMesh0D.f90 +++ b/src/modules/mesh/0D/moduleMesh0D.f90 @@ -19,6 +19,7 @@ MODULE moduleMesh0D PROCEDURE, PASS:: randPos => randPos0D PROCEDURE, NOPASS:: fPsi => fPsi0D PROCEDURE, PASS:: gatherEF => gatherEF0D + PROCEDURE, PASS:: gatherMF => gatherMF0D PROCEDURE, PASS:: elemK => elemK0D PROCEDURE, PASS:: elemF => elemF0D PROCEDURE, PASS:: phy2log => phy2log0D @@ -123,6 +124,17 @@ MODULE moduleMesh0D END FUNCTION gatherEF0D + PURE FUNCTION gatherMF0D(self, xi) RESULT(MF) + IMPLICIT NONE + + CLASS(meshVol0D), INTENT(in):: self + REAL(8), INTENT(in):: xi(1:3) + REAL(8):: MF(1:3) + + MF = 0.D0 + + END FUNCTION gatherMF0D + PURE FUNCTION elemK0D(self) RESULT(localK) IMPLICIT NONE diff --git a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 index 24b7287..fe755fa 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 @@ -77,6 +77,7 @@ MODULE moduleMesh1DCart PROCEDURE, PASS:: elemF => elemFSegm PROCEDURE, NOPASS:: inside => insideSegm PROCEDURE, PASS:: gatherEF => gatherEFSegm + PROCEDURE, PASS:: gatherMF => gatherMFSegm PROCEDURE, PASS:: getNodes => getNodesSegm PROCEDURE, PASS:: phy2log => phy2logSegm PROCEDURE, PASS:: nextElement => nextElementSegm @@ -388,6 +389,28 @@ MODULE moduleMesh1DCart END FUNCTION gatherEFSegm + PURE FUNCTION gatherMFSegm(self, xi) RESULT(MF) + IMPLICIT NONE + + CLASS(meshVol1DCartSegm), INTENT(in):: self + REAL(8), INTENT(in):: xi(1:3) + REAL(8):: fPsi(1:2) + REAL(8):: MF_Nodes(1:2, 1:3) + REAL(8):: MF(1:3) + REAL(8):: invJ + + MF_Nodes(1:2,1) = (/ self%n1%emData%B(1), & + self%n2%emData%B(1) /) + MF_Nodes(1:2,2) = (/ self%n1%emData%B(2), & + self%n2%emData%B(2) /) + MF_Nodes(1:2,3) = (/ self%n1%emData%B(3), & + self%n2%emData%B(3) /) + + fPsi = self%fPsi(xi) + MF = MATMUL(fPsi, MF_Nodes) + + END FUNCTION gatherMFSegm + !Get nodes from 1D volume PURE FUNCTION getNodesSegm(self) RESULT(n) IMPLICIT NONE diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index 7567ab9..6fc3c66 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -78,6 +78,7 @@ MODULE moduleMesh1DRad PROCEDURE, PASS:: elemF => elemFRad PROCEDURE, NOPASS:: inside => insideRad PROCEDURE, PASS:: gatherEF => gatherEFRad + PROCEDURE, PASS:: gatherMF => gatherMFRad PROCEDURE, PASS:: getNodes => getNodesRad PROCEDURE, PASS:: phy2log => phy2logRad PROCEDURE, PASS:: nextElement => nextElementRad @@ -400,6 +401,28 @@ MODULE moduleMesh1DRad END FUNCTION gatherEFRad + PURE FUNCTION gatherMFRad(self, xi) RESULT(MF) + IMPLICIT NONE + + CLASS(meshVol1DRadSegm), INTENT(in):: self + REAL(8), INTENT(in):: xi(1:3) + REAL(8):: fPsi(1:2) + REAL(8):: MF_Nodes(1:2, 1:3) + REAL(8):: MF(1:3) + REAL(8):: invJ + + MF_Nodes(1:2,1) = (/ self%n1%emData%B(1), & + self%n2%emData%B(1) /) + MF_Nodes(1:2,2) = (/ self%n1%emData%B(2), & + self%n2%emData%B(2) /) + MF_Nodes(1:2,3) = (/ self%n1%emData%B(3), & + self%n2%emData%B(3) /) + + fPsi = self%fPsi(xi) + MF = MATMUL(fPsi, MF_Nodes) + + END FUNCTION gatherMFRad + !Get nodes from 1D volume PURE FUNCTION getNodesRad(self) RESULT(n) IMPLICIT NONE diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index bc60a69..4b23ff1 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -85,6 +85,7 @@ MODULE moduleMesh2DCart PROCEDURE, PASS:: elemF => elemFQuad PROCEDURE, NOPASS:: inside => insideQuad PROCEDURE, PASS:: gatherEF => gatherEFQuad + PROCEDURE, PASS:: gatherMF => gatherMFQuad PROCEDURE, PASS:: getNodes => getNodesQuad PROCEDURE, PASS:: phy2log => phy2logQuad PROCEDURE, PASS:: nextElement => nextElementQuad @@ -114,6 +115,7 @@ MODULE moduleMesh2DCart PROCEDURE, PASS:: elemF => elemFTria PROCEDURE, NOPASS:: inside => insideTria PROCEDURE, PASS:: gatherEF => gatherEFTria + PROCEDURE, PASS:: gatherMF => gatherMFTria PROCEDURE, PASS:: getNodes => getNodesTria PROCEDURE, PASS:: phy2log => phy2logTria PROCEDURE, PASS:: nextElement => nextElementTria @@ -505,6 +507,33 @@ MODULE moduleMesh2DCart END FUNCTION gatherEFQuad + PURE FUNCTION gatherMFQuad(self,xi) RESULT(MF) + IMPLICIT NONE + + CLASS(meshVol2DCartQuad), INTENT(in):: self + REAL(8), INTENT(in):: xi(1:3) + REAL(8):: fPsi(1:4) + REAL(8):: MF_Nodes(1:4,1:3) + REAL(8):: MF(1:3) + + MF_Nodes(1:4,1) = (/self%n1%emData%B(1), & + self%n2%emData%B(1), & + self%n3%emData%B(1), & + self%n4%emData%B(1) /) + MF_Nodes(1:4,2) = (/self%n1%emData%B(2), & + self%n2%emData%B(2), & + self%n3%emData%B(2), & + self%n4%emData%B(2) /) + MF_Nodes(1:4,3) = (/self%n1%emData%B(3), & + self%n2%emData%B(3), & + self%n3%emData%B(3), & + self%n4%emData%B(3) /) + + fPsi = self%fPsi(xi) + MF = MATMUL(fPsi(:), MF_Nodes) + + END FUNCTION gatherMFQuad + !Gets nodes from quadrilateral element PURE FUNCTION getNodesQuad(self) RESULT(n) IMPLICIT NONE @@ -816,6 +845,30 @@ MODULE moduleMesh2DCart END FUNCTION gatherEFTria + PURE FUNCTION gatherMFTria(self,xi) RESULT(MF) + IMPLICIT NONE + + CLASS(meshVol2DCartTria), INTENT(in):: self + REAL(8), INTENT(in):: xi(1:3) + REAL(8):: fPsi(1:3) + REAL(8):: MF_Nodes(1:3,1:3) + REAL(8):: MF(1:3) + + MF_Nodes(1:3,1) = (/self%n1%emData%B(1), & + self%n2%emData%B(1), & + self%n3%emData%B(1) /) + MF_Nodes(1:3,2) = (/self%n1%emData%B(2), & + self%n2%emData%B(2), & + self%n3%emData%B(2) /) + MF_Nodes(1:3,3) = (/self%n1%emData%B(3), & + self%n2%emData%B(3), & + self%n3%emData%B(3) /) + + fPsi = self%fPsi(xi) + MF = MATMUL(fPsi, MF_Nodes) + + END FUNCTION gatherMFTria + !Gets node indexes from triangular element PURE FUNCTION getNodesTria(self) RESULT(n) IMPLICIT NONE diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 62933d8..1e4e580 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -86,6 +86,7 @@ MODULE moduleMesh2DCyl PROCEDURE, PASS:: elemF => elemFQuad PROCEDURE, NOPASS:: inside => insideQuad PROCEDURE, PASS:: gatherEF => gatherEFQuad + PROCEDURE, PASS:: gatherMF => gatherMFQuad PROCEDURE, PASS:: getNodes => getNodesQuad PROCEDURE, PASS:: phy2log => phy2logQuad PROCEDURE, PASS:: nextElement => nextElementQuad @@ -115,6 +116,7 @@ MODULE moduleMesh2DCyl PROCEDURE, PASS:: elemF => elemFTria PROCEDURE, NOPASS:: inside => insideTria PROCEDURE, PASS:: gatherEF => gatherEFTria + PROCEDURE, PASS:: gatherMF => gatherMFTria PROCEDURE, PASS:: getNodes => getNodesTria PROCEDURE, PASS:: phy2log => phy2logTria PROCEDURE, PASS:: nextElement => nextElementTria @@ -526,6 +528,33 @@ MODULE moduleMesh2DCyl END FUNCTION gatherEFQuad + PURE FUNCTION gatherMFQuad(self,xi) RESULT(MF) + IMPLICIT NONE + + CLASS(meshVol2DCylQuad), INTENT(in):: self + REAL(8), INTENT(in):: xi(1:3) + REAL(8):: fPsi(1:4) + REAL(8):: MF_Nodes(1:4,1:3) + REAL(8):: MF(1:3) + + MF_Nodes(1:4,1) = (/self%n1%emData%B(1), & + self%n2%emData%B(1), & + self%n3%emData%B(1), & + self%n4%emData%B(1) /) + MF_Nodes(1:4,2) = (/self%n1%emData%B(2), & + self%n2%emData%B(2), & + self%n3%emData%B(2), & + self%n4%emData%B(2) /) + MF_Nodes(1:4,3) = (/self%n1%emData%B(3), & + self%n2%emData%B(3), & + self%n3%emData%B(3), & + self%n4%emData%B(3) /) + + fPsi = self%fPsi(xi) + MF = MATMUL(fPsi(:), MF_Nodes) + + END FUNCTION gatherMFQuad + !Gets nodes from quadrilateral element PURE FUNCTION getNodesQuad(self) RESULT(n) IMPLICIT NONE @@ -845,6 +874,30 @@ MODULE moduleMesh2DCyl END FUNCTION gatherEFTria + PURE FUNCTION gatherMFTria(self,xi) RESULT(MF) + IMPLICIT NONE + + CLASS(meshVol2DCylTria), INTENT(in):: self + REAL(8), INTENT(in):: xi(1:3) + REAL(8):: fPsi(1:3) + REAL(8):: MF_Nodes(1:3,1:3) + REAL(8):: MF(1:3) + + MF_Nodes(1:3,1) = (/self%n1%emData%B(1), & + self%n2%emData%B(1), & + self%n3%emData%B(1) /) + MF_Nodes(1:3,2) = (/self%n1%emData%B(2), & + self%n2%emData%B(2), & + self%n3%emData%B(2) /) + MF_Nodes(1:3,3) = (/self%n1%emData%B(3), & + self%n2%emData%B(3), & + self%n3%emData%B(3) /) + + fPsi = self%fPsi(xi) + MF = MATMUL(fPsi, MF_Nodes) + + END FUNCTION gatherMFTria + !Gets node indexes from triangular element PURE FUNCTION getNodesTria(self) RESULT(n) IMPLICIT NONE diff --git a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 index 477373f..d6a6391 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 @@ -78,6 +78,7 @@ MODULE moduleMesh3DCart PROCEDURE, PASS:: elemF => elemFTetra PROCEDURE, NOPASS:: inside => insideTetra PROCEDURE, PASS:: gatherEF => gatherEFTetra + PROCEDURE, PASS:: gatherMF => gatherMFTetra PROCEDURE, PASS:: getNodes => getNodesTetra PROCEDURE, PASS:: phy2log => phy2logTetra PROCEDURE, PASS:: nextElement => nextElementTetra @@ -498,6 +499,33 @@ MODULE moduleMesh3DCart END FUNCTION gatherEFTetra + PURE FUNCTION gatherMFTetra(self, xi) RESULT(MF) + IMPLICIT NONE + + CLASS(meshVol3DCartTetra), INTENT(in):: self + REAL(8), INTENT(in):: xi(1:3) + REAL(8):: fPsi(1:4) + REAL(8):: MF_Nodes(1:4,1:3) + REAL(8):: MF(1:3) + + MF_Nodes(1:4,1) = (/self%n1%emData%B(1), & + self%n2%emData%B(1), & + self%n3%emData%B(1), & + self%n4%emData%B(1) /) + MF_Nodes(1:4,2) = (/self%n1%emData%B(2), & + self%n2%emData%B(2), & + self%n3%emData%B(2), & + self%n4%emData%B(2) /) + MF_Nodes(1:4,3) = (/self%n1%emData%B(3), & + self%n2%emData%B(3), & + self%n3%emData%B(3), & + self%n4%emData%B(3) /) + + fPsi = self%fPsi(xi) + MF = MATMUL(fPsi, MF_Nodes) + + END FUNCTION gatherMFTetra + PURE FUNCTION getNodesTetra(self) RESULT(n) IMPLICIT NONE diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 index 66fe345..e63a73c 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 @@ -200,6 +200,21 @@ MODULE moduleMeshOutputGmsh2 WRITE(20, *) e+self%numEdges, self%vols(e)%obj%gatherEF(xi)*EF_ref END DO WRITE(20, "(A)") '$EndElementData' + + WRITE(20, "(A)") '$NodeData' + WRITE(20, "(A)") '1' + WRITE(20, "(A)") '"Magnetic Field (T)"' + WRITE(20, *) 1 + WRITE(20, *) time + WRITE(20, *) 3 + WRITE(20, *) t + WRITE(20, *) 3 + WRITE(20, *) self%numNodes + DO n=1, self%numNodes + WRITE(20, *) n, self%nodes(n)%obj%emData%B * B_ref + END DO + WRITE(20, "(A)") '$EndNodeData' + CLOSE(20) END IF diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 19283b5..9547304 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -166,6 +166,7 @@ MODULE moduleMesh PROCEDURE(fPsi_interface), DEFERRED, NOPASS:: fPsi PROCEDURE, PASS:: scatter PROCEDURE(gatherEF_interface), DEFERRED, PASS:: gatherEF + PROCEDURE(gatherMF_interface), DEFERRED, PASS:: gatherMF PROCEDURE(elemK_interface), DEFERRED, PASS:: elemK PROCEDURE(elemF_interface), DEFERRED, PASS:: elemF PROCEDURE, PASS:: findCell @@ -194,6 +195,14 @@ MODULE moduleMesh END FUNCTION gatherEF_interface + PURE FUNCTION gatherMF_interface(self, xi) RESULT(MF) + IMPORT:: meshVol + CLASS(meshVol), INTENT(in):: self + REAL(8), INTENT(in):: xi(1:3) + REAL(8):: MF(1:3) + + END FUNCTION gatherMF_interface + PURE FUNCTION getNodesVol_interface(self) RESULT(n) IMPORT:: meshVol CLASS(meshVol), INTENT(in):: self diff --git a/src/modules/moduleEM.f90 b/src/modules/moduleEM.f90 index 876093e..ce91858 100644 --- a/src/modules/moduleEM.f90 +++ b/src/modules/moduleEM.f90 @@ -62,6 +62,23 @@ MODULE moduleEM END FUNCTION gatherElecField + PURE FUNCTION gatherMagnField(part) RESULT(BField) + USE moduleSpecies + USE moduleMesh + IMPLICIT NONE + + TYPE(particle), INTENT(in):: part + REAl(8):: xi(1:3) !Logical coordinates of particle in element + REAL(8):: BField(1:3) + + BField = 0.D0 + + xi = part%xi + + BField = mesh%vols(part%vol)%obj%gatherMF(xi) + + END FUNCTION gatherMagnField + SUBROUTINE assembleSourceVector(vectorF) USE moduleMesh USE moduleRefParam diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index d250954..31e2588 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -155,6 +155,7 @@ MODULE moduleInput Vol_ref = L_ref**3 !reference volume EF_ref = qe*n_ref*L_ref/eps_0 !reference electric field Volt_ref = EF_ref*L_ref !reference voltage + B_ref = m_ref / (ti_ref * qe) !reference magnetic field END SUBROUTINE readReference @@ -177,8 +178,9 @@ MODULE moduleInput !simulation final and initial times in [t] REAL(8):: finalTime, initialTime CHARACTER(:), ALLOCATABLE:: pusherType, WSType, EMType + REAL(8):: B(1:3) INTEGER:: nTau, nSolver - INTEGER:: i + INTEGER:: i, n CHARACTER(2):: iString CHARACTER(1):: tString @@ -267,6 +269,31 @@ MODULE moduleInput !Read BC CALL readEMBoundary(config) + CASE("ConstantB") + !Read BC + CALL readEMBoundary(config) + !Read constant magnetic field + DO i = 1, 3 + WRITE(istring, '(i2)') i + CALL config%get(object // '.B(' // istring // ')', B(i), found) + IF (.NOT. found) THEN + CALL criticalError('Constant magnetic field not provided in direction ' // iString, 'readSolver') + + END IF + + END DO + + !Non-dimensional magnetic field + B = B / B_ref + + !Assign it to the nodes + DO n =1, mesh%numNodes + mesh%nodes(n)%obj%emData%B(1) = B(1) + mesh%nodes(n)%obj%emData%B(2) = B(2) + mesh%nodes(n)%obj%emData%B(3) = B(3) + + END DO + CASE DEFAULT CALL criticalError('EM Solver ' // EMType // ' not found', 'readSolver') diff --git a/src/modules/moduleOutput.f90 b/src/modules/moduleOutput.f90 index 4a3f4da..ecc5462 100644 --- a/src/modules/moduleOutput.f90 +++ b/src/modules/moduleOutput.f90 @@ -11,6 +11,7 @@ MODULE moduleOutput TYPE emNode CHARACTER(:), ALLOCATABLE:: type REAL(8):: phi + REAL(8):: B(1:3) END TYPE emNode diff --git a/src/modules/moduleRefParam.f90 b/src/modules/moduleRefParam.f90 index 9d2b8d9..2dacc21 100644 --- a/src/modules/moduleRefParam.f90 +++ b/src/modules/moduleRefParam.f90 @@ -3,7 +3,7 @@ MODULE moduleRefParam !Parameters that define the problem (inputs) REAL(8):: n_ref, m_ref, T_ref, r_ref, debye_ref, sigma_ref !Reference parameters for non-dimensional problem - REAL(8):: L_ref, v_ref, ti_ref, Vol_ref, EF_ref, Volt_ref + REAL(8):: L_ref, v_ref, ti_ref, Vol_ref, EF_ref, Volt_ref, B_ref END MODULE moduleRefParam diff --git a/src/modules/moduleSolver.f90 b/src/modules/moduleSolver.f90 index 69132d2..6e23c6f 100644 --- a/src/modules/moduleSolver.f90 +++ b/src/modules/moduleSolver.f90 @@ -27,7 +27,7 @@ MODULE moduleSolver INTERFACE !Push a particle - PURE SUBROUTINE push_interafece(part, tauIn) + SUBROUTINE push_interafece(part, tauIn) USE moduleSpecies TYPE(particle), INTENT(inout):: part @@ -80,7 +80,10 @@ MODULE moduleSolver self%pushParticle => pushCartNeutral CASE('Electrostatic') - self%pushParticle => pushCartCharged + self%pushParticle => pushCartElectrostatic + + CASE('Electromagnetic') + self%pushParticle => pushCartElectromagnetic CASE DEFAULT CALL criticalError('Pusher ' // pusherType // ' not found for Cart','initPusher') @@ -88,22 +91,17 @@ MODULE moduleSolver END SELECT CASE('Cyl') - IF (self%dimen == 2) THEN - SELECT CASE(pusherType) - CASE('Neutral') - self%pushParticle => push2DCylNeutral + SELECT CASE(pusherType) + CASE('Neutral') + self%pushParticle => push2DCylNeutral - CASE('Electrostatic') - self%pushParticle => push2DCylCharged + CASE('Electrostatic') + self%pushParticle => push2DCylElectrostatic - CASE DEFAULT - CALL criticalError('Pusher ' // pusherType // ' not found for Cyl','initPusher') + CASE DEFAULT + CALL criticalError('Pusher ' // pusherType // ' not found for Cyl','initPusher') - END SELECT - - END IF - - END SELECT + END SELECT CASE('Rad') SELECT CASE(pusherType) @@ -111,7 +109,7 @@ MODULE moduleSolver self%pushParticle => push1DRadNeutral CASE('Electrostatic') - self%pushParticle => push1DRadCharged + self%pushParticle => push1DRadElectrostatic CASE DEFAULT CALL criticalError('Pusher ' // pusherType // ' not found for Rad','initPusher') @@ -134,7 +132,7 @@ MODULE moduleSolver CHARACTER(:), ALLOCATABLE:: EMType SELECT CASE(EMType) - CASE('Electrostatic') + CASE('Electrostatic','ConstantB') self%solveEM => solveElecField END SELECT @@ -191,56 +189,71 @@ MODULE moduleSolver TYPE(particle), INTENT(inout):: part REAL(8), INTENT(in):: tauIn - TYPE(particle):: part_temp - part_temp = part - - !x - part_temp%v(1) = part%v(1) - part_temp%r(1) = part%r(1) + part_temp%v(1)*tauIn - - !y - part_temp%v(2) = part%v(2) - part_temp%r(2) = part%r(2) + part_temp%v(2)*tauIn - - !z - part_temp%v(3) = part%v(3) - part_temp%r(3) = part%r(3) + part_temp%v(3)*tauIn - - part = part_temp + part%r = part%r + part%v*tauIn END SUBROUTINE pushCartNeutral - !Push charged particles in 3D cartesian coordinates - PURE SUBROUTINE pushCartCharged(part, tauIn) + PURE SUBROUTINE pushCartElectrostatic(part, tauIn) USE moduleSPecies USE moduleEM IMPLICIT NONE TYPE(particle), INTENT(inout):: part REAL(8), INTENT(in):: tauIn - TYPE(particle):: part_temp REAL(8):: qmEFt(1:3) - part_temp = part !Get the electric field at particle position - qmEFt = part_temp%qm*gatherElecField(part_temp)*tauIn + qmEFt = part%qm*gatherElecField(part)*tauIn - !x - part_temp%v(1) = part%v(1) + qmEFt(1) - part_temp%r(1) = part%r(1) + part_temp%v(1)*tauIn + !Update velocity + part%v = part%v + qmEFt - !y - part_temp%v(2) = part%v(2) + qmEFt(2) - part_temp%r(2) = part%r(2) + part_temp%v(2)*tauIn + !Update position + part%r = part%r + part%v*tauIn - !z - part_temp%v(3) = part%v(3) + qmEFt(3) - part_temp%r(3) = part%r(3) + part_temp%v(3)*tauIn + END SUBROUTINE pushCartElectrostatic - part = part_temp + SUBROUTINE pushCartElectromagnetic(part, tauIn) + USE moduleSPecies + USE moduleEM + USE moduleMath + IMPLICIT NONE - END SUBROUTINE pushCartCharged + TYPE(particle), INTENT(inout):: part + REAL(8), INTENT(in):: tauIn + REAL(8):: tauInHalf + REAL(8):: qmEFt(1:3) + REAL(8):: B(1:3), BNorm + REAL(8):: fn + REAL(8):: v_minus(1:3), v_prime(1:3), v_plus(1:3) + + tauInHalf = tauIn *0.5D0 + !Half of the force o f the electric field + qmEFt = part%qm*gatherElecField(part)*tauInHalf + + !Half step for electrostatic + v_minus = part%v + qmEFt + + !Full step rotation + B = gatherMagnField(part) + BNorm = NORM2(B) + IF (BNorm > 0.D0) THEN + fn = DTAN(part%qm * tauInHalf*BNorm) / Bnorm + v_prime = v_minus + fn * crossProduct(v_minus, B) + v_plus = v_minus + 2.D0 * fn / (1.D0 + fn**2 * B**2)*crossProduct(v_prime, B) + + PRINT *, v_minus, v_plus + + END IF + + !Half step for electrostatic + part%v = v_plus + qmEFt + + !Update position + part%r = part%r + part%v*tauIn + + END SUBROUTINE pushCartElectromagnetic !Push one particle. Boris pusher for 2D Cyl Neutral particle PURE SUBROUTINE push2DCylNeutral(part, tauIn) @@ -279,8 +292,8 @@ MODULE moduleSolver END SUBROUTINE push2DCylNeutral - !Push one particle. Boris pusher for 2D Cyl Charged particle - PURE SUBROUTINE push2DCylCharged(part, tauIn) + !Push one particle. Boris pusher for 2D Cyl Electrostatic particle + PURE SUBROUTINE push2DCylElectrostatic(part, tauIn) USE moduleSpecies USE moduleEM IMPLICIT NONE @@ -318,7 +331,7 @@ MODULE moduleSolver !Copy temporal particle to particle part=part_temp - END SUBROUTINE push2DCylCharged + END SUBROUTINE push2DCylElectrostatic !Push one particle. Boris pusher for 1D Radial Neutral particle PURE SUBROUTINE push1DRadNeutral(part, tauIn) @@ -355,8 +368,8 @@ MODULE moduleSolver END SUBROUTINE push1DRadNeutral - !Push one particle. Boris pusher for 1D Radial Charged particle - PURE SUBROUTINE push1DRadCharged(part, tauIn) + !Push one particle. Boris pusher for 1D Radial Electrostatic particle + PURE SUBROUTINE push1DRadElectrostatic(part, tauIn) USE moduleSpecies USE moduleEM IMPLICIT NONE @@ -391,7 +404,7 @@ MODULE moduleSolver !Copy temporal particle to particle part=part_temp - END SUBROUTINE push1DRadCharged + END SUBROUTINE push1DRadElectrostatic !Dummy pusher for 0D geometry PURE SUBROUTINE push0D(part, tauIn) From 97718209cc923576663644c2b2870a7b9636ecf7 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sat, 9 Apr 2022 09:00:40 +0200 Subject: [PATCH 04/15] Setting pushers as PURE Pushers were not set to PURE after testing. --- src/modules/moduleSolver.f90 | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/modules/moduleSolver.f90 b/src/modules/moduleSolver.f90 index 6e23c6f..4142549 100644 --- a/src/modules/moduleSolver.f90 +++ b/src/modules/moduleSolver.f90 @@ -27,7 +27,7 @@ MODULE moduleSolver INTERFACE !Push a particle - SUBROUTINE push_interafece(part, tauIn) + PURE SUBROUTINE push_interafece(part, tauIn) USE moduleSpecies TYPE(particle), INTENT(inout):: part @@ -214,7 +214,7 @@ MODULE moduleSolver END SUBROUTINE pushCartElectrostatic - SUBROUTINE pushCartElectromagnetic(part, tauIn) + PURE SUBROUTINE pushCartElectromagnetic(part, tauIn) USE moduleSPecies USE moduleEM USE moduleMath From 78a97ed7a0d5f238f014095c1ff45f9e7cbf8074 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Sat, 23 Apr 2022 18:57:27 +0200 Subject: [PATCH 05/15] Improve to collisions Improvement into the collision model to better compute number of particles collisions. --- src/modules/mesh/0D/moduleMesh0D.f90 | 2 +- src/modules/mesh/1DCart/moduleMesh1DCart.f90 | 2 +- src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 2 +- src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 4 +- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 4 +- src/modules/mesh/3DCart/moduleMesh3DCart.f90 | 2 +- src/modules/mesh/moduleMesh.f90 | 74 ++++- src/modules/moduleCollisions.f90 | 324 ++++++++----------- src/modules/moduleInput.f90 | 18 +- src/modules/moduleMath.f90 | 10 + src/modules/moduleRefParam.f90 | 2 +- src/modules/moduleSolver.f90 | 2 - 12 files changed, 227 insertions(+), 219 deletions(-) diff --git a/src/modules/mesh/0D/moduleMesh0D.f90 b/src/modules/mesh/0D/moduleMesh0D.f90 index 93fd4bd..40ce55e 100644 --- a/src/modules/mesh/0D/moduleMesh0D.f90 +++ b/src/modules/mesh/0D/moduleMesh0D.f90 @@ -76,7 +76,7 @@ MODULE moduleMesh0D self%volume = 1.D0 self%n1%v = 1.D0 - self%sigmaVrelMax = sigma_ref/L_ref**2 + self%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) CALL OMP_INIT_LOCK(self%lock) diff --git a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 index fe755fa..f3f8131 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 @@ -216,7 +216,7 @@ MODULE moduleMesh1DCart self%n1%v = self%n1%v + self%arNodes(1) self%n2%v = self%n2%v + self%arNodes(2) - self%sigmaVrelMax = sigma_ref/L_ref**2 + self%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) CALL OMP_INIT_LOCK(self%lock) diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index 6fc3c66..c03e91d 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -218,7 +218,7 @@ MODULE moduleMesh1DRad self%n1%v = self%n1%v + self%arNodes(1) self%n2%v = self%n2%v + self%arNodes(2) - self%sigmaVrelMax = sigma_ref/L_ref**2 + self%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) CALL OMP_INIT_LOCK(self%lock) diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index 4b23ff1..5c8a937 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -307,7 +307,7 @@ MODULE moduleMesh2DCart self%n3%v = self%n3%v + self%arNodes(3) self%n4%v = self%n4%v + self%arNodes(4) - self%sigmaVrelMax = sigma_ref/L_ref**2 + self%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) CALL OMP_INIT_LOCK(self%lock) @@ -634,7 +634,7 @@ MODULE moduleMesh2DCart self%n2%v = self%n2%v + self%arNodes(2) self%n3%v = self%n3%v + self%arNodes(3) - self%sigmaVrelMax = sigma_ref/L_ref**2 + self%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) CALL OMP_INIT_LOCK(self%lock) diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 1e4e580..d4192f1 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -295,7 +295,7 @@ MODULE moduleMesh2DCyl self%n3%v = self%n3%v + self%arNodes(3) self%n4%v = self%n4%v + self%arNodes(4) - self%sigmaVrelMax = sigma_ref/L_ref**2 + self%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) CALL OMP_INIT_LOCK(self%lock) @@ -655,7 +655,7 @@ MODULE moduleMesh2DCyl self%n2%v = self%n2%v + self%arNodes(2) self%n3%v = self%n3%v + self%arNodes(3) - self%sigmaVrelMax = sigma_ref/L_ref**2 + self%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) CALL OMP_INIT_LOCK(self%lock) diff --git a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 index d6a6391..24454d2 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 @@ -281,7 +281,7 @@ MODULE moduleMesh3DCart self%n3%v = self%n3%v + volNodes(3) self%n4%v = self%n4%v + volNodes(4) - self%sigmaVrelMax = sigma_ref/L_ref**2 + self%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) CALL OMP_INIT_LOCK(self%lock) diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 9547304..8cc2497 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -662,17 +662,24 @@ MODULE moduleMesh CLASS(meshVol), POINTER:: vol INTEGER:: nPart !Number of particles inside the cell REAL(8):: pMax !Maximum probability of collision - INTEGER:: rnd !random index + TYPE(pointerArray), ALLOCATABLE:: partTemp(:) + INTEGER:: i, j !random particle indexes TYPE(particle), POINTER:: part_i, part_j INTEGER:: n !collision INTEGER:: ij, k - REAL(8):: sigmaVrelMaxNew - TYPE(pointerArray), ALLOCATABLE:: partTemp(:) + REAL(8):: vRel, eRel + REAL(8):: sigmaVrelTotal + REAL(8), ALLOCATABLE:: sigmaVrel(:), probabilityColl(:) + REAL(8):: rnd !Random number for collision + INTEGER:: realCollisions IF (MOD(t, everyColl) == 0) THEN !Collisions need to be performed in this iteration !$OMP DO SCHEDULE(DYNAMIC) DO e=1, self%numVols + + realCollisions = 0 + vol => self%vols(e)%obj nPart = vol%listPart_in%amount @@ -694,21 +701,54 @@ MODULE moduleMesh END IF DO n = 1, vol%nColl - !Select random numbers - rnd = random(1, nPart) - part_i => partTemp(rnd)%part - rnd = random(1, nPart) - part_j => partTemp(rnd)%part - ij = interactionIndex(part_i%species%n, part_j%species%n) - sigmaVrelMaxNew = 0.D0 - DO k = 1, interactionMatrix(ij)%amount - CALL interactionMatrix(ij)%collisions(k)%obj%collide(vol%sigmaVrelMax, sigmaVrelMaxNew, part_i, part_j) - + !Select random different particles + i = 0 + j = 0 + DO WHILE (i == j) + i = random(1, nPart) + j = random(1, nPart) END DO + part_i => partTemp(i)%part + part_j => partTemp(j)%part + !TODO: I think that from here forward it can be passed to a procedure in interactionMatrix + ij = interactionIndex(part_i%species%n, part_j%species%n) - !Update maximum cross section*v_rel per each collision - IF (sigmaVrelMaxNew > vol%sigmaVrelMax) THEN - vol%sigmaVrelMax = sigmaVrelMaxNew + IF (interactionMatrix(ij)%amount > 0) THEN + !Obtain the cross sections for the different processes + vRel = NORM2(part_i%v-part_j%v) + eRel = interactionMatrix(ij)%rMass*vRel**2 + CALL interactionMatrix(ij)%getSigmaVrel(vRel, eRel, sigmaVrelTotal, sigmaVrel) + + !Update maximum sigma*v_rel + IF (sigmaVrelTotal > vol%sigmaVrelMax) THEN + vol%sigmaVrelMax = sigmaVrelTotal + + END IF + + ALLOCATE(probabilityColl(0:interactionMatrix(ij)%amount)) + probabilityColl(0) = 0.0 + probabilityColl(1:interactionMatrix(ij)%amount) = sigmaVrel/vol%sigmaVrelMax + + !Selects random number between 0 and 1 + rnd = random() + + !If the random number is below the total probability of collision, do collisions + IF (rnd < sigmaVrelTotal / vol%sigmaVrelMax) THEN + + !Loop over collisions + DO k = 1, interactionMatrix(ij)%amount + IF (SUM(probabilityColl(0:k-1)) + rnd <= probabilityColl(k)) THEN + CALL interactionMatrix(ij)%collisions(k)%obj%collide(part_i, part_j, vRel) + realCollisions = realCollisions + 1 + + END IF + + END DO + + END IF + + !Deallocate arrays for next collision + DEALLOCATE(sigmaVrel, probabilityColl) END IF @@ -716,6 +756,8 @@ MODULE moduleMesh END IF + vol%nColl = realCollisions + END DO !$OMP END DO diff --git a/src/modules/moduleCollisions.f90 b/src/modules/moduleCollisions.f90 index 2f22204..b651236 100644 --- a/src/modules/moduleCollisions.f90 +++ b/src/modules/moduleCollisions.f90 @@ -7,8 +7,6 @@ MODULE moduleCollisions !Abstract type for collision between two particles TYPE, ABSTRACT:: collisionBinary - REAL(8):: rMass !Reduced mass - REAL(8):: sMassInv !Summed mass TYPE(table1D):: crossSec !cross section of collision CONTAINS PROCEDURE(collideBinary_interface), PASS, DEFERRED:: collide @@ -16,14 +14,13 @@ MODULE moduleCollisions END TYPE collisionBinary ABSTRACT INTERFACE - SUBROUTINE collideBinary_interface(self, sigmaVRelMax, sigmaVrelMaxNew, part_i, part_j) + SUBROUTINE collideBinary_interface(self, part_i, part_j, vRel) USE moduleSpecies IMPORT:: collisionBinary CLASS(collisionBinary), INTENT(in):: self - REAL(8), INTENT(in):: sigmaVrelMax - REAL(8), INTENT(inout):: sigmaVrelMaxNew TYPE(particle), INTENT(inout), TARGET:: part_i, part_j + REAL(8), INTENT(in):: vRel END SUBROUTINE @@ -71,9 +68,11 @@ MODULE moduleCollisions !Type for interaction matrix TYPE:: interactionsBinary INTEGER:: amount + REAL(8):: rMass !Reduced mass TYPE(collisionCont), ALLOCATABLE:: collisions(:) CONTAINS PROCEDURE, PASS:: init => initInteractionBinary + PROCEDURE, PASS:: getSigmaVrel => getSigmaVrelBinary END TYPE interactionsBinary @@ -85,13 +84,14 @@ MODULE moduleCollisions CONTAINS !Velocity of center of mass of two particles PURE FUNCTION velocityCM(m_i, v_i, m_j, v_j) RESULT(vCM) + IMPLICIT NONE REAL(8), INTENT(in):: m_i, m_j REAL(8), INTENT(in), DIMENSION(1:3):: v_i, v_j REAL(8):: vCM(1:3) - vCM = (m_i*v_i + m_j*v_j)/(m_i + m_j) + vCM = (m_i*v_i + m_j*v_j) / (m_i + m_j) END FUNCTION velocityCM @@ -123,6 +123,9 @@ MODULE moduleCollisions nInteractions = (nSpecies*(nSpecies+1))/2 ALLOCATE(interactionMatrix(1:nInteractions)) + interactionMatrix(:)%amount = 0 + interactionMatrix(:)%rMass = 0.D0 + END SUBROUTINE initInteractionMatrix !Gets the interaction index from the collision matrix from index i,j @@ -139,21 +142,46 @@ MODULE moduleCollisions END FUNCTION interactionIndex !Inits the binary interaction - SUBROUTINE initInteractionBinary(self, amount) + SUBROUTINE initInteractionBinary(self, amount, mass_i, mass_j) + USE moduleMath IMPLICIT NONE CLASS(interactionsBinary), INTENT(inout):: self INTEGER, INTENT(in):: amount + REAL(8), INTENT(in):: mass_i, mass_j self%amount = amount + self%rMass = reducedMass(mass_i, mass_j) + ALLOCATE(self%collisions(1:self%amount)) END SUBROUTINE initInteractionBinary + SUBROUTINE getSigmaVrelBinary (self, vRel, eRel, sigmaVrelTotal, sigmaVrel) + IMPLICIT NONE + + CLASS(interactionsBinary), INTENT(in):: self + REAL(8), INTENT(in):: vRel, eRel + REAL(8), INTENT(out):: sigmaVrelTotal + REAL(8), INTENT(out), ALLOCATABLE:: sigmaVrel(:) + INTEGER:: k + + sigmaVrelTotal = 0.D0 + + ALLOCATE(sigmaVrel(1:self%amount)) + + DO k = 1, self%amount + sigmaVrel(k) = self%collisions(k)%obj%crossSec%get(eRel)*vRel + + END DO + sigmaVrelTotal = SUM(sigmaVrel) + + END SUBROUTINE getSigmaVrelBinary + !ELASTIC COLLISIONS !Inits binary elastic collision - SUBROUTINE initBinaryElastic(collision, crossSectionFilename, mass_i, mass_j) + SUBROUTINE initBinaryElastic(collision, crossSectionFilename) USE moduleTable USE moduleRefParam USE moduleConstParam @@ -161,7 +189,6 @@ MODULE moduleCollisions CLASS(collisionBinary), INTENT(out), ALLOCATABLE:: collision CHARACTER(:), ALLOCATABLE, INTENT(in):: crossSectionFilename - REAL(8), INTENT(in):: mass_i, mass_j ALLOCATE(collisionBinaryElastic:: collision) @@ -171,15 +198,10 @@ MODULE moduleCollisions !Convert to no-dimensional units CALL collision%crossSec%convert(eV2J/(m_ref*v_ref**2), 1.D0/L_ref**2) - !Calculates reduced mass - collision%sMassInv = 1.D0/(mass_i+mass_j) - collision%rMass = (mass_i*mass_j)*collision%sMassInv - END SUBROUTINE initBinaryElastic !Binary elastic process - SUBROUTINE collideBinaryElastic(self, sigmaVrelMax, sigmaVrelMaxNew, & - part_i, part_j) + SUBROUTINE collideBinaryElastic(self, part_i, part_j, vRel) USE moduleSpecies USE moduleConstParam USE moduleRandom @@ -187,38 +209,27 @@ MODULE moduleCollisions IMPLICIT NONE CLASS(collisionBinaryElastic), INTENT(in):: self - REAL(8), INTENT(in):: sigmaVrelMax - REAL(8), INTENT(inout):: sigmaVrelMaxNew TYPE(particle), INTENT(inout), TARGET:: part_i, part_j - REAL(8):: sigmaVrel - REAL(8):: vRel !relative velocity - REAL(8):: eRel !relative energy + REAL(8), INTENT(in):: vRel REAL(8):: m_i, m_j REAL(8), DIMENSION(1:3):: vCM REAL(8):: vp(1:3) - vRel = NORM2(part_i%v-part_j%v) - eRel = self%rMass*vRel**2 - sigmaVrel = self%crossSec%get(eRel)*vRel - sigmaVrelMaxNew = sigmaVrelMaxNew + sigmaVrel - IF (sigmaVrelMaxNew/sigmaVrelMax > random()) THEN - m_i = part_i%species%m - m_j = part_j%species%m - !Applies the collision - vCM = velocityCM(m_i, part_i%v, m_j, part_j%v) - vp = vRel*randomDirectionVHS() + m_i = part_i%species%m + m_j = part_j%species%m + !Applies the collision + vCM = velocityCM(m_i, part_i%v, m_j, part_j%v) + vp = vRel*randomDirectionVHS() - !Assign velocities to particles - part_i%v = vCM + m_j*vp*self%sMassInv - part_j%v = vCM - m_i*vp*self%sMassInv - - END IF + !Assign velocities to particles + part_i%v = vCM + m_j*vp / (m_i + m_j) + part_j%v = vCM - m_i*vp / (m_i + m_j) END SUBROUTINE collideBinaryElastic !ELECTRON IMPACT IONIZATION !Inits electron impact ionization - SUBROUTINE initBinaryIonization(collision, crossSectionFilename, energyThreshold, mass_i, mass_j, electron) + SUBROUTINE initBinaryIonization(collision, crossSectionFilename, energyThreshold, electron) USE moduleTable USE moduleRefParam USE moduleConstParam @@ -229,7 +240,6 @@ MODULE moduleCollisions CLASS(collisionBinary), INTENT(out), ALLOCATABLE:: collision CHARACTER(:), ALLOCATABLE, INTENT(in):: crossSectionFilename REAL(8), INTENT(in):: energyThreshold - REAL(8), INTENT(in):: mass_i, mass_j CHARACTER(:), ALLOCATABLE, INTENT(in):: electron INTEGER:: electronIndex @@ -241,10 +251,6 @@ MODULE moduleCollisions !Convert to no-dimensional units CALL collision%crossSec%convert(eV2J/(m_ref*v_ref**2), 1.D0/L_ref**2) - !Calculates reduced mass - collision%sMassInv = 1.D0/(mass_i+mass_j) - collision%rMass = (mass_i*mass_j)*collision%sMassInv - !Specific parameters for ionization collision SELECT TYPE(collision) TYPE IS(collisionBinaryIonization) @@ -267,8 +273,7 @@ MODULE moduleCollisions END SUBROUTINE initBinaryIonization !Binary electron impact ionization process - SUBROUTINE collideBinaryIonization(self, sigmaVrelMax, sigmaVrelMaxNew, & - part_i, part_j) + SUBROUTINE collideBinaryIonization(self, part_i, part_j, vRel) USE moduleSpecies USE moduleErrors USE moduleList @@ -278,80 +283,71 @@ MODULE moduleCollisions IMPLICIT NONE CLASS(collisionBinaryIonization), INTENT(in):: self - REAL(8), INTENT(in):: sigmaVrelMax - REAL(8), INTENT(inout):: sigmaVrelMaxNew TYPE(particle), INTENT(inout), TARGET:: part_i, part_j + REAL(8), INTENT(in):: vRel + REAL(8):: rMass, eRel TYPE(particle), POINTER:: electron => NULL(), neutral => NULL() TYPE(particle), POINTER:: newElectron - REAL(8):: vRel, eRel - REAL(8):: sigmaVrel REAL(8), DIMENSION(1:3):: vp_e, vp_n - !eRel (in units of [m][L]^2[t]^-2 - vRel = NORM2(part_i%v-part_j%v) - eRel = self%rMass*vRel**2 + rMass = reducedMass(part_i%species%m, part_j%species%m) + eRel = rMass*vRel**2 !Relative energy must be higher than threshold IF (eRel > self%eThreshold) THEN - sigmaVrel = self%crossSec%get(eRel)*vRel - sigmaVrelMaxNew = sigmaVrelMaxNew + sigmaVrel - IF (sigmaVrelMaxNew/sigmaVrelMax > random()) THEN - !Find which particle is the ionizing electron - IF (ASSOCIATED(part_i%species, self%electron)) THEN - electron => part_i - neutral => part_j + IF (ASSOCIATED(part_i%species, self%electron)) THEN + electron => part_i + neutral => part_j - ELSEIF(ASSOCIATED(part_j%species, self%electron)) THEN - electron => part_j - neutral => part_i + ELSEIF(ASSOCIATED(part_j%species, self%electron)) THEN + electron => part_j + neutral => part_i - ELSE - CALL criticalError("No matching between input particles and ionizing species", 'collideBinaryIonization') - - END IF - - !Exchange energy between - vp_e = electron%v*(1.D0 - self%deltaV/NORM2(electron%v)) - vp_n = neutral%v* (1.D0 + self%deltaV/NORM2(neutral%v) ) - - !Changes velocity of impacting electron - electron%v = vp_e - - !Creates a new electron from ionization - ALLOCATE(newElectron) - newElectron%species => electron%species - newElectron%v = vp_n - newElectron%r = neutral%r - newElectron%xi = neutral%xi - newElectron%n_in = .TRUE. - newElectron%vol = neutral%vol - newElectron%volColl = neutral%volColl - newElectron%weight = neutral%weight - newElectron%qm = electron%qm - - !Ionize neutral particle - SELECT TYPE(sp => neutral%species) - TYPE IS(speciesNeutral) - CALL sp%ionize(neutral) - - CLASS DEFAULT - CALL criticalError(sp%name // " is not a neutral", 'collideBinaryIonization') - - END SELECT - - !Adds new electron to list of new particles from collisions - CALL OMP_SET_LOCK(lockCollisions) - CALL partCollisions%add(newElectron) - CALL OMP_UNSET_LOCK(lockCollisions) + ELSE + CALL criticalError("No matching between input particles and ionizing species", 'collideBinaryIonization') END IF + !Exchange energy between + vp_e = electron%v*(1.D0 - self%deltaV/NORM2(electron%v)) + vp_n = neutral%v* (1.D0 + self%deltaV/NORM2(neutral%v) ) + + !Changes velocity of impacting electron + electron%v = vp_e + + !Creates a new electron from ionization + ALLOCATE(newElectron) + newElectron%species => electron%species + newElectron%v = vp_n + newElectron%r = neutral%r + newElectron%xi = neutral%xi + newElectron%n_in = .TRUE. + newElectron%vol = neutral%vol + newElectron%volColl = neutral%volColl + newElectron%weight = neutral%weight + newElectron%qm = electron%qm + + !Ionize neutral particle + SELECT TYPE(sp => neutral%species) + TYPE IS(speciesNeutral) + CALL sp%ionize(neutral) + + CLASS DEFAULT + CALL criticalError(sp%name // " is not a neutral", 'collideBinaryIonization') + + END SELECT + + !Adds new electron to list of new particles from collisions + CALL OMP_SET_LOCK(lockCollisions) + CALL partCollisions%add(newElectron) + CALL OMP_UNSET_LOCK(lockCollisions) + END IF END SUBROUTINE collideBinaryIonization !ELECTRON ION RESONANT RECOMBINATION !Inits electron ion recombination - SUBROUTINE initBinaryRecombination(collision, crossSectionFilename, energyBinding, mass_i, mass_j, electron) + SUBROUTINE initBinaryRecombination(collision, crossSectionFilename, energyBinding, electron) USE moduleTable USE moduleRefParam USE moduleConstParam @@ -362,7 +358,6 @@ MODULE moduleCollisions CLASS(collisionBinary), INTENT(out), ALLOCATABLE:: collision CHARACTER(:), ALLOCATABLE, INTENT(in):: crossSectionFilename REAL(8), INTENT(in):: energyBinding - REAL(8), INTENT(in):: mass_i, mass_j CHARACTER(:), ALLOCATABLE, INTENT(in):: electron INTEGER:: electronIndex @@ -374,10 +369,6 @@ MODULE moduleCollisions !Convert to no-dimensional units CALL collision%crossSec%convert(eV2J/(m_ref*v_ref**2), 1.D0/L_ref**2) - !Calculates reduced mass - collision%sMassInv = 1.D0/(mass_i+mass_j) - collision%rMass = (mass_i*mass_j)*collision%sMassInv - !Specific parameters for ionization collision SELECT TYPE(collision) TYPE IS(collisionBinaryRecombination) @@ -399,9 +390,8 @@ MODULE moduleCollisions END SUBROUTINE initBinaryRecombination - !Binary electron impact ionization process - SUBROUTINE collideBinaryRecombination(self, sigmaVrelMax, sigmaVrelMaxNew, & - part_i, part_j) + !Binary recombination + SUBROUTINE collideBinaryRecombination(self, part_i, part_j, vRel) USE moduleSpecies USE moduleErrors USE moduleList @@ -410,59 +400,47 @@ MODULE moduleCollisions IMPLICIT NONE CLASS(collisionBinaryRecombination), INTENT(in):: self - REAL(8), INTENT(in):: sigmaVrelMax - REAL(8), INTENT(inout):: sigmaVrelMaxNew + REAL(8), INTENT(in):: vRel TYPE(particle), INTENT(inout), TARGET:: part_i, part_j TYPE(particle), POINTER:: electron => NULL(), ion => NULL() - REAL(8):: vRel, eRel REAL(8):: sigmaVrel REAL(8), DIMENSION(1:3):: vp_i - !eRel (in units of [m][L]^2[t]^-2 - vRel = NORM2(part_i%v-part_j%v) - eRel = self%rMass*vRel**2 - !Relative energy must be higher than threshold - sigmaVrel = self%crossSec%get(eRel)*vRel - sigmaVrelMaxNew = sigmaVrelMaxNew + sigmaVrel - IF (sigmaVrelMaxNew/sigmaVrelMax > random()) THEN - !Find which particle is the ionizing electron - IF (ASSOCIATED(part_i%species, self%electron)) THEN - electron => part_i - ion => part_j + IF (ASSOCIATED(part_i%species, self%electron)) THEN + electron => part_i + ion => part_j - ELSEIF(ASSOCIATED(part_j%species, self%electron)) THEN - electron => part_j - ion => part_i + ELSEIF(ASSOCIATED(part_j%species, self%electron)) THEN + electron => part_j + ion => part_i - ELSE - CALL criticalError("No matching between input particles and ionizing species", 'collideBinaryIonization') - - END IF - - !Excess energy - !TODO: This energy should be transformed into photons - vp_i = ion%v* (1.D0 - (vRel + self%deltaV)/NORM2(ion%v)) - - !Remove electron from simulation - electron%n_in = .FALSE. - - !Neutralize ion particle - SELECT TYPE(sp => ion%species) - TYPE IS(speciesCharged) - CALL sp%neutralize(ion) - - CLASS DEFAULT - CALL criticalError(sp%name // " is not a charge", 'collideBinaryRecombination') - - END SELECT + ELSE + CALL criticalError("No matching between input particles and ionizing species", 'collideBinaryIonization') END IF + !Excess energy + !TODO: This energy should be transformed into photons + vp_i = ion%v* (1.D0 - (vRel + self%deltaV)/NORM2(ion%v)) + + !Remove electron from simulation + electron%n_in = .FALSE. + + !Neutralize ion particle + SELECT TYPE(sp => ion%species) + TYPE IS(speciesCharged) + CALL sp%neutralize(ion) + + CLASS DEFAULT + CALL criticalError(sp%name // " is not a charge", 'collideBinaryRecombination') + + END SELECT + END SUBROUTINE collideBinaryRecombination !RESONANT CHARGE EXCHANGE !Inits resonant charge exchange - SUBROUTINE initBinaryChargeExchange(collision, crossSectionFilename, mass_i, mass_j) + SUBROUTINE initBinaryChargeExchange(collision, crossSectionFilename) USE moduleTable USE moduleRefParam USE moduleConstParam @@ -470,7 +448,6 @@ MODULE moduleCollisions CLASS(collisionBinary), INTENT(out), ALLOCATABLE:: collision CHARACTER(:), ALLOCATABLE, INTENT(in):: crossSectionFilename - REAL(8), INTENT(in):: mass_i, mass_j ALLOCATE(collisionBinaryChargeExchange:: collision) @@ -480,56 +457,39 @@ MODULE moduleCollisions !Convert to no-dimensional units CALL collision%crossSec%convert(eV2J/(m_ref*v_ref**2), 1.D0/L_ref**2) - !Calculates reduced mass - collision%sMassInv = 1.D0/(mass_i+mass_j) - collision%rMass = (mass_i*mass_j)/collision%sMassInv - END SUBROUTINE initBinaryChargeExchange - SUBROUTINE collideBinaryChargeExchange(self, sigmaVrelMax, sigmaVrelMaxNew, & - part_i, part_j) + SUBROUTINE collideBinaryChargeExchange(self, part_i, part_j, vRel) USE moduleSpecies USE moduleRandom USE moduleMath IMPLICIT NONE CLASS(collisionBinaryChargeExchange), INTENT(in):: self - REAL(8), INTENT(in):: sigmaVrelMax - REAL(8), INTENT(inout):: sigmaVrelMaxNew + REAL(8), INTENT(in):: vRel TYPE(particle), INTENT(inout), TARGET:: part_i, part_j - REAL(8):: sigmaVrel - REAL(8):: vRel !relative velocity - REAL(8):: eRel !relative energy - !eRel (in units of [m][L]^2[t]^-2 - vRel = NORM2(part_i%v-part_j%v) - eRel = self%rMass*vRel**2 - sigmaVrel = self%crossSec%get(eRel)*vRel - sigmaVrelMaxNew = sigmaVrelMaxNew + sigmaVrel - IF (sigmaVrelMaxNew/sigmaVrelMax > random()) THEN - SELECT TYPE(sp => part_i%species) - TYPE IS (speciesNeutral) - !Species i is neutral, ionize particle i - CALL sp%ionize(part_i) + SELECT TYPE(sp => part_i%species) + TYPE IS (speciesNeutral) + !Species i is neutral, ionize particle i + CALL sp%ionize(part_i) - TYPE IS (speciesCharged) - !Species i is charged, neutralize particle i - CALL sp%neutralize(part_i) + TYPE IS (speciesCharged) + !Species i is charged, neutralize particle i + CALL sp%neutralize(part_i) - END SELECT + END SELECT - SELECT TYPE(sp => part_j%species) - TYPE IS (speciesNeutral) - !Species j is neutral, ionize particle j - CALL sp%ionize(part_j) + SELECT TYPE(sp => part_j%species) + TYPE IS (speciesNeutral) + !Species j is neutral, ionize particle j + CALL sp%ionize(part_j) - TYPE IS (speciesCharged) - !Species j is charged, neutralize particle j - CALL sp%neutralize(part_j) + TYPE IS (speciesCharged) + !Species j is charged, neutralize particle j + CALL sp%neutralize(part_j) - END SELECT - - END IF + END SELECT END SUBROUTINE collideBinaryChargeExchange diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index 31e2588..5d90f62 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -133,16 +133,16 @@ MODULE moduleInput IF (.NOT. found) CALL criticalError('Reference temperature not found','readReference') !If a reference cross section is given, it is used - CALL config%get(object // '.crossSection', sigma_ref, found) + CALL config%get(object // '.sigmaVrel', sigmavRel_ref, found) !If not, the reference radius is searched IF (.NOT. found) THEN CALL config%get(object // '.radius', r_ref, found) IF (found) THEN - sigma_ref = PI*(r_ref+r_ref)**2 !reference cross section + sigmaVrel_ref = PI*(r_ref+r_ref)**2*v_ref !reference cross section times velocity ELSE - sigma_ref = 0.D0 !Assume no collisions + sigmaVrel_ref = 0.D0 !Assume no collisions END IF @@ -685,7 +685,7 @@ MODULE moduleInput CALL config%info(object // '.cTypes', found, n_children = nCollisions) ij = interactionIndex(pt_i,pt_j) !Allocates the required number of collisions per each pair of species ij - CALL interactionMatrix(ij)%init(nCollisions) + CALL interactionMatrix(ij)%init(nCollisions, species(pt_i)%obj%m, species(pt_j)%obj%m) DO k = 1, nCollisions WRITE (kString, '(I2)') k @@ -700,13 +700,11 @@ MODULE moduleInput SELECT CASE(cType) CASE ('elastic') !Elastic collision - CALL initBinaryElastic(interactionMatrix(ij)%collisions(k)%obj, & - crossSecFilePath, species(pt_i)%obj%m, species(pt_j)%obj%m) + CALL initBinaryElastic(interactionMatrix(ij)%collisions(k)%obj, crossSecFilePath) CASE ('chargeExchange') !Resonant charge exchange - CALL initBinaryChargeExchange(interactionMatrix(ij)%collisions(k)%obj, & - crossSecFilePath, species(pt_i)%obj%m, species(pt_j)%obj%m) + CALL initBinaryChargeExchange(interactionMatrix(ij)%collisions(k)%obj, crossSecFilePath) CASE ('ionization') !Electorn impact ionization @@ -715,7 +713,7 @@ MODULE moduleInput CALL config%get(object // '.electron', electron, found) IF (.NOT. found) CALL criticalError('electron not found for collision' // object, 'readInteractions') CALL initBinaryIonization(interactionMatrix(ij)%collisions(k)%obj, & - crossSecFilePath, energyThreshold, species(pt_i)%obj%m, species(pt_j)%obj%m, electron) + crossSecFilePath, energyThreshold, electron) CASE ('recombination') !Electorn impact ionization @@ -724,7 +722,7 @@ MODULE moduleInput CALL config%get(object // '.electron', electron, found) IF (.NOT. found) CALL criticalError('electron not found for collision' // object, 'readInteractions') CALL initBinaryRecombination(interactionMatrix(ij)%collisions(k)%obj, & - crossSecFilePath, energyBinding, species(pt_i)%obj%m, species(pt_j)%obj%m, electron) + crossSecFilePath, energyBinding, electron) CASE DEFAULT CALL criticalError('Collision type' // cType // 'not defined yet', 'readInteractions') diff --git a/src/modules/moduleMath.f90 b/src/modules/moduleMath.f90 index 9bc8453..ca8d780 100644 --- a/src/modules/moduleMath.f90 +++ b/src/modules/moduleMath.f90 @@ -49,4 +49,14 @@ MODULE moduleMath END FUNCTION norm1 + PURE FUNCTION reducedMass(m_i, m_j) RESULT(rMass) + IMPLICIT NONE + + REAL(8), INTENT(in):: m_i, m_j + REAL(8):: rMass + + rMass = (m_i * m_j) / (m_i + m_j) + + END FUNCTION + END MODULE moduleMath diff --git a/src/modules/moduleRefParam.f90 b/src/modules/moduleRefParam.f90 index 2dacc21..051190b 100644 --- a/src/modules/moduleRefParam.f90 +++ b/src/modules/moduleRefParam.f90 @@ -1,7 +1,7 @@ !Reference parameters MODULE moduleRefParam !Parameters that define the problem (inputs) - REAL(8):: n_ref, m_ref, T_ref, r_ref, debye_ref, sigma_ref + REAL(8):: n_ref, m_ref, T_ref, r_ref, debye_ref, sigmaVrel_ref !Reference parameters for non-dimensional problem REAL(8):: L_ref, v_ref, ti_ref, Vol_ref, EF_ref, Volt_ref, B_ref diff --git a/src/modules/moduleSolver.f90 b/src/modules/moduleSolver.f90 index 4142549..48d3dbc 100644 --- a/src/modules/moduleSolver.f90 +++ b/src/modules/moduleSolver.f90 @@ -243,8 +243,6 @@ MODULE moduleSolver v_prime = v_minus + fn * crossProduct(v_minus, B) v_plus = v_minus + 2.D0 * fn / (1.D0 + fn**2 * B**2)*crossProduct(v_prime, B) - PRINT *, v_minus, v_plus - END IF !Half step for electrostatic From 4e9514876e2dcaa0b6a26045cc308efbfaefff31 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sat, 23 Apr 2022 19:00:33 +0200 Subject: [PATCH 06/15] Number of collisions per collision pair Now the number of collisions is calculated per species pair. This allows that the randomly particles selected for collisions do not have collisions assigned. --- src/modules/mesh/0D/moduleMesh0D.f90 | 4 + src/modules/mesh/1DCart/moduleMesh1DCart.f90 | 3 + src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 3 + src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 6 ++ src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 6 ++ src/modules/mesh/3DCart/moduleMesh3DCart.f90 | 3 + src/modules/mesh/moduleMesh.f90 | 104 ++++++++++++------- src/modules/moduleCollisions.f90 | 8 +- src/modules/moduleInput.f90 | 2 +- src/modules/moduleSolver.f90 | 18 +++- 10 files changed, 111 insertions(+), 46 deletions(-) diff --git a/src/modules/mesh/0D/moduleMesh0D.f90 b/src/modules/mesh/0D/moduleMesh0D.f90 index 93fd4bd..6bae02f 100644 --- a/src/modules/mesh/0D/moduleMesh0D.f90 +++ b/src/modules/mesh/0D/moduleMesh0D.f90 @@ -63,6 +63,7 @@ MODULE moduleMesh0D !Inits dummy 0D volume SUBROUTINE initVol0D(self, n, p, nodes) USE moduleRefParam + USE moduleSpecies IMPLICIT NONE CLASS(meshVol0D), INTENT(out):: self @@ -80,6 +81,9 @@ MODULE moduleMesh0D CALL OMP_INIT_LOCK(self%lock) + ALLOCATE(self%listPart_in(1:nSpecies)) + ALLOCATE(self%totalWeight(1:nSpecies)) + END SUBROUTINE initVol0D PURE FUNCTION getNodes0D(self) RESULT(n) diff --git a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 index fe755fa..9c8b039 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 @@ -220,6 +220,9 @@ MODULE moduleMesh1DCart CALL OMP_INIT_LOCK(self%lock) + ALLOCATE(self%listPart_in(1:nSpecies)) + ALLOCATE(self%totalWeight(1:nSpecies)) + END SUBROUTINE initVol1DCartSegm !Calculates a random position in 1D volume diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index 6fc3c66..20c732e 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -222,6 +222,9 @@ MODULE moduleMesh1DRad CALL OMP_INIT_LOCK(self%lock) + ALLOCATE(self%listPart_in(1:nSpecies)) + ALLOCATE(self%totalWeight(1:nSpecies)) + END SUBROUTINE initVol1DRadSegm !Calculates a random position in 1D volume diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index 4b23ff1..e0765da 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -311,6 +311,9 @@ MODULE moduleMesh2DCart CALL OMP_INIT_LOCK(self%lock) + ALLOCATE(self%listPart_in(1:nSpecies)) + ALLOCATE(self%totalWeight(1:nSpecies)) + END SUBROUTINE initVolQuad2DCart !Computes element area @@ -638,6 +641,9 @@ MODULE moduleMesh2DCart CALL OMP_INIT_LOCK(self%lock) + ALLOCATE(self%listPart_in(1:nSpecies)) + ALLOCATE(self%totalWeight(1:nSpecies)) + END SUBROUTINE initVolTria2DCart !Random position in quadrilateral volume diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 1e4e580..a12aec8 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -299,6 +299,9 @@ MODULE moduleMesh2DCyl CALL OMP_INIT_LOCK(self%lock) + ALLOCATE(self%listPart_in(1:nSpecies)) + ALLOCATE(self%totalWeight(1:nSpecies)) + END SUBROUTINE initVolQuad2DCyl !Computes element area @@ -659,6 +662,9 @@ MODULE moduleMesh2DCyl CALL OMP_INIT_LOCK(self%lock) + ALLOCATE(self%listPart_in(1:nSpecies)) + ALLOCATE(self%totalWeight(1:nSpecies)) + END SUBROUTINE initVolTria2DCyl !Random position in quadrilateral volume diff --git a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 index d6a6391..b310457 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 @@ -285,6 +285,9 @@ MODULE moduleMesh3DCart CALL OMP_INIT_LOCK(self%lock) + ALLOCATE(self%listPart_in(1:nSpecies)) + ALLOCATE(self%totalWeight(1:nSpecies)) + END SUBROUTINE initVolTetra3DCart !Random position in volume tetrahedron diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 9547304..a4b88cf 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -152,13 +152,13 @@ MODULE moduleMesh !Volume REAL(8):: volume = 0.D0 !List of particles inside the volume - TYPE(listNode):: listPart_in + TYPE(listNode), ALLOCATABLE:: listPart_in(:) !Lock indicator for listPart_in INTEGER(KIND=OMP_LOCK_KIND):: lock !Number of collisions per volume INTEGER:: nColl = 0 !Total weight of particles inside cell - REAL(8):: totalWeight = 0.D0 + REAL(8), ALLOCATABLE:: totalWeight(:) CONTAINS PROCEDURE(initVol_interface), DEFERRED, PASS:: init PROCEDURE(getNodesVol_interface), DEFERRED, PASS:: getNodes @@ -516,6 +516,7 @@ MODULE moduleMesh CLASS(meshVol), OPTIONAL, INTENT(in):: oldCell REAL(8):: xi(1:3) CLASS(meshElement), POINTER:: nextElement + INTEGER:: sp xi = self%phy2log(part%r) !Checks if particle is inside 'self' cell @@ -525,8 +526,9 @@ MODULE moduleMesh part%n_in = .TRUE. !Assign particle to listPart_in CALL OMP_SET_LOCK(self%lock) - CALL self%listPart_in%add(part) - self%totalWeight = self%totalWeight + part%weight + sp = part%species%n + CALL self%listPart_in(sp)%add(part) + self%totalWeight(sp) = self%totalWeight(sp) + part%weight CALL OMP_UNSET_LOCK(self%lock) ELSE @@ -586,6 +588,7 @@ MODULE moduleMesh CLASS(meshVol), POINTER:: vol REAL(8), DIMENSION(1:3):: xii CLASS(meshElement), POINTER:: nextElement + INTEGER:: sp found = .FALSE. @@ -595,8 +598,9 @@ MODULE moduleMesh IF (vol%inside(xii)) THEN part%volColl = vol%n CALL OMP_SET_LOCK(vol%lock) - CALL vol%listPart_in%add(part) - vol%totalWeight = vol%totalWeight + part%weight + sp = part%species%n + CALL vol%listPart_in(sp)%add(part) + vol%totalWeight(sp) = vol%totalWeight(sp) + part%weight CALL OMP_UNSET_LOCK(vol%lock) found = .TRUE. @@ -660,61 +664,83 @@ MODULE moduleMesh INTEGER, INTENT(in):: t INTEGER:: e CLASS(meshVol), POINTER:: vol - INTEGER:: nPart !Number of particles inside the cell + INTEGER:: k, nPairs, i, j + INTEGER:: nPart_i, nPart_j, nPart!Number of particles inside the cell REAL(8):: pMax !Maximum probability of collision + TYPE(pointerArray), ALLOCATABLE:: partTemp_i(:), partTemp_j(:) INTEGER:: rnd !random index TYPE(particle), POINTER:: part_i, part_j - INTEGER:: n !collision - INTEGER:: ij, k + INTEGER:: n, c REAL(8):: sigmaVrelMaxNew - TYPE(pointerArray), ALLOCATABLE:: partTemp(:) IF (MOD(t, everyColl) == 0) THEN !Collisions need to be performed in this iteration !$OMP DO SCHEDULE(DYNAMIC) DO e=1, self%numVols vol => self%vols(e)%obj - nPart = vol%listPart_in%amount - !Resets the number of collisions - vol%nColl = 0 + !TODO: Simplify this, to many sublevels + !Iterate over the number of pairs + nPairs = SIZE(interactionMatrix) !TODO: This does not change, make a variable in a module + DO k = 1, nPairs + IF (interactionMatrix(k)%amount > 0) THEN + !Select the species for the collision pair + i = interactionMatrix(k)%sp_i%n + j = interactionMatrix(k)%sp_j%n - !Calculates number of collisions if there is more than one particle in the cell - IF (nPart > 1) THEN - !Probability of collision - pMax = vol%totalWeight*vol%sigmaVrelMax*tauColl/vol%volume + !Number of particles per species in the collision pair + nPart_i = vol%listPart_in(i)%amount + nPart_j = vol%listPart_in(j)%amount - !Number of collisions in the cell - vol%nColl = NINT(REAL(nPart)*pMax*0.5D0) + IF (nPart_i > 0 .AND. nPart_j > 0) THEN + !Total number of particles for the collision pair + nPart = nPart_i + nPart_j - IF (vol%nColl > 0) THEN - !Converts the list of particles to an array for easy access - partTemp = vol%listPart_in%convert2Array() + !Resets the number of collisions in the cell + vol%nColl = 0 - END IF + !Probability of collision for pair i-j + pMax = (vol%totalWeight(i) + vol%totalWeight(j))*vol%sigmaVrelMax*tauColl/vol%volume - DO n = 1, vol%nColl - !Select random numbers - rnd = random(1, nPart) - part_i => partTemp(rnd)%part - rnd = random(1, nPart) - part_j => partTemp(rnd)%part - ij = interactionIndex(part_i%species%n, part_j%species%n) - sigmaVrelMaxNew = 0.D0 - DO k = 1, interactionMatrix(ij)%amount - CALL interactionMatrix(ij)%collisions(k)%obj%collide(vol%sigmaVrelMax, sigmaVrelMaxNew, part_i, part_j) + !Number of collisions in the cell + vol%nColl = NINT(REAL(nPart)*pMax*0.5D0) - END DO + !Converts the list of particles to an array for easy access + IF (vol%nColl > 0) THEN + partTemp_i = vol%listPart_in(i)%convert2Array() + partTemp_j = vol%listPart_in(j)%convert2Array() - !Update maximum cross section*v_rel per each collision - IF (sigmaVrelMaxNew > vol%sigmaVrelMax) THEN - vol%sigmaVrelMax = sigmaVrelMaxNew + END IF + + !Do collisions + DO n = 1, vol%nColl + !Select random particles + rnd = random(1, nPart_i) + part_i => partTemp_i(rnd)%part + rnd = random(1, nPart_j) + part_j => partTemp_j(rnd)%part + + !Check all possible collisions in the pair + !TODO: Stop when collision occurs (and count it) + sigmaVrelMaxNew = 0.D0 + DO c = 1, interactionMatrix(k)%amount + CALL interactionMatrix(k)%collisions(c)%obj%collide(vol%sigmaVrelMax, sigmaVrelMaxNew, part_i, part_j) + + END DO + + !Update maximum cross section*v_rel per each collision + IF (sigmaVrelMaxNew > vol%sigmaVrelMax) THEN + vol%sigmaVrelMax = sigmaVrelMaxNew + + END IF + + END DO END IF - END DO + END IF - END IF + END DO END DO !$OMP END DO diff --git a/src/modules/moduleCollisions.f90 b/src/modules/moduleCollisions.f90 index 2f22204..394b3cb 100644 --- a/src/modules/moduleCollisions.f90 +++ b/src/modules/moduleCollisions.f90 @@ -70,6 +70,8 @@ MODULE moduleCollisions !Type for interaction matrix TYPE:: interactionsBinary + CLASS(speciesGeneric), POINTER:: sp_i + CLASS(speciesGeneric), POINTER:: sp_j INTEGER:: amount TYPE(collisionCont), ALLOCATABLE:: collisions(:) CONTAINS @@ -139,11 +141,15 @@ MODULE moduleCollisions END FUNCTION interactionIndex !Inits the binary interaction - SUBROUTINE initInteractionBinary(self, amount) + SUBROUTINE initInteractionBinary(self, amount, i, j) IMPLICIT NONE CLASS(interactionsBinary), INTENT(inout):: self INTEGER, INTENT(in):: amount + INTEGER, INTENT(in):: i, j + + self%sp_i => species(i)%obj + self%sp_j => species(j)%obj self%amount = amount diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index 31e2588..4ceca04 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -685,7 +685,7 @@ MODULE moduleInput CALL config%info(object // '.cTypes', found, n_children = nCollisions) ij = interactionIndex(pt_i,pt_j) !Allocates the required number of collisions per each pair of species ij - CALL interactionMatrix(ij)%init(nCollisions) + CALL interactionMatrix(ij)%init(nCollisions, pt_i, pt_j) DO k = 1, nCollisions WRITE (kString, '(I2)') k diff --git a/src/modules/moduleSolver.f90 b/src/modules/moduleSolver.f90 index 4142549..b89c7e8 100644 --- a/src/modules/moduleSolver.f90 +++ b/src/modules/moduleSolver.f90 @@ -243,8 +243,6 @@ MODULE moduleSolver v_prime = v_minus + fn * crossProduct(v_minus, B) v_plus = v_minus + 2.D0 * fn / (1.D0 + fn**2 * B**2)*crossProduct(v_prime, B) - PRINT *, v_minus, v_plus - END IF !Half step for electrostatic @@ -459,6 +457,7 @@ MODULE moduleSolver INTEGER, SAVE:: nPartNew INTEGER, SAVE:: nInjIn, nOldIn, nWScheme, nCollisions, nSurfaces TYPE(particle), ALLOCATABLE, SAVE:: partTemp(:) + INTEGER:: s !$OMP SECTIONS !$OMP SECTION @@ -545,7 +544,10 @@ MODULE moduleSolver !Erase the list of particles inside the cell DO e = 1, mesh%numVols mesh%vols(e)%obj%totalWeight = 0.D0 - CALL mesh%vols(e)%obj%listPart_in%erase() + DO s = 1, nSpecies + CALL mesh%vols(e)%obj%listPart_in(s)%erase() + + END DO END DO @@ -553,7 +555,10 @@ MODULE moduleSolver !Erase the list of particles inside the cell in coll mesh DO e = 1, meshColl%numVols meshColl%vols(e)%obj%totalWeight = 0.D0 - CALL meshColl%vols(e)%obj%listPart_in%erase() + DO s = 1, nSpecies + CALL meshColl%vols(e)%obj%listPart_in(s)%erase() + + END DO END DO @@ -687,6 +692,7 @@ MODULE moduleSolver REAL(8):: newWeight TYPE(particle), POINTER:: newPart INTEGER:: p + INTEGER:: sp newWeight = part%weight / nSplit @@ -699,12 +705,14 @@ MODULE moduleSolver ALLOCATE(newPart) !Copy data from original particle newPart = part + !Add particle to list of new particles from weighting scheme CALL OMP_SET_LOCK(lockWScheme) CALL partWScheme%add(newPart) CALL OMP_UNSET_LOCK(lockWScheme) !Add particle to cell list CALL OMP_SET_lock(vol%lock) - CALL vol%listPart_in%add(newPart) + sp = part%species%n + CALL vol%listPart_in(sp)%add(newPart) CALL OMP_UNSET_lock(vol%lock) END DO From 23e2fe9bae8758ae617e90d3a5521a42464d5a8b Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Fri, 10 Jun 2022 16:07:14 +0200 Subject: [PATCH 07/15] I'm dying with hay fever but I have to commit I'm feeling awful but I have work in my desktop that I need to commit so I can work with my laptop while I'm at the IEPC 2022 in Boston. --- data/collisions/EL_e-Ar.dat | 3 + data/collisions/IO_e-Li.dat | 148 ++++++++++++++++++ src/modules/mesh/0D/moduleMesh0D.f90 | 2 - src/modules/mesh/1DCart/moduleMesh1DCart.f90 | 2 - src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 2 - src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 4 - src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 4 - src/modules/mesh/3DCart/moduleMesh3DCart.f90 | 2 - .../mesh/inout/0D/moduleMeshOutput0D.f90 | 3 +- .../inout/gmsh2/moduleMeshOutputGmsh2.f90 | 29 ++-- src/modules/mesh/moduleMesh.f90 | 65 +++++--- src/modules/mesh/moduleMeshBoundary.f90 | 7 - src/modules/moduleCollisions.f90 | 70 +++++---- src/modules/moduleInject.f90 | 35 +++-- src/modules/moduleInput.f90 | 58 ++++--- src/modules/moduleSolver.f90 | 14 +- src/modules/moduleSpecies.f90 | 5 +- 17 files changed, 313 insertions(+), 140 deletions(-) create mode 100644 data/collisions/EL_e-Ar.dat create mode 100644 data/collisions/IO_e-Li.dat diff --git a/data/collisions/EL_e-Ar.dat b/data/collisions/EL_e-Ar.dat new file mode 100644 index 0000000..097729e --- /dev/null +++ b/data/collisions/EL_e-Ar.dat @@ -0,0 +1,3 @@ +# Relative energy (eV) cross section (m^2) +0.0 1e-20 +1000.0 1e-20 diff --git a/data/collisions/IO_e-Li.dat b/data/collisions/IO_e-Li.dat new file mode 100644 index 0000000..5e646f4 --- /dev/null +++ b/data/collisions/IO_e-Li.dat @@ -0,0 +1,148 @@ +# Rusudan I., et al., Atoms 9(4):90 2021 +# Relative energy (eV) cross section (m^2) +5.393 1.061E-23 +6.000 5.885E-21 +7.000 1.352E-20 +8.000 1.927E-20 +9.000 2.364E-20 +10.000 2.698E-20 +11.000 2.956E-20 +12.000 3.156E-20 +13.000 3.309E-20 +14.000 3.427E-20 +15.000 3.517E-20 +16.000 3.585E-20 +17.000 3.635E-20 +18.000 3.670E-20 +19.000 3.694E-20 +20.000 3.708E-20 +21.000 3.714E-20 +22.000 3.714E-20 +23.000 3.709E-20 +24.000 3.700E-20 +25.000 3.686E-20 +26.000 3.671E-20 +27.000 3.652E-20 +28.000 3.632E-20 +29.000 3.610E-20 +30.000 3.588E-20 +31.000 3.564E-20 +32.000 3.539E-20 +33.000 3.514E-20 +34.000 3.488E-20 +35.000 3.462E-20 +36.000 3.435E-20 +37.000 3.409E-20 +38.000 3.383E-20 +39.000 3.356E-20 +40.000 3.330E-20 +41.000 3.304E-20 +42.000 3.277E-20 +43.000 3.252E-20 +44.000 3.226E-20 +45.000 3.201E-20 +46.000 3.175E-20 +47.000 3.151E-20 +48.000 3.126E-20 +49.000 3.102E-20 +50.000 3.078E-20 +51.000 3.054E-20 +52.000 3.031E-20 +53.000 3.008E-20 +54.000 2.985E-20 +55.000 2.963E-20 +56.000 2.941E-20 +57.000 2.919E-20 +58.000 2.898E-20 +59.000 2.877E-20 +60.000 2.856E-20 +61.000 2.835E-20 +62.000 2.815E-20 +63.000 2.795E-20 +64.000 2.776E-20 +65.000 2.756E-20 +66.000 2.737E-20 +67.000 2.719E-20 +68.000 2.700E-20 +69.000 2.682E-20 +70.000 2.664E-20 +71.000 2.646E-20 +72.000 2.629E-20 +73.000 2.612E-20 +74.000 2.595E-20 +75.000 2.578E-20 +76.000 2.562E-20 +77.000 2.546E-20 +78.000 2.530E-20 +79.000 2.514E-20 +80.000 2.499E-20 +81.000 2.483E-20 +82.000 2.468E-20 +83.000 2.453E-20 +84.000 2.439E-20 +85.000 2.424E-20 +86.000 2.410E-20 +87.000 2.396E-20 +88.000 2.382E-20 +89.000 2.369E-20 +90.000 2.355E-20 +91.000 2.342E-20 +92.000 2.329E-20 +93.000 2.316E-20 +94.000 2.303E-20 +95.000 2.290E-20 +96.000 2.278E-20 +97.000 2.266E-20 +98.000 2.253E-20 +99.000 2.241E-20 +100.000 2.230E-20 +101.000 2.218E-20 +102.000 2.206E-20 +103.000 2.195E-20 +104.000 2.184E-20 +105.000 2.173E-20 +106.000 2.162E-20 +107.000 2.151E-20 +108.000 2.140E-20 +109.000 2.129E-20 +110.000 2.119E-20 +111.000 2.109E-20 +112.000 2.098E-20 +113.000 2.088E-20 +114.000 2.078E-20 +115.000 2.068E-20 +116.000 2.059E-20 +117.000 2.049E-20 +118.000 2.039E-20 +119.000 2.030E-20 +120.000 2.021E-20 +121.000 2.011E-20 +122.000 2.002E-20 +123.000 1.993E-20 +124.000 1.984E-20 +125.000 1.976E-20 +126.000 1.967E-20 +127.000 1.958E-20 +128.000 1.950E-20 +129.000 1.941E-20 +130.000 1.933E-20 +131.000 1.924E-20 +132.000 1.916E-20 +133.000 1.908E-20 +134.000 1.900E-20 +135.000 1.892E-20 +136.000 1.884E-20 +137.000 1.877E-20 +138.000 1.869E-20 +139.000 1.861E-20 +140.000 1.854E-20 +141.000 1.846E-20 +142.000 1.839E-20 +143.000 1.831E-20 +144.000 1.824E-20 +145.000 1.817E-20 +146.000 1.810E-20 +147.000 1.803E-20 +148.000 1.796E-20 +149.000 1.789E-20 +150.000 1.782E-20 diff --git a/src/modules/mesh/0D/moduleMesh0D.f90 b/src/modules/mesh/0D/moduleMesh0D.f90 index d908dd5..8e8072d 100644 --- a/src/modules/mesh/0D/moduleMesh0D.f90 +++ b/src/modules/mesh/0D/moduleMesh0D.f90 @@ -77,8 +77,6 @@ MODULE moduleMesh0D self%volume = 1.D0 self%n1%v = 1.D0 - self%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) - CALL OMP_INIT_LOCK(self%lock) ALLOCATE(self%listPart_in(1:nSpecies)) diff --git a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 index 2ad9251..0a846d9 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 @@ -216,8 +216,6 @@ MODULE moduleMesh1DCart self%n1%v = self%n1%v + self%arNodes(1) self%n2%v = self%n2%v + self%arNodes(2) - self%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) - CALL OMP_INIT_LOCK(self%lock) ALLOCATE(self%listPart_in(1:nSpecies)) diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index d8c0cb1..57619ee 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -218,8 +218,6 @@ MODULE moduleMesh1DRad self%n1%v = self%n1%v + self%arNodes(1) self%n2%v = self%n2%v + self%arNodes(2) - self%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) - CALL OMP_INIT_LOCK(self%lock) ALLOCATE(self%listPart_in(1:nSpecies)) diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index 8be8473..d01c0e4 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -307,8 +307,6 @@ MODULE moduleMesh2DCart self%n3%v = self%n3%v + self%arNodes(3) self%n4%v = self%n4%v + self%arNodes(4) - self%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) - CALL OMP_INIT_LOCK(self%lock) ALLOCATE(self%listPart_in(1:nSpecies)) @@ -637,8 +635,6 @@ MODULE moduleMesh2DCart self%n2%v = self%n2%v + self%arNodes(2) self%n3%v = self%n3%v + self%arNodes(3) - self%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) - CALL OMP_INIT_LOCK(self%lock) ALLOCATE(self%listPart_in(1:nSpecies)) diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 02ff673..0a6b7f4 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -295,8 +295,6 @@ MODULE moduleMesh2DCyl self%n3%v = self%n3%v + self%arNodes(3) self%n4%v = self%n4%v + self%arNodes(4) - self%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) - CALL OMP_INIT_LOCK(self%lock) ALLOCATE(self%listPart_in(1:nSpecies)) @@ -658,8 +656,6 @@ MODULE moduleMesh2DCyl self%n2%v = self%n2%v + self%arNodes(2) self%n3%v = self%n3%v + self%arNodes(3) - self%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) - CALL OMP_INIT_LOCK(self%lock) ALLOCATE(self%listPart_in(1:nSpecies)) diff --git a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 index 23acdd2..0add18a 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 @@ -281,8 +281,6 @@ MODULE moduleMesh3DCart self%n3%v = self%n3%v + volNodes(3) self%n4%v = self%n4%v + volNodes(4) - self%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) - CALL OMP_INIT_LOCK(self%lock) ALLOCATE(self%listPart_in(1:nSpecies)) diff --git a/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 b/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 index 13e25ff..15045b1 100644 --- a/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 +++ b/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 @@ -45,6 +45,7 @@ MODULE moduleMeshOutput0D CLASS(meshGeneric), INTENT(inout):: self INTEGER, INTENT(in):: t CHARACTER(:), ALLOCATABLE:: fileName + INTEGER:: k fileName='OUTPUT_Collisions.dat' IF (t == 0) THEN @@ -56,7 +57,7 @@ MODULE moduleMeshOutput0D END IF OPEN(20, file = path // folder // '/' // fileName, position = 'append', action = 'write') - WRITE(20, "(ES20.6E3, I20)") REAL(t)*tauMin*ti_ref, self%vols(1)%obj%nColl + WRITE(20, "(ES20.6E3, 10I20)") REAL(t)*tauMin*ti_ref, (self%vols(1)%obj%tallyColl(k)%tally, k=1,nCollPairs) CLOSE(20) END SUBROUTINE printColl0D diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 index e63a73c..40eda4f 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 @@ -98,6 +98,7 @@ MODULE moduleMeshOutputGmsh2 CLASS(meshGeneric), INTENT(inout):: self INTEGER, INTENT(in):: t INTEGER:: numEdges + INTEGER:: k, c INTEGER:: n REAL(8):: time CHARACTER(:), ALLOCATABLE:: fileName @@ -125,19 +126,23 @@ MODULE moduleMeshOutputGmsh2 WRITE(60, "(A)") '$MeshFormat' WRITE(60, "(A)") '2.2 0 8' WRITE(60, "(A)") '$EndMeshFormat' - WRITE(60, "(A)") '$ElementData' - WRITE(60, "(A)") '1' - WRITE(60, "(A)") '"Collisions"' - WRITE(60, *) 1 - WRITE(60, *) time - WRITE(60, *) 3 - WRITE(60, *) t - WRITE(60, *) 1 - WRITE(60, *) self%numVols - DO n=1, self%numVols - WRITE(60, "(I6,I10)") n + numEdges, self%vols(n)%obj%nColl + DO k = 1, nCollPairs + DO c = 1, interactionMatrix(k)%amount + WRITE(60, "(A)") '$ElementData' + WRITE(60, "(A)") '1' + WRITE(60, "(5A,I2)") '"Pair ', interactionMatrix(k)%sp_i%name, '-', interactionMatrix(k)%sp_j%name, ' collision ', c + WRITE(60, *) 1 + WRITE(60, *) time + WRITE(60, *) 3 + WRITE(60, *) t + WRITE(60, *) 1 + WRITE(60, *) self%numVols + DO n=1, self%numVols + WRITE(60, "(I6,I10)") n + numEdges, self%vols(n)%obj%tallyColl(k)%tally(c) + END DO + WRITE(60, "(A)") '$EndElementData' + END DO END DO - WRITE(60, "(A)") '$EndElementData' CLOSE(60) diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index e7d98f3..142b78d 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -3,6 +3,7 @@ MODULE moduleMesh USE moduleList USE moduleOutput USE moduleBoundary + USE moduleCollisions IMPLICIT NONE !Generic mesh element @@ -148,15 +149,15 @@ MODULE moduleMesh !Parent of Volume element TYPE, PUBLIC, ABSTRACT, EXTENDS(meshElement):: meshVol !Maximum collision rate - REAL(8):: sigmaVrelMax = 0.D0 + REAL(8), ALLOCATABLE:: sigmaVrelMax(:) + !Arrays for counting number of collisions + TYPE(tallyCollisions), ALLOCATABLE:: tallyColl(:) !Volume REAL(8):: volume = 0.D0 !List of particles inside the volume TYPE(listNode), ALLOCATABLE:: listPart_in(:) !Lock indicator for listPart_in INTEGER(KIND=OMP_LOCK_KIND):: lock - !Number of collisions per volume - INTEGER:: nColl = 0 !Total weight of particles inside cell REAL(8), ALLOCATABLE:: totalWeight(:) CONTAINS @@ -658,15 +659,17 @@ MODULE moduleMesh USE moduleList use moduleRefParam USE moduleRandom + USE moduleOutput IMPLICIT NONE CLASS(meshGeneric), INTENT(inout), TARGET:: self INTEGER, INTENT(in):: t INTEGER:: e CLASS(meshVol), POINTER:: vol - INTEGER:: k, nPairs, i, j + INTEGER:: k, i, j INTEGER:: nPart_i, nPart_j, nPart!Number of particles inside the cell REAL(8):: pMax !Maximum probability of collision + INTEGER:: nColl TYPE(pointerArray), ALLOCATABLE:: partTemp_i(:), partTemp_j(:) TYPE(particle), POINTER:: part_i, part_j INTEGER:: n, c @@ -674,21 +677,23 @@ MODULE moduleMesh REAL(8):: sigmaVrelTotal REAL(8), ALLOCATABLE:: sigmaVrel(:), probabilityColl(:) REAL(8):: rnd !Random number for collision - INTEGER:: realCollisions IF (MOD(t, everyColl) == 0) THEN !Collisions need to be performed in this iteration - !$OMP DO SCHEDULE(DYNAMIC) + !$OMP DO SCHEDULE(DYNAMIC) PRIVATE(part_i, part_j, partTemp_i, partTemp_j) DO e=1, self%numVols - realCollisions = 0 - vol => self%vols(e)%obj !TODO: Simplify this, to many sublevels !Iterate over the number of pairs - nPairs = SIZE(interactionMatrix) !TODO: This does not change, make a variable in a module - DO k = 1, nPairs + DO k = 1, nCollPairs + !Reset tally of collisions + IF (collOutput) THEN + vol%tallyColl(k)%tally = 0 + + END IF + IF (interactionMatrix(k)%amount > 0) THEN !Select the species for the collision pair i = interactionMatrix(k)%sp_i%n @@ -703,22 +708,22 @@ MODULE moduleMesh nPart = nPart_i + nPart_j !Resets the number of collisions in the cell - vol%nColl = 0 + nColl = 0 !Probability of collision for pair i-j - pMax = (vol%totalWeight(i) + vol%totalWeight(j))*vol%sigmaVrelMax*tauColl/vol%volume + pMax = (vol%totalWeight(i) + vol%totalWeight(j))*vol%sigmaVrelMax(k)*tauColl/vol%volume !Number of collisions in the cell - vol%nColl = NINT(REAL(nPart)*pMax*0.5D0) + nColl = NINT(REAL(nPart)*pMax*0.5D0) !Converts the list of particles to an array for easy access - IF (vol%nColl > 0) THEN + IF (nColl > 0) THEN partTemp_i = vol%listPart_in(i)%convert2Array() partTemp_j = vol%listPart_in(j)%convert2Array() END IF - DO n = 1, vol%nColl + DO n = 1, nColl !Select random particles part_i => NULL() part_j => NULL() @@ -735,13 +740,12 @@ MODULE moduleMesh !If particles do not belong to the species, skip collision !This can happen, for example, if particle has been previously ionized or removed - !TODO: Try to find a way to no lose these collisions. Check new 'k' and use that for the collision, maybe? + !TODO: Try to find a way to no lose these collisions. Maybe check new 'k' and use that for the collision, maybe? IF (part_i%species%n /= i .OR. & part_j%species%n /= j) THEN CYCLE END IF - !Obtain the cross sections for the different processes !TODO: From here it might be a procedure in interactionMatrix vRel = NORM2(part_i%v-part_j%v) @@ -749,26 +753,34 @@ MODULE moduleMesh CALL interactionMatrix(k)%getSigmaVrel(vRel, eRel, sigmaVrelTotal, sigmaVrel) !Update maximum sigma*v_rel - IF (sigmaVrelTotal > vol%sigmaVrelMax) THEN - vol%sigmaVrelMax = sigmaVrelTotal + IF (sigmaVrelTotal > vol%sigmaVrelMax(k)) THEN + vol%sigmaVrelMax(k) = sigmaVrelTotal END IF ALLOCATE(probabilityColl(0:interactionMatrix(k)%amount)) - probabilityColl(0) = 0.0 - probabilityColl(1:interactionMatrix(k)%amount) = sigmaVrel/vol%sigmaVrelMax + probabilityColl = 0.0 + DO c = 1, interactionMatrix(k)%amount + probabilityColl(c) = sigmaVrel(c)/vol%sigmaVrelMax(k) + SUM(probabilityColl(0:c-1)) + + END DO !Selects random number between 0 and 1 rnd = random() !If the random number is below the total probability of collision, collide particles - IF (rnd < sigmaVrelTotal / vol%sigmaVrelMax) THEN + IF (rnd < sigmaVrelTotal / vol%sigmaVrelMax(k)) THEN !Loop over collisions DO c = 1, interactionMatrix(k)%amount - IF (SUM(probabilityColl(0:c-1)) + rnd <= probabilityColl(c)) THEN + IF (rnd <= probabilityColl(c)) THEN CALL interactionMatrix(k)%collisions(c)%obj%collide(part_i, part_j, vRel) - realCollisions = realCollisions + 1 + + !If collisions are gonna be output, count the collision + IF (collOutput) THEN + vol%tallyColl(k)%tally(c) = vol%tallyColl(k)%tally(c) + 1 + + END IF !A collision has ocurred, exit the loop EXIT @@ -782,16 +794,17 @@ MODULE moduleMesh !Deallocate arrays for next collision DEALLOCATE(sigmaVrel, probabilityColl) + !End loop collisions in cell END DO END IF END IF + !End loop collision pairs END DO - vol%nColl = realCollisions - + !End loop volumes END DO !$OMP END DO diff --git a/src/modules/mesh/moduleMeshBoundary.f90 b/src/modules/mesh/moduleMeshBoundary.f90 index 4f54e92..5f3bc26 100644 --- a/src/modules/mesh/moduleMeshBoundary.f90 +++ b/src/modules/mesh/moduleMeshBoundary.f90 @@ -159,13 +159,6 @@ MODULE moduleMeshBoundary newElectron%xi = mesh%vols(part%vol)%obj%phy2log(newElectron%r) newIon%xi = newElectron%xi - newElectron%qm = part%qm - SELECT TYPE(spe => bound%species) - TYPE IS(speciesCharged) - newIon%qm = spe%qm - - END SELECT - newElectron%weight = bound%species%weight newIon%weight = newElectron%weight diff --git a/src/modules/moduleCollisions.f90 b/src/modules/moduleCollisions.f90 index 01571c6..47cace6 100644 --- a/src/modules/moduleCollisions.f90 +++ b/src/modules/moduleCollisions.f90 @@ -78,6 +78,14 @@ MODULE moduleCollisions END TYPE interactionsBinary + !Type to count number of collisions + TYPE:: tallyCollisions + INTEGER, ALLOCATABLE:: tally(:) + + END TYPE + + !Number of collision pairs (nSpecies*(nSpecies+1)/2) + INTEGER:: nCollPairs = 0 !Collision 'Matrix'. A symmetric 2D matrix put into a 1D array to save memory TYPE(interactionsBinary), ALLOCATABLE, TARGET:: interactionMatrix(:) !Folder for collision cross section tables @@ -120,10 +128,9 @@ MODULE moduleCollisions IMPLICIT NONE TYPE(interactionsBinary), INTENT(inout), ALLOCATABLE:: interactionMatrix(:) - INTEGER:: nInteractions - nInteractions = (nSpecies*(nSpecies+1))/2 - ALLOCATE(interactionMatrix(1:nInteractions)) + nCollPairs = (nSpecies*(nSpecies+1))/2 + ALLOCATE(interactionMatrix(1:nCollPairs)) interactionMatrix(:)%amount = 0 interactionMatrix(:)%rMass = 0.D0 @@ -222,8 +229,7 @@ MODULE moduleCollisions TYPE(particle), INTENT(inout), TARGET:: part_i, part_j REAL(8), INTENT(in):: vRel REAL(8):: m_i, m_j - REAL(8), DIMENSION(1:3):: vCM - REAL(8):: vp(1:3) + REAL(8), DIMENSION(1:3):: vCM, vp m_i = part_i%species%m m_j = part_j%species%m @@ -232,13 +238,8 @@ MODULE moduleCollisions vp = vRel*randomDirectionVHS() !Assign velocities to particles - PRINT *, part_i%v part_i%v = vCM + m_j*vp / (m_i + m_j) - PRINT *, part_i%v - PRINT *, part_j%v part_j%v = vCM - m_i*vp / (m_i + m_j) - PRINT *, part_j%v - PRINT * END SUBROUTINE collideBinaryElastic @@ -273,16 +274,21 @@ MODULE moduleCollisions !Input energy is in eV. Convert to J with ev2J and then to !non-dimensional units. collision%eThreshold = energyThreshold*eV2J/(m_ref*v_ref**2) + !species for impacting electron electronIndex = speciesName2Index(electron) SELECT TYPE(sp => species(electronIndex)%obj) TYPE IS(speciesCharged) collision%electron => sp CLASS DEFAULT - CALL criticalError("Species " // sp%name // " chosen for ionization is not a charged species", 'initBinaryIonization') + CALL criticalError("Species " // sp%name // " chosen for " // & + "secondary electron is not a charged species", 'initBinaryIonization') END SELECT + !momentum change per ionization process + collision%deltaV = sqrt(collision%eThreshold / collision%electron%m) + END SELECT END SUBROUTINE initBinaryIonization @@ -302,8 +308,8 @@ MODULE moduleCollisions REAL(8), INTENT(in):: vRel REAL(8):: rMass, eRel TYPE(particle), POINTER:: electron => NULL(), neutral => NULL() + REAL(8), DIMENSION(1:3):: vChange TYPE(particle), POINTER:: newElectron - REAL(8), DIMENSION(1:3):: vp_e, vp_n rMass = reducedMass(part_i%species%m, part_j%species%m) eRel = rMass*vRel**2 @@ -322,35 +328,35 @@ MODULE moduleCollisions END IF - !Exchange energy between - vp_e = electron%v*(1.D0 - self%deltaV/NORM2(electron%v)) - vp_n = neutral%v* (1.D0 + self%deltaV/NORM2(neutral%v) ) - - !Changes velocity of impacting electron - electron%v = vp_e - - !Creates a new electron from ionization - ALLOCATE(newElectron) - newElectron%species => electron%species - newElectron%v = vp_n - newElectron%r = neutral%r - newElectron%xi = neutral%xi - newElectron%n_in = .TRUE. - newElectron%vol = neutral%vol - newElectron%volColl = neutral%volColl - newElectron%weight = neutral%weight - newElectron%qm = electron%qm - !Ionize neutral particle SELECT TYPE(sp => neutral%species) TYPE IS(speciesNeutral) CALL sp%ionize(neutral) CLASS DEFAULT - CALL criticalError(sp%name // " is not a neutral", 'collideBinaryIonization') + ! CALL criticalError(sp%name // " is not a neutral", 'collideBinaryIonization') + RETURN END SELECT + !Exchange of velocity between particles + vChange = self%deltaV*randomDirectionVHS() + + !Energy is loss by the primary electron + electron%v = electron%v - vChange + + !Creates a new electron from ionization + ALLOCATE(newElectron) + newElectron%species => electron%species + !Secondary electorn gains energy from ionization + newElectron%v = vChange + newElectron%r = neutral%r + newElectron%xi = neutral%xi + newElectron%n_in = .TRUE. + newElectron%vol = neutral%vol + newElectron%volColl = neutral%volColl + newElectron%weight = neutral%weight + !Adds new electron to list of new particles from collisions CALL OMP_SET_LOCK(lockCollisions) CALL partCollisions%add(newElectron) diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index 9bfb35f..26f5ce1 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -82,6 +82,7 @@ MODULE moduleInject INTEGER, INTENT(in):: i REAL(8), INTENT(in):: v, n(1:3), T(1:3) INTEGER, INTENT(in):: sp, physicalSurface + REAL(8):: tauInject REAL(8), INTENT(in):: flow CHARACTER(:), ALLOCATABLE, INTENT(in):: units INTEGER:: e, et @@ -93,18 +94,19 @@ MODULE moduleInject self%n = n / NORM2(n) self%T = T / T_ref self%species => species(sp)%obj + tauInject = tau(self%species%n) SELECT CASE(units) CASE ("sccm") !Standard cubic centimeter per minute - self%nParticles = INT(flow*sccm2atomPerS*tauMin*ti_ref/species(sp)%obj%weight) + self%nParticles = INT(flow*sccm2atomPerS*tauInject*ti_ref/species(sp)%obj%weight) CASE ("A") !Input current in Ampers - self%nParticles = INT(flow*tauMin*ti_ref/(qe*species(sp)%obj%weight)) + self%nParticles = INT(flow*tauInject*ti_ref/(qe*species(sp)%obj%weight)) CASE ("part/s") !Input current in Ampers - self%nParticles = INT(flow*tauMin*ti_ref/species(sp)%obj%weight) + self%nParticles = INT(flow*tauInject*ti_ref/species(sp)%obj%weight) CASE DEFAULT CALL criticalError("No support for units: " // units, 'initInject') @@ -161,8 +163,6 @@ MODULE moduleInject END DO self%sumWeight = self%cumWeight(self%nEdges) - nPartInj = nPartInj + self%nParticles - END SUBROUTINE initInject !Injection of particles @@ -174,12 +174,24 @@ MODULE moduleInject INTEGER:: i !$OMP SINGLE + nPartInj = 0 + DO i = 1, nInject + IF (solver%pusher(inject(i)%species%n)%pushSpecies) THEN + nPartInj = nPartInj + inject(i)%nParticles + + END IF + + END DO + IF (ALLOCATED(partInj)) DEALLOCATE(partInj) ALLOCATE(partInj(1:nPartInj)) !$OMP END SINGLE DO i=1, nInject - CALL inject(i)%addParticles() + IF (solver%pusher(inject(i)%species%n)%pushSpecies) THEN + CALL inject(i)%addParticles() + + END IF END DO END SUBROUTINE doInjects @@ -240,7 +252,7 @@ MODULE moduleInject CLASS(injectGeneric), INTENT(in):: self INTEGER:: randomX INTEGER, SAVE:: nMin, nMax !Min and Max index in partInj array - INTEGER:: n + INTEGER:: n, sp CLASS(meshEdge), POINTER:: randomEdge !Insert particles @@ -251,12 +263,6 @@ MODULE moduleInject partInj(nMin:nMax)%weight = self%species%weight !Particle is considered to be outside the domain partInj(nMin:nMax)%n_in = .FALSE. - !Assign charge/mass to charged particle. - SELECT TYPE(sp => self%species) - TYPE IS(speciesCharged) - partInj(nMin:nMax)%qm = sp%qm - - END SELECT !$OMP END SINGLE !$OMP DO @@ -278,6 +284,7 @@ MODULE moduleInject END IF partInj(n)%volColl = randomEdge%eColl%n + sp = self%species%n !Assign particle type partInj(n)%species => self%species @@ -289,7 +296,7 @@ MODULE moduleInject !Obtain natural coordinates of particle in cell partInj(n)%xi = mesh%vols(partInj(n)%vol)%obj%phy2log(partInj(n)%r) !Push new particle with the minimum time step - CALL solver%pusher(self%species%n)%pushParticle(partInj(n), tauMin) + CALL solver%pusher(sp)%pushParticle(partInj(n), tau(sp)) !Assign cell to new particle CALL solver%updateParticleCell(partInj(n)) diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index 1e907ef..db9ea74 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -132,6 +132,15 @@ MODULE moduleInput CALL config%get(object // '.temperature', T_ref, found) IF (.NOT. found) CALL criticalError('Reference temperature not found','readReference') + !Derived parameters + L_ref = DSQRT(kb*T_ref*eps_0/n_ref)/qe !reference length + v_ref = DSQRT(kb*T_ref/m_ref) !reference velocity + ti_ref = L_ref/v_ref !reference time + Vol_ref = L_ref**3 !reference volume + EF_ref = qe*n_ref*L_ref/eps_0 !reference electric field + Volt_ref = EF_ref*L_ref !reference voltage + B_ref = m_ref / (ti_ref * qe) !reference magnetic field + !If a reference cross section is given, it is used CALL config%get(object // '.sigmaVrel', sigmavRel_ref, found) @@ -147,15 +156,6 @@ MODULE moduleInput END IF END IF - - !Derived parameters - L_ref = DSQRT(kb*T_ref*eps_0/n_ref)/qe !reference length - v_ref = DSQRT(kb*T_ref/m_ref) !reference velocity - ti_ref = L_ref/v_ref !reference time - Vol_ref = L_ref**3 !reference volume - EF_ref = qe*n_ref*L_ref/eps_0 !reference electric field - Volt_ref = EF_ref*L_ref !reference voltage - B_ref = m_ref / (ti_ref * qe) !reference magnetic field END SUBROUTINE readReference @@ -417,15 +417,6 @@ MODULE moduleInput END IF partNew%n_in = .TRUE. partNew%weight = species(sp)%obj%weight - !If charged species, add qm to particle - SELECT TYPE(sp => species(sp)%obj) - TYPE IS (speciesCharged) - partNew%qm = sp%qm - - CLASS DEFAULT - partNew%qm = 0.D0 - - END SELECT !Assign particle to temporal list of particles CALL partInitial%add(partNew) @@ -642,11 +633,13 @@ MODULE moduleInput CHARACTER(:), ALLOCATABLE:: crossSecFilePath CHARACTER(:), ALLOCATABLE:: cType LOGICAL:: found - INTEGER:: nInteractions, nCollisions + INTEGER:: nPairs, nCollisions INTEGER:: i, k, ij INTEGER:: pt_i, pt_j REAL(8):: energyThreshold, energyBinding CHARACTER(:), ALLOCATABLE:: electron + INTEGER:: e + CLASS(meshVol), POINTER:: vol !Firstly, checks if the object 'interactions' exists CALL config%info('interactions', found) @@ -681,8 +674,8 @@ MODULE moduleInput !Inits lock for list of particles CALL OMP_INIT_LOCK(lockCollisions) - CALL config%info('interactions.collisions', found, n_children = nInteractions) - DO i = 1, nInteractions + CALL config%info('interactions.collisions', found, n_children = nPairs) + DO i = 1, nPairs WRITE(iString, '(I2)') i object = 'interactions.collisions(' // TRIM(iString) // ')' CALL config%get(object // '.species_i', species_i, found) @@ -691,6 +684,7 @@ MODULE moduleInput pt_j = speciesName2Index(species_j) CALL config%info(object // '.cTypes', found, n_children = nCollisions) ij = interactionIndex(pt_i,pt_j) + !Allocates the required number of collisions per each pair of species ij CALL interactionMatrix(ij)%init(nCollisions, pt_i, pt_j) @@ -732,7 +726,7 @@ MODULE moduleInput crossSecFilePath, energyBinding, electron) CASE DEFAULT - CALL criticalError('Collision type' // cType // 'not defined yet', 'readInteractions') + CALL criticalError('Collision type' // cType // 'not defined', 'readInteractions') END SELECT @@ -740,6 +734,26 @@ MODULE moduleInput END DO + !Init the required arrays in each volume to account for MCC. + DO e = 1, meshForMCC%numVols + vol => meshForMCC%vols(e)%obj + + !Allocate Maximum cross section per collision pair and assign the initial collision rate + ALLOCATE(vol%sigmaVrelMax(1:nCollPairs)) + vol%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) + + IF (collOutput) THEN + ALLOCATE(vol%tallyColl(1:nCollPairs)) + DO k = 1, nCollPairs + ALLOCATE(vol%tallyColl(k)%tally(1:interactionmatrix(k)%amount)) + vol%tallyColl(k)%tally = 0 + + END DO + + END IF + + END DO + END IF END IF diff --git a/src/modules/moduleSolver.f90 b/src/modules/moduleSolver.f90 index f038ee7..017a321 100644 --- a/src/modules/moduleSolver.f90 +++ b/src/modules/moduleSolver.f90 @@ -165,7 +165,7 @@ MODULE moduleSolver INTEGER:: sp !$OMP DO - DO n=1, nPartOld + DO n = 1, nPartOld !Select species type sp = partOld(n)%species%n !Checks if the species sp is update this iteration @@ -204,7 +204,7 @@ MODULE moduleSolver REAL(8):: qmEFt(1:3) !Get the electric field at particle position - qmEFt = part%qm*gatherElecField(part)*tauIn + qmEFt = part%species%qm*gatherElecField(part)*tauIn !Update velocity part%v = part%v + qmEFt @@ -230,7 +230,7 @@ MODULE moduleSolver tauInHalf = tauIn *0.5D0 !Half of the force o f the electric field - qmEFt = part%qm*gatherElecField(part)*tauInHalf + qmEFt = part%species%qm*gatherElecField(part)*tauInHalf !Half step for electrostatic v_minus = part%v + qmEFt @@ -239,7 +239,7 @@ MODULE moduleSolver B = gatherMagnField(part) BNorm = NORM2(B) IF (BNorm > 0.D0) THEN - fn = DTAN(part%qm * tauInHalf*BNorm) / Bnorm + fn = DTAN(part%species%qm * tauInHalf*BNorm) / BNorm v_prime = v_minus + fn * crossProduct(v_minus, B) v_plus = v_minus + 2.D0 * fn / (1.D0 + fn**2 * B**2)*crossProduct(v_prime, B) @@ -305,7 +305,7 @@ MODULE moduleSolver part_temp = part !Get electric field at particle position - qmEFt = part_temp%qm*gatherElecField(part_temp)*tauIn + qmEFt = part_temp%species%qm*gatherElecField(part_temp)*tauIn !z part_temp%v(1) = part%v(1) + qmEFt(1) part_temp%r(1) = part%r(1) + part_temp%v(1)*tauIn @@ -381,7 +381,7 @@ MODULE moduleSolver part_temp = part !Get electric field at particle position - qmEFt = part_temp%qm*gatherElecField(part_temp)*tauMin + qmEFt = part_temp%species%qm*gatherElecField(part_temp)*tauMin !r,theta v_p_oh_star(1) = part%v(1) + qmEFt(1) x_new = part%r(1) + v_p_oh_star(1)*tauIn @@ -586,7 +586,7 @@ MODULE moduleSolver !Loops over the particles to scatter them !$OMP DO - DO n=1, nPartOld + DO n = 1, nPartOld CALL mesh%vols(partOld(n)%vol)%obj%scatter(partOld(n)) END DO diff --git a/src/modules/moduleSpecies.f90 b/src/modules/moduleSpecies.f90 index fd8494f..d19ff28 100644 --- a/src/modules/moduleSpecies.f90 +++ b/src/modules/moduleSpecies.f90 @@ -6,7 +6,7 @@ MODULE moduleSpecies TYPE, ABSTRACT:: speciesGeneric CHARACTER(:), ALLOCATABLE:: name - REAL(8):: m=0.D0, weight=0.D0 + REAL(8):: m=0.D0, weight=0.D0, qm=0.D0 INTEGER:: n=0 END TYPE speciesGeneric @@ -18,7 +18,7 @@ MODULE moduleSpecies END TYPE speciesNeutral TYPE, EXTENDS(speciesGeneric):: speciesCharged - REAL(8):: q=0.D0, qm=0.D0 + REAL(8):: q=0.D0 CLASS(speciesGeneric), POINTER:: ion => NULL(), neutral => NULL() CONTAINS PROCEDURE, PASS:: ionize => ionizeCharged @@ -43,7 +43,6 @@ MODULE moduleSpecies REAL(8):: xi(1:3) !Logical coordinates of particle in element e_p. LOGICAL:: n_in !Flag that indicates if a particle is in the domain REAL(8):: weight=0.D0 !weight of particle - REAL(8):: qm = 0.D0 !charge over mass END TYPE particle From 50705292a78c168231becd6e1608802f2313a95d Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Thu, 8 Dec 2022 16:37:44 +0100 Subject: [PATCH 08/15] Changes in Cross Sections Changes in cross-sections for Ar, particularly e-Ar process. --- data/collisions/EL_e-Ar.dat | 207 ++++++++++++++++++++++++- data/collisions/IO_e-Ar.dat | 235 +++++++++++++++++++++++++---- runs/1D_Cathode/curve_potential.gp | 22 --- 3 files changed, 406 insertions(+), 58 deletions(-) delete mode 100644 runs/1D_Cathode/curve_potential.gp diff --git a/data/collisions/EL_e-Ar.dat b/data/collisions/EL_e-Ar.dat index 097729e..b3d98a1 100644 --- a/data/collisions/EL_e-Ar.dat +++ b/data/collisions/EL_e-Ar.dat @@ -1,3 +1,204 @@ -# Relative energy (eV) cross section (m^2) -0.0 1e-20 -1000.0 1e-20 +# EL cross sections extracted from PROGRAM MAGBOLTZ, VERSION 7.1 JUNE 2004 www.lxcat.net/Biagi-v7.1 +# Relative energy (eV) cross section (m^2) + 0.000000e+0 7.100000e-20 + 1.000000e-3 6.298400e-20 + 2.000000e-3 5.835000e-20 + 5.000000e-3 4.977500e-20 + 1.000000e-2 4.113000e-20 + 2.000000e-2 3.071300e-20 + 5.000000e-2 1.570900e-20 + 1.000000e-1 6.062200e-21 + 1.092000e-1 5.117000e-21 + 1.482000e-1 2.519100e-21 + 1.885000e-1 1.330700e-21 + 2.303000e-1 9.762900e-22 + 2.735000e-1 1.139000e-21 + 3.183000e-1 1.628900e-21 + 3.646000e-1 2.326700e-21 + 4.125000e-1 3.155200e-21 + 4.622000e-1 4.064500e-21 + 5.136000e-1 5.023100e-21 + 5.668000e-1 6.012300e-21 + 6.218000e-1 7.023300e-21 + 6.788000e-1 8.054600e-21 + 7.378000e-1 9.110500e-21 + 7.989000e-1 1.020000e-20 + 8.621000e-1 1.133700e-20 + 9.275000e-1 1.253700e-20 + 9.953000e-1 1.382100e-20 + 1.065400e+0 1.479100e-20 + 1.138000e+0 1.576700e-20 + 1.213100e+0 1.677000e-20 + 1.290900e+0 1.778100e-20 + 1.371400e+0 1.882800e-20 + 1.454700e+0 1.991100e-20 + 1.541000e+0 2.107400e-20 + 1.630300e+0 2.232400e-20 + 1.722700e+0 2.358000e-20 + 1.818400e+0 2.476000e-20 + 1.917400e+0 2.598200e-20 + 2.020000e+0 2.729100e-20 + 2.126100e+0 2.884100e-20 + 2.235900e+0 3.044500e-20 + 2.349700e+0 3.210500e-20 + 2.467400e+0 3.382400e-20 + 2.589200e+0 3.558500e-20 + 2.715400e+0 3.740100e-20 + 2.845900e+0 3.928100e-20 + 2.981100e+0 4.122700e-20 + 3.121000e+0 4.331500e-20 + 3.265800e+0 4.548700e-20 + 3.415700e+0 4.773600e-20 + 3.570900e+0 5.006300e-20 + 3.731500e+0 5.247300e-20 + 3.897800e+0 5.496700e-20 + 4.069900e+0 5.775100e-20 + 4.248100e+0 6.093800e-20 + 4.432500e+0 6.423700e-20 + 4.623400e+0 6.765200e-20 + 4.821000e+0 7.118700e-20 + 5.025600e+0 7.507600e-20 + 5.237300e+0 7.901500e-20 + 5.456500e+0 8.309200e-20 + 5.683400e+0 8.731200e-20 + 5.918300e+0 9.168100e-20 + 6.161400e+0 9.628400e-20 + 6.413100e+0 1.010900e-19 + 6.673600e+0 1.060800e-19 + 6.943300e+0 1.118000e-19 + 7.222400e+0 1.170000e-19 + 7.511400e+0 1.222000e-19 + 7.810500e+0 1.275900e-19 + 8.120100e+0 1.326900e-19 + 8.440600e+0 1.372100e-19 + 8.772400e+0 1.416500e-19 + 9.115800e+0 1.451600e-19 + 9.471300e+0 1.487100e-19 + 9.839300e+0 1.523900e-19 + 1.022020e+1 1.548800e-19 + 1.061450e+1 1.564600e-19 + 1.100000e+1 1.580000e-19 + 1.160000e+1 1.580000e-19 + 1.220000e+1 1.571000e-19 + 1.280380e+1 1.547800e-19 + 1.328890e+1 1.525600e-19 + 1.379110e+1 1.495700e-19 + 1.431090e+1 1.458200e-19 + 1.484890e+1 1.420600e-19 + 1.540590e+1 1.373500e-19 + 1.598240e+1 1.321600e-19 + 1.657920e+1 1.291500e-19 + 1.719700e+1 1.225700e-19 + 1.783650e+1 1.157400e-19 + 1.849840e+1 1.110100e-19 + 1.918370e+1 1.069000e-19 + 1.989300e+1 1.026400e-19 + 2.062720e+1 9.899000e-20 + 2.138720e+1 9.534100e-20 + 2.217390e+1 9.156500e-20 + 2.298830e+1 8.765600e-20 + 2.383130e+1 8.361000e-20 + 2.470400e+1 7.942100e-20 + 2.560730e+1 7.611800e-20 + 2.654230e+1 7.321900e-20 + 2.751020e+1 7.021800e-20 + 2.851210e+1 6.711300e-20 + 2.954920e+1 6.389700e-20 + 3.062280e+1 6.137900e-20 + 3.173410e+1 5.937900e-20 + 3.288440e+1 5.730800e-20 + 3.407520e+1 5.516500e-20 + 3.530780e+1 5.294600e-20 + 3.658370e+1 5.064900e-20 + 3.790450e+1 4.827200e-20 + 3.927170e+1 4.581100e-20 + 4.068690e+1 4.384700e-20 + 4.215190e+1 4.245600e-20 + 4.366840e+1 4.101500e-20 + 4.523810e+1 3.952400e-20 + 4.686300e+1 3.798000e-20 + 4.854500e+1 3.638200e-20 + 5.028610e+1 3.480000e-20 + 5.208840e+1 3.353800e-20 + 5.395410e+1 3.223200e-20 + 5.588530e+1 3.088000e-20 + 5.788440e+1 2.948100e-20 + 5.995370e+1 2.803200e-20 + 6.209570e+1 2.674300e-20 + 6.431310e+1 2.541200e-20 + 6.660830e+1 2.403500e-20 + 6.898420e+1 2.260900e-20 + 7.144360e+1 2.171100e-20 + 7.398940e+1 2.120200e-20 + 7.662470e+1 2.067500e-20 + 7.935260e+1 2.012900e-20 + 8.217640e+1 1.940100e-20 + 8.509940e+1 1.859800e-20 + 8.812510e+1 1.776600e-20 + 9.125710e+1 1.690400e-20 + 9.449930e+1 1.601300e-20 + 9.785530e+1 1.509000e-20 + 1.013293e+2 1.435400e-20 + 1.049254e+2 1.395800e-20 + 1.086478e+2 1.354900e-20 + 1.125011e+2 1.312500e-20 + 1.164898e+2 1.268600e-20 + 1.206186e+2 1.223200e-20 + 1.248925e+2 1.176200e-20 + 1.293167e+2 1.127500e-20 + 1.338963e+2 1.077100e-20 + 1.386368e+2 1.025000e-20 + 1.435440e+2 9.710200e-21 + 1.486236e+2 9.151400e-21 + 1.538817e+2 8.790400e-21 + 1.593245e+2 8.496500e-21 + 1.649587e+2 8.192200e-21 + 1.707908e+2 7.877300e-21 + 1.768279e+2 7.551300e-21 + 1.830772e+2 7.213800e-21 + 1.895461e+2 6.864500e-21 + 1.962423e+2 6.502900e-21 + 2.031738e+2 6.244500e-21 + 2.103489e+2 6.118900e-21 + 2.177762e+2 5.988900e-21 + 2.254644e+2 5.854400e-21 + 2.334229e+2 5.715100e-21 + 2.416610e+2 5.570900e-21 + 2.501886e+2 5.421700e-21 + 2.590160e+2 5.267200e-21 + 2.681535e+2 5.107300e-21 + 2.776121e+2 4.941800e-21 + 2.874032e+2 4.770400e-21 + 2.975383e+2 4.593100e-21 + 3.080295e+2 4.409500e-21 + 3.188895e+2 4.219400e-21 + 3.301311e+2 4.022700e-21 + 3.417678e+2 3.819100e-21 + 3.538134e+2 3.608300e-21 + 3.662823e+2 3.390100e-21 + 3.791894e+2 3.164200e-21 + 3.925501e+2 2.930400e-21 + 4.063803e+2 2.789400e-21 + 4.355158e+2 2.740800e-21 + 4.667351e+2 2.688800e-21 + 4.831724e+2 2.661400e-21 + 5.001872e+2 2.633000e-21 + 5.178000e+2 2.603700e-21 + 5.360318e+2 2.573300e-21 + 5.549043e+2 2.541800e-21 + 5.744399e+2 2.509300e-21 + 5.946621e+2 2.475600e-21 + 6.155950e+2 2.440700e-21 + 6.372635e+2 2.404600e-21 + 6.596934e+2 2.367200e-21 + 6.829116e+2 2.328500e-21 + 7.069458e+2 2.288400e-21 + 7.318245e+2 2.247000e-21 + 7.575776e+2 2.204000e-21 + 7.842356e+2 2.159600e-21 + 8.118305e+2 2.113600e-21 + 8.403951e+2 2.066000e-21 + 8.699636e+2 2.016700e-21 + 9.005711e+2 1.965700e-21 + 9.322543e+2 1.912900e-21 + 9.650509e+2 1.858200e-21 diff --git a/data/collisions/IO_e-Ar.dat b/data/collisions/IO_e-Ar.dat index 4d2e032..ce3955f 100644 --- a/data/collisions/IO_e-Ar.dat +++ b/data/collisions/IO_e-Ar.dat @@ -1,34 +1,203 @@ -# H. C. Straub et. al, Physical Review A, 55,2(1995) +# EL cross sections extracted from PROGRAM MAGBOLTZ, VERSION 7.1 JUNE 2004 www.lxcat.net/Biagi-v7.1 # Relative energy (eV) cross section (m^2) -17 1.700E-22 -20 4.600E-21 -25 1.240E-20 -30 1.840E-20 -35 2.260E-20 -40 2.550E-20 -45 2.660E-20 -50 2.700E-20 -55 2.690E-20 -60 2.670E-20 -65 2.670E-20 -70 2.670E-20 -75 2.660E-20 -80 2.690E-20 -85 2.700E-20 -90 2.690E-20 -95 2.670E-20 -100 2.640E-20 -110 2.610E-20 -120 2.550E-20 -140 2.450E-20 -160 2.350E-20 -180 2.270E-20 -200 2.180E-20 -225 2.100E-20 -250 1.990E-20 -275 1.870E-20 -300 1.790E-20 -350 1.630E-20 -400 1.510E-20 -450 1.390E-20 -500 1.310E-20 + 1.570000e+1 0.000000e+0 + 1.571000e+1 1.033000e-25 + 1.574000e+1 3.631000e-23 + 1.577000e+1 7.390000e-23 + 1.581000e+1 1.128000e-22 + 1.585000e+1 1.531000e-22 + 1.589000e+1 1.948000e-22 + 1.593000e+1 2.379000e-22 + 1.597000e+1 2.826000e-22 + 1.602000e+1 3.330000e-22 + 1.606000e+1 3.914000e-22 + 1.611000e+1 4.518000e-22 + 1.616000e+1 5.143000e-22 + 1.621000e+1 5.791000e-22 + 1.627000e+1 6.461000e-22 + 1.632000e+1 7.155000e-22 + 1.638000e+1 7.873000e-22 + 1.644000e+1 8.616000e-22 + 1.650000e+1 9.386000e-22 + 1.656000e+1 1.026000e-21 + 1.663000e+1 1.116000e-21 + 1.670000e+1 1.209000e-21 + 1.677000e+1 1.306000e-21 + 1.684000e+1 1.406000e-21 + 1.691000e+1 1.510000e-21 + 1.699000e+1 1.617000e-21 + 1.707000e+1 1.733000e-21 + 1.715000e+1 1.853000e-21 + 1.724000e+1 1.977000e-21 + 1.733000e+1 2.106000e-21 + 1.742000e+1 2.239000e-21 + 1.752000e+1 2.378000e-21 + 1.762000e+1 2.526000e-21 + 1.772000e+1 2.680000e-21 + 1.783000e+1 2.839000e-21 + 1.794000e+1 3.004000e-21 + 1.805000e+1 3.175000e-21 + 1.817000e+1 3.354000e-21 + 1.829000e+1 3.540000e-21 + 1.842000e+1 3.731000e-21 + 1.855000e+1 3.933000e-21 + 1.868000e+1 4.146000e-21 + 1.882000e+1 4.367000e-21 + 1.897000e+1 4.596000e-21 + 1.912000e+1 4.837000e-21 + 1.927000e+1 5.089000e-21 + 1.943000e+1 5.349000e-21 + 1.960000e+1 5.618000e-21 + 1.977000e+1 5.897000e-21 + 1.995000e+1 6.186000e-21 + 2.013000e+1 6.498000e-21 + 2.032000e+1 6.826000e-21 + 2.052000e+1 7.161000e-21 + 2.073000e+1 7.464000e-21 + 2.094000e+1 7.777000e-21 + 2.116000e+1 8.092000e-21 + 2.138000e+1 8.414000e-21 + 2.162000e+1 8.757000e-21 + 2.186000e+1 9.122000e-21 + 2.211000e+1 9.468000e-21 + 2.237000e+1 9.786000e-21 + 2.264000e+1 1.013000e-20 + 2.292000e+1 1.050000e-20 + 2.321000e+1 1.085000e-20 + 2.351000e+1 1.121000e-20 + 2.382000e+1 1.158000e-20 + 2.414000e+1 1.197000e-20 + 2.447000e+1 1.237000e-20 + 2.482000e+1 1.278000e-20 + 2.517000e+1 1.317000e-20 + 2.554000e+1 1.355000e-20 + 2.592000e+1 1.400000e-20 + 2.631000e+1 1.440000e-20 + 2.672000e+1 1.479000e-20 + 2.715000e+1 1.519000e-20 + 2.758000e+1 1.560000e-20 + 2.804000e+1 1.604000e-20 + 2.850000e+1 1.650000e-20 + 2.899000e+1 1.699000e-20 + 2.949000e+1 1.749000e-20 + 3.001000e+1 1.801000e-20 + 3.055000e+1 1.844000e-20 + 3.111000e+1 1.888000e-20 + 3.168000e+1 1.935000e-20 + 3.228000e+1 1.981000e-20 + 3.290000e+1 2.027000e-20 + 3.354000e+1 2.075000e-20 + 3.420000e+1 2.123000e-20 + 3.488000e+1 2.167000e-20 + 3.559000e+1 2.214000e-20 + 3.633000e+1 2.255000e-20 + 3.709000e+1 2.289000e-20 + 3.787000e+1 2.324000e-20 + 3.869000e+1 2.351000e-20 + 3.953000e+1 2.376000e-20 + 4.040000e+1 2.398000e-20 + 4.131000e+1 2.416000e-20 + 4.224000e+1 2.435000e-20 + 4.321000e+1 2.454000e-20 + 4.421000e+1 2.474000e-20 + 4.525000e+1 2.492000e-20 + 4.632000e+1 2.501000e-20 + 4.743000e+1 2.509000e-20 + 4.858000e+1 2.519000e-20 + 4.978000e+1 2.528000e-20 + 5.101000e+1 2.544000e-20 + 5.228000e+1 2.562000e-20 + 5.360000e+1 2.580000e-20 + 5.497000e+1 2.600000e-20 + 5.639000e+1 2.617000e-20 + 5.785000e+1 2.634000e-20 + 5.937000e+1 2.652000e-20 + 6.094000e+1 2.673000e-20 + 6.256000e+1 2.696000e-20 + 6.425000e+1 2.719000e-20 + 6.599000e+1 2.738000e-20 + 6.779000e+1 2.752000e-20 + 6.965000e+1 2.767000e-20 + 7.159000e+1 2.786000e-20 + 7.358000e+1 2.806000e-20 + 7.565000e+1 2.823000e-20 + 7.780000e+1 2.831000e-20 + 8.001000e+1 2.840000e-20 + 8.231000e+1 2.845000e-20 + 8.468000e+1 2.849000e-20 + 8.714000e+1 2.854000e-20 + 8.969000e+1 2.859000e-20 + 9.232000e+1 2.860000e-20 + 9.505000e+1 2.860000e-20 + 9.788000e+1 2.854000e-20 + 1.008000e+2 2.848000e-20 + 1.038000e+2 2.842000e-20 + 1.070000e+2 2.836000e-20 + 1.102000e+2 2.830000e-20 + 1.136000e+2 2.823000e-20 + 1.170000e+2 2.816000e-20 + 1.206000e+2 2.807000e-20 + 1.243000e+2 2.788000e-20 + 1.282000e+2 2.769000e-20 + 1.322000e+2 2.753000e-20 + 1.363000e+2 2.741000e-20 + 1.406000e+2 2.727000e-20 + 1.450000e+2 2.705000e-20 + 1.496000e+2 2.682000e-20 + 1.543000e+2 2.654000e-20 + 1.592000e+2 2.625000e-20 + 1.643000e+2 2.598000e-20 + 1.696000e+2 2.572000e-20 + 1.750000e+2 2.545000e-20 + 1.807000e+2 2.516000e-20 + 1.865000e+2 2.478000e-20 + 1.925000e+2 2.439000e-20 + 1.988000e+2 2.398000e-20 + 2.052000e+2 2.367000e-20 + 2.119000e+2 2.337000e-20 + 2.189000e+2 2.307000e-20 + 2.260000e+2 2.275000e-20 + 2.335000e+2 2.243000e-20 + 2.412000e+2 2.209000e-20 + 2.491000e+2 2.174000e-20 + 2.574000e+2 2.142000e-20 + 2.659000e+2 2.110000e-20 + 2.747000e+2 2.076000e-20 + 2.839000e+2 2.041000e-20 + 2.933000e+2 2.005000e-20 + 3.031000e+2 1.969000e-20 + 3.132000e+2 1.935000e-20 + 3.237000e+2 1.899000e-20 + 3.346000e+2 1.862000e-20 + 3.458000e+2 1.824000e-20 + 3.575000e+2 1.791000e-20 + 3.695000e+2 1.759000e-20 + 3.820000e+2 1.727000e-20 + 3.949000e+2 1.693000e-20 + 4.083000e+2 1.659000e-20 + 4.221000e+2 1.623000e-20 + 4.364000e+2 1.585000e-20 + 4.512000e+2 1.548000e-20 + 4.666000e+2 1.520000e-20 + 4.824000e+2 1.492000e-20 + 4.989000e+2 1.462000e-20 + 5.159000e+2 1.435000e-20 + 5.335000e+2 1.406000e-20 + 5.517000e+2 1.377000e-20 + 5.706000e+2 1.347000e-20 + 5.901000e+2 1.316000e-20 + 6.104000e+2 1.285000e-20 + 6.313000e+2 1.256000e-20 + 6.530000e+2 1.226000e-20 + 6.754000e+2 1.194000e-20 + 6.986000e+2 1.162000e-20 + 7.226000e+2 1.137000e-20 + 7.475000e+2 1.112000e-20 + 7.733000e+2 1.087000e-20 + 7.999000e+2 1.060000e-20 + 8.275000e+2 1.039000e-20 + 8.561000e+2 1.018000e-20 + 8.857000e+2 9.958000e-21 + 9.163000e+2 9.736000e-21 + 9.480000e+2 9.514000e-21 + 9.808000e+2 9.285000e-21 diff --git a/runs/1D_Cathode/curve_potential.gp b/runs/1D_Cathode/curve_potential.gp deleted file mode 100644 index 9db840c..0000000 --- a/runs/1D_Cathode/curve_potential.gp +++ /dev/null @@ -1,22 +0,0 @@ -#Export the potential curves from Gmsh into a txt file. -reset -set terminal qt persist enhanced 1 size 600, 400 - -set style line 1 pt 1 lc rgb "red" -set style line 2 pt 2 lc rgb "blue" -set style line 3 pt 4 lc rgb "#006400" -set style line 4 pt 6 lc rgb "orange" -set style line 5 pt 8 lc rgb "black" -set style line 6 pt 10 lc rgb "#ADD8E6" - -set xlabel "x/r (mm)" - -set autoscale y -set ylabel "Potential (V)" - -set key box at 90,-10 - -set title "Effect of geometry" - -plot "Cartesian.dat" u ($5*1e3):($8) every 100 ls 1 t "Cartesian", \ - "Radial.dat" u ($5*1e3):($8) every 100 ls 2 t "Radial" From ae8aa9075eefa7ebc01b9cbeb116b257fc2805c3 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 9 Dec 2022 09:54:44 +0100 Subject: [PATCH 09/15] Change in calculation of reduced mass and relative energy Now reduced mass and relative energy are calculated on the fly per collision. --- src/modules/mesh/moduleMesh.f90 | 6 ++++-- src/modules/moduleCollisions.f90 | 8 ++------ 2 files changed, 6 insertions(+), 8 deletions(-) diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 142b78d..ebbbed4 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -660,6 +660,7 @@ MODULE moduleMesh use moduleRefParam USE moduleRandom USE moduleOutput + USE moduleMath IMPLICIT NONE CLASS(meshGeneric), INTENT(inout), TARGET:: self @@ -673,7 +674,7 @@ MODULE moduleMesh TYPE(pointerArray), ALLOCATABLE:: partTemp_i(:), partTemp_j(:) TYPE(particle), POINTER:: part_i, part_j INTEGER:: n, c - REAL(8):: vRel, eRel + REAL(8):: vRel, rMass, eRel REAL(8):: sigmaVrelTotal REAL(8), ALLOCATABLE:: sigmaVrel(:), probabilityColl(:) REAL(8):: rnd !Random number for collision @@ -749,7 +750,8 @@ MODULE moduleMesh !Obtain the cross sections for the different processes !TODO: From here it might be a procedure in interactionMatrix vRel = NORM2(part_i%v-part_j%v) - eRel = interactionMatrix(k)%rMass*vRel**2 + rMass = reducedMass(part_i%weight*part_i%species%m, part_j%weight*part_j%species%m) + eRel = rMass*vRel**2 CALL interactionMatrix(k)%getSigmaVrel(vRel, eRel, sigmaVrelTotal, sigmaVrel) !Update maximum sigma*v_rel diff --git a/src/modules/moduleCollisions.f90 b/src/modules/moduleCollisions.f90 index 47cace6..3c241c1 100644 --- a/src/modules/moduleCollisions.f90 +++ b/src/modules/moduleCollisions.f90 @@ -70,7 +70,6 @@ MODULE moduleCollisions CLASS(speciesGeneric), POINTER:: sp_i CLASS(speciesGeneric), POINTER:: sp_j INTEGER:: amount - REAL(8):: rMass !Reduced mass TYPE(collisionCont), ALLOCATABLE:: collisions(:) CONTAINS PROCEDURE, PASS:: init => initInteractionBinary @@ -133,7 +132,6 @@ MODULE moduleCollisions ALLOCATE(interactionMatrix(1:nCollPairs)) interactionMatrix(:)%amount = 0 - interactionMatrix(:)%rMass = 0.D0 END SUBROUTINE initInteractionMatrix @@ -169,8 +167,6 @@ MODULE moduleCollisions mass_i = species(i)%obj%m mass_j = species(j)%obj%m - self%rMass = reducedMass(mass_i, mass_j) - ALLOCATE(self%collisions(1:self%amount)) END SUBROUTINE initInteractionBinary @@ -234,7 +230,7 @@ MODULE moduleCollisions m_i = part_i%species%m m_j = part_j%species%m !Applies the collision - vCM = velocityCM(m_i, part_i%v, m_j, part_j%v) + vCM = velocityCM(part_i%weight*m_i, part_i%v, part_j%weight*m_j, part_j%v) vp = vRel*randomDirectionVHS() !Assign velocities to particles @@ -311,7 +307,7 @@ MODULE moduleCollisions REAL(8), DIMENSION(1:3):: vChange TYPE(particle), POINTER:: newElectron - rMass = reducedMass(part_i%species%m, part_j%species%m) + rMass = reducedMass(part_i%weight*part_i%species%m, part_j%weight*part_j%species%m) eRel = rMass*vRel**2 !Relative energy must be higher than threshold IF (eRel > self%eThreshold) THEN From 8dd3023bc06a498f146b7cf37c20506134f913db Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 9 Dec 2022 16:05:32 +0100 Subject: [PATCH 10/15] Documentation change and testing examples Documentation adapted to the new way to define geometry and pushers. Examples are currently being tested and small modifications are being done to include a reference output. --- doc/user-manual/fpakc_UserManual.pdf | Bin 173252 -> 175069 bytes doc/user-manual/fpakc_UserManual.tex | 70 +- runs/0D_Argon/README.txt | 11 + runs/0D_Argon/input.json | 4 +- runs/0D_Argon/output/OUTPUT_Argon+.dat | 1002 +++++++++++++++++ runs/0D_Argon/output/OUTPUT_Argon.dat | 1002 +++++++++++++++++ runs/0D_Argon/output/OUTPUT_Collisions.dat | 1002 +++++++++++++++++ ...rve_Temperature.gp => plot_Temperature.gp} | 7 +- runs/1D_Cathode/README.txt | 8 + runs/1D_Cathode/inputCart.json | 17 +- runs/1D_Cathode/inputRadEmission.json | 15 +- src/modules/moduleInput.f90 | 1 - 12 files changed, 3075 insertions(+), 64 deletions(-) create mode 100644 runs/0D_Argon/README.txt create mode 100644 runs/0D_Argon/output/OUTPUT_Argon+.dat create mode 100644 runs/0D_Argon/output/OUTPUT_Argon.dat create mode 100644 runs/0D_Argon/output/OUTPUT_Collisions.dat rename 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The accepted parameters are: \begin{itemize} - \item \textbf{type}: Character. + \item \textbf{dimension}: Integer. + Number of spatial dimensions of the geometry. + Current values are: $0$, $1$, $2$ or $3$. + Zero dimension is a fictitious volume. + Geometry used mostly to test collisional effects. + No boundary or EM field is solved. + No injection can be implemented. + Initial state must be read from file. + No mesh file is required. + The optional argument \textbf{geometry.volume} can be used to set a value for the fictitious volume. + Otherwise, the volume is set to 1 in non-dimensional units. + \item \textbf{type}: Character. Type of geometry. Current accepted vaules are \begin{itemize} - \item \textbf{3DCart}: Three-dimensional grid ($x \hyphen y \hyphen z$) in Cartesian coordinates.. - For \Gls{gmsh} mesh format, the coordinates $x$, $y$ and $z$ correspond to $x$, $y$ and $z$ respectively. - \item \textbf{2DCyl}: Two-dimensional grid ($z \hyphen r$) with symmetry axis at $r = 0$. - For \Gls{gmsh} mesh format, the coordinates $x$ and $y$ correspond to $z$ and $r$ respectively. - \item \textbf{2DCart}: Two-dimensional grid ($x \hyphen y$) in Cartesian coordinates.. - For \Gls{gmsh} mesh format, the coordinates $x$ and $y$ correspond to $x$ and $y$ respectively. - \item \textbf{1DRad}: One-dimensional grid ($r$) in radial coordinates - For \Gls{gmsh} mesh format, the coordinates $x$ corresponds to $r$. - \item \textbf{1DCart}: One-dimensional grid ($x$) in Cartesian coordinates - For \Gls{gmsh} mesh format, the coordinates $x$ corresponds to $x$. - \item \textbf{0D}: Zero dimension ficticius volume. - Geometry used mostly to test collisional effects. - No boundary or EM field is solved. - No injection can be implemented. - Initial state must be read from file. - No mesh file is required. - The optional argument \textbf{geometry.volume} can be used to set a ficticius volume. - Otherwise, the volume is set to 1 in non-dimensional units. + \item \textbf{Cart}: Cartesian coordinates. + Available for \textbf{geometry.dimension} $1$, $2$ and $3$. + For \Gls{gmsh} mesh format, the coordinates $x$, $y$ and $z$ correspond to $x$, $y$ and $z$ respectively. + \item \textbf{Cyl}: Cylindrical coordinates ($z \hyphen r$) with symmetry axis at $r = 0$. + Only available for \textbf{geometry.dimension} $2$. + For \Gls{gmsh} mesh format, the coordinates $x$ and $y$ correspond to $z$ and $r$ respectively. + \item \textbf{Rad}: One-dimensional radial space ($r$). + Only available for \textbf{geometry.dimension} $1$. + For \Gls{gmsh} mesh format, the coordinates $x$ corresponds to $r$. \end{itemize} \item \textbf{meshType}: Character. Format of mesh file. @@ -437,9 +439,9 @@ make \item \textbf{meshFile}: Character. Mesh filename. This file is searched in the path \textbf{output.path} and must contain the file extension. - \item \textbf{volume}: Real + \item \textbf{volume}: Real. Units of $\unit{m^-3}$. - Used to set a ficticius volume for the \textbf{0D} geometry. + Used to set a fictitious volume for the $0$ dimension. Ignored in the other cases. \end{itemize} @@ -624,11 +626,12 @@ make \end{itemize} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% - \subsection{case} - This object determines the simulation time, time step, pushers, weighting scheme and solver for the electromagnetic field. + \subsection{solver} + This object determines the input parameters for the solvers used in the case, both for particle pushers and electromagnetic field. Accepted variables are: \begin{itemize} \item \textbf{tau}: Real. + Units of $\unit{s}$. Array dimension 'number of species'. Defines the different time steps for each species. Even if all time steps are equal, they need to be defined as an array. @@ -643,18 +646,9 @@ make Array dimension 'number of species'. Indicates the type of pusher used for each species: \begin{itemize} - \item \textbf{3DCartNeutral}: Pushes particles in a 3D Cartesian space ($x \hyphen y \hyphen z$) without any external force. - \item \textbf{3DCartCharged}: Pushes particles in a 3D Cartesian space ($x \hyphen y \hyphen z$) including the effect of the electrostatic field. - \item \textbf{2DCylNeutral}: Pushes particles in a 2D cylindrical space ($z \hyphen r$) without any external force. - \item \textbf{2DCylCharged}: Pushes particles in a 2D cylindrical space ($z \hyphen r$) including the effect of the electrostatic field. - \item \textbf{2DCartNeutral}: Pushes particles in a 2D Cartesian space ($x \hyphen y$) without any external force. - \item \textbf{2DCartCharged}: Pushes particles in a 2D Cartesian space ($x \hyphen y$) including the effect of the electrostatic field. - \item \textbf{1DRadNeutral}: Pushes particles in a 1D cylindrical space ($r$) without any external force. - \item \textbf{1DRadCharged}: Pushes particles in a 1D cylindrical space ($r$) accounting the the electrostatic field. - \item \textbf{1DCartNeutral}: Pushes particles in a 1D Cartesian space ($x$) without any external force. - \item \textbf{1DCartCharged}: Pushes particles in a 1D Cartesian space ($x$) accounting the the electrostatic field. - \item \textbf{0D}: Dummy pusher for 0D geometry. - No pushing is actually done. + \item \textbf{Neutral}: Pushes a particle without any external force. + \item \textbf{Electrostatic}: Pushes a particle including the effect of the electrostatic field. + \item \textbf{Electromagnetic}: Pushes particles accounting for the electromagnetic field. \end{itemize} \item \textbf{WeightingScheme}: Character. Indicates the variable weighting scheme to be used in the simulation. @@ -669,7 +663,13 @@ make If no value is supplied, no field is solved. \begin{itemize} \item \textbf{Electrostatic}: Solves the Poison equation to obtain the self-consistent electrostatic potential. + \item \textbf{ConstantB}: Assumes a constant magnetic field in all the domain. + It solves the Poisson equation as in the \textbf{solver.EMSolver} option. \end{itemize} + \item \textbf{B}: Real. + Units of $\unit{T}$. + Array of dimension $3$. + Provides the value of constant magnetic field for the option \textbf{solver.EMSolver} \textbf{ConstantB}. \item \textbf{initial}: Array of objects. Determines initial values for the species. Required values are: diff --git a/runs/0D_Argon/README.txt b/runs/0D_Argon/README.txt new file mode 100644 index 0000000..f44ff5d --- /dev/null +++ b/runs/0D_Argon/README.txt @@ -0,0 +1,11 @@ +Example of 0D geometry. + +Mostly used to test collision processes. + +This example includes Ar and Ar+ with self-collisions for Ar and elastic collisions for AR-Ar+. + +Different starting temperatures for each species that end up in equilibrium. + +The gnuplpot script 'plot_Temperature.gp' generates a plot of the species temperatures. + +The result is provided in the output folder to compare if modifications to the code are made. diff --git a/runs/0D_Argon/input.json b/runs/0D_Argon/input.json index 6af25d0..5defe89 100644 --- a/runs/0D_Argon/input.json +++ b/runs/0D_Argon/input.json @@ -21,8 +21,8 @@ {"name": "Argon", "type": "neutral", "mass": 6.633e-26, "weight": 1.0e0} ], "solver": { - "tau": [1.0e-6, 1.0e-6], - "finalTime": 1.0e-3, + "tau": [1.0e-3, 1.0e-3], + "finalTime": 1.0e0, "initial": [ {"species": "Argon+", "file": "Argon+_Initial.dat"}, {"species": "Argon", "file": "Argon_Initial.dat"} diff --git a/runs/0D_Argon/output/OUTPUT_Argon+.dat b/runs/0D_Argon/output/OUTPUT_Argon+.dat new file mode 100644 index 0000000..d2ae64e --- /dev/null +++ b/runs/0D_Argon/output/OUTPUT_Argon+.dat @@ -0,0 +1,1002 @@ +# t (s) density (m^-3) velocity (m/s) pressure (Pa) temperature (K) + 0.000000E+000 1.000000E+016 5.266957E+000 1.909452E+000 1.384590E+000 4.135248E-004 2.995149E+003 + 1.000000E-003 1.000000E+016 4.975835E+000 1.800698E+000 1.604451E+000 4.105059E-004 2.973283E+003 + 2.000000E-003 1.000000E+016 4.341542E+000 1.924445E+000 2.184675E+000 4.003290E-004 2.899572E+003 + 3.000000E-003 1.000000E+016 3.970890E+000 1.993677E+000 1.382798E+000 3.897737E-004 2.823121E+003 + 4.000000E-003 1.000000E+016 3.762433E+000 2.833449E+000 1.546067E+000 3.804124E-004 2.755317E+003 + 5.000000E-003 1.000000E+016 2.930359E+000 3.054097E+000 1.205293E+000 3.708058E-004 2.685737E+003 + 6.000000E-003 1.000000E+016 2.393934E+000 2.814945E+000 1.629780E+000 3.622957E-004 2.624098E+003 + 7.000000E-003 1.000000E+016 2.822432E+000 2.456657E+000 2.214131E+000 3.542909E-004 2.566119E+003 + 8.000000E-003 1.000000E+016 2.115643E+000 2.257382E+000 2.015071E+000 3.466849E-004 2.511029E+003 + 9.000000E-003 1.000000E+016 2.027031E+000 2.037227E+000 8.288768E-001 3.395016E-004 2.459001E+003 + 1.000000E-002 1.000000E+016 1.575586E+000 2.532915E+000 5.752966E-001 3.328813E-004 2.411050E+003 + 1.100000E-002 1.000000E+016 1.555788E+000 2.640150E+000 5.876390E-001 3.267937E-004 2.366958E+003 + 1.200000E-002 1.000000E+016 1.222583E+000 2.661460E+000 3.327464E-001 3.210867E-004 2.325622E+003 + 1.300000E-002 1.000000E+016 1.775667E+000 2.816494E+000 -9.500641E-002 3.157455E-004 2.286936E+003 + 1.400000E-002 1.000000E+016 1.579764E+000 2.035823E+000 -2.580409E-001 3.106205E-004 2.249816E+003 + 1.500000E-002 1.000000E+016 1.065856E+000 2.113673E+000 -6.643543E-002 3.056658E-004 2.213929E+003 + 1.600000E-002 1.000000E+016 1.064635E+000 2.550815E+000 8.099883E-001 3.009810E-004 2.179997E+003 + 1.700000E-002 1.000000E+016 1.747380E+000 2.382810E+000 1.248267E+000 2.970422E-004 2.151468E+003 + 1.800000E-002 1.000000E+016 1.210405E+000 2.296428E+000 1.766787E+000 2.928880E-004 2.121380E+003 + 1.900000E-002 1.000000E+016 7.886984E-001 2.748794E+000 1.701718E+000 2.889478E-004 2.092841E+003 + 2.000000E-002 1.000000E+016 1.234212E+000 2.736398E+000 1.026164E+000 2.855333E-004 2.068110E+003 + 2.100000E-002 1.000000E+016 4.876977E-001 2.307383E+000 1.485919E+000 2.821512E-004 2.043614E+003 + 2.200000E-002 1.000000E+016 6.315432E-001 3.259035E+000 2.550234E+000 2.790234E-004 2.020959E+003 + 2.300000E-002 1.000000E+016 7.955458E-001 3.150075E+000 2.609453E+000 2.756880E-004 1.996801E+003 + 2.400000E-002 1.000000E+016 1.621784E+000 2.564408E+000 2.319978E+000 2.728333E-004 1.976124E+003 + 2.500000E-002 1.000000E+016 1.350103E+000 2.494458E+000 2.518110E+000 2.703353E-004 1.958031E+003 + 2.600000E-002 1.000000E+016 1.497970E+000 2.311190E+000 2.488266E+000 2.679330E-004 1.940632E+003 + 2.700000E-002 1.000000E+016 1.818953E+000 2.040567E+000 2.343169E+000 2.657337E-004 1.924702E+003 + 2.800000E-002 1.000000E+016 1.509943E+000 1.928996E+000 2.659309E+000 2.634649E-004 1.908269E+003 + 2.900000E-002 1.000000E+016 1.286887E+000 1.372977E+000 3.139634E+000 2.614001E-004 1.893314E+003 + 3.000000E-002 1.000000E+016 1.463800E+000 1.111522E+000 3.109452E+000 2.597354E-004 1.881256E+003 + 3.100000E-002 1.000000E+016 7.836157E-001 6.211630E-001 3.092961E+000 2.576216E-004 1.865947E+003 + 3.200000E-002 1.000000E+016 2.598003E-001 1.648104E-001 3.016934E+000 2.561072E-004 1.854978E+003 + 3.300000E-002 1.000000E+016 -1.174018E-001 4.016639E-002 3.330872E+000 2.543332E-004 1.842128E+003 + 3.400000E-002 1.000000E+016 -5.317855E-001 -6.029525E-001 3.428962E+000 2.528590E-004 1.831451E+003 + 3.500000E-002 1.000000E+016 -2.144613E-001 4.524141E-001 4.418028E+000 2.513655E-004 1.820634E+003 + 3.600000E-002 1.000000E+016 -1.340654E-001 1.191213E+000 4.203271E+000 2.500537E-004 1.811133E+003 + 3.700000E-002 1.000000E+016 3.506928E-001 1.098620E+000 4.607171E+000 2.484015E-004 1.799165E+003 + 3.800000E-002 1.000000E+016 7.796860E-002 7.773189E-001 4.400151E+000 2.471742E-004 1.790276E+003 + 3.900000E-002 1.000000E+016 7.990081E-002 8.110643E-001 4.915350E+000 2.457268E-004 1.779792E+003 + 4.000000E-002 1.000000E+016 -1.043698E-001 1.044043E+000 4.315010E+000 2.445257E-004 1.771093E+003 + 4.100000E-002 1.000000E+016 5.058194E-001 7.405731E-001 4.115996E+000 2.433678E-004 1.762706E+003 + 4.200000E-002 1.000000E+016 3.387548E-002 8.388222E-001 4.107150E+000 2.425017E-004 1.756434E+003 + 4.300000E-002 1.000000E+016 -5.001705E-001 6.152194E-001 4.289935E+000 2.416052E-004 1.749940E+003 + 4.400000E-002 1.000000E+016 -1.842147E-001 3.431945E-001 4.075630E+000 2.409162E-004 1.744949E+003 + 4.500000E-002 1.000000E+016 -3.546594E-002 8.876595E-001 3.746183E+000 2.399656E-004 1.738065E+003 + 4.600000E-002 1.000000E+016 -1.487821E-001 2.192121E-001 2.687980E+000 2.389644E-004 1.730813E+003 + 4.700000E-002 1.000000E+016 4.498712E-001 2.323696E-001 2.890550E+000 2.382657E-004 1.725752E+003 + 4.800000E-002 1.000000E+016 1.031002E+000 -3.794016E-001 2.671317E+000 2.375440E-004 1.720525E+003 + 4.900000E-002 1.000000E+016 6.561700E-001 -1.040203E+000 3.081579E+000 2.369174E-004 1.715986E+003 + 5.000000E-002 1.000000E+016 8.996299E-001 -7.056876E-001 2.735524E+000 2.363875E-004 1.712149E+003 + 5.100000E-002 1.000000E+016 7.402389E-001 -1.335952E+000 1.663985E+000 2.357322E-004 1.707402E+003 + 5.200000E-002 1.000000E+016 3.363246E-001 -2.072503E-001 9.019023E-001 2.350246E-004 1.702277E+003 + 5.300000E-002 1.000000E+016 6.203754E-001 -2.796833E-001 9.944490E-001 2.345310E-004 1.698702E+003 + 5.400000E-002 1.000000E+016 5.977929E-001 6.590231E-001 9.397058E-001 2.342456E-004 1.696634E+003 + 5.500000E-002 1.000000E+016 4.699304E-001 2.665536E-001 1.534996E+000 2.337148E-004 1.692790E+003 + 5.600000E-002 1.000000E+016 2.256243E-001 -1.682516E-001 6.996709E-001 2.333481E-004 1.690134E+003 + 5.700000E-002 1.000000E+016 2.914025E-001 -3.028430E-001 1.630107E-001 2.330243E-004 1.687788E+003 + 5.800000E-002 1.000000E+016 1.132208E+000 7.455310E-002 3.021960E-001 2.325987E-004 1.684706E+003 + 5.900000E-002 1.000000E+016 7.215729E-001 -2.603865E-001 3.673259E-001 2.324740E-004 1.683803E+003 + 6.000000E-002 1.000000E+016 5.985303E-001 -1.236982E+000 1.967922E-001 2.319044E-004 1.679677E+003 + 6.100000E-002 1.000000E+016 1.537380E-002 -1.393419E+000 6.414089E-001 2.312904E-004 1.675230E+003 + 6.200000E-002 1.000000E+016 8.913379E-001 -6.872706E-001 6.518366E-001 2.312701E-004 1.675083E+003 + 6.300000E-002 1.000000E+016 7.849839E-001 2.090898E-001 1.445604E+000 2.309417E-004 1.672704E+003 + 6.400000E-002 1.000000E+016 -1.646560E-001 9.942927E-001 2.214252E+000 2.304485E-004 1.669133E+003 + 6.500000E-002 1.000000E+016 3.778396E-001 1.340634E+000 1.506110E+000 2.302595E-004 1.667763E+003 + 6.600000E-002 1.000000E+016 9.897289E-001 1.048962E+000 1.814283E+000 2.300281E-004 1.666087E+003 + 6.700000E-002 1.000000E+016 6.039617E-001 7.768105E-001 1.994903E+000 2.298086E-004 1.664497E+003 + 6.800000E-002 1.000000E+016 9.576146E-001 7.388812E-001 1.762792E+000 2.296733E-004 1.663518E+003 + 6.900000E-002 1.000000E+016 7.160926E-001 9.976103E-001 1.349473E+000 2.295424E-004 1.662569E+003 + 7.000000E-002 1.000000E+016 1.255169E+000 9.599493E-001 2.336525E+000 2.293401E-004 1.661105E+003 + 7.100000E-002 1.000000E+016 2.106450E+000 7.560731E-001 2.980873E+000 2.290591E-004 1.659069E+003 + 7.200000E-002 1.000000E+016 1.857969E+000 3.093413E-001 2.953163E+000 2.289441E-004 1.658236E+003 + 7.300000E-002 1.000000E+016 1.904209E+000 5.108876E-001 3.169157E+000 2.290076E-004 1.658696E+003 + 7.400000E-002 1.000000E+016 2.006805E+000 6.880648E-001 3.369056E+000 2.288129E-004 1.657286E+003 + 7.500000E-002 1.000000E+016 1.892815E+000 1.505993E+000 3.090358E+000 2.285779E-004 1.655583E+003 + 7.600000E-002 1.000000E+016 2.226580E+000 1.384828E+000 2.475492E+000 2.284259E-004 1.654483E+003 + 7.700000E-002 1.000000E+016 2.195128E+000 1.240518E+000 6.926558E-001 2.282675E-004 1.653335E+003 + 7.800000E-002 1.000000E+016 1.137877E+000 1.095236E+000 1.963245E+000 2.281756E-004 1.652670E+003 + 7.900000E-002 1.000000E+016 1.015051E+000 1.105227E+000 1.447159E+000 2.280756E-004 1.651945E+003 + 8.000000E-002 1.000000E+016 1.540456E+000 1.120939E+000 1.487611E+000 2.278435E-004 1.650265E+003 + 8.100000E-002 1.000000E+016 1.030799E+000 3.630932E-001 1.260493E+000 2.278962E-004 1.650646E+003 + 8.200000E-002 1.000000E+016 1.473143E+000 5.213161E-001 6.280897E-001 2.278736E-004 1.650483E+003 + 8.300000E-002 1.000000E+016 1.787845E+000 1.524493E-001 5.501132E-001 2.280828E-004 1.651998E+003 + 8.400000E-002 1.000000E+016 2.193689E+000 3.838730E-001 1.499986E-001 2.281943E-004 1.652805E+003 + 8.500000E-002 1.000000E+016 2.513871E+000 -6.591470E-002 -3.648401E-002 2.280825E-004 1.651996E+003 + 8.600000E-002 1.000000E+016 2.148260E+000 -4.954157E-001 3.351740E-001 2.278605E-004 1.650388E+003 + 8.700000E-002 1.000000E+016 2.557280E+000 -6.999568E-001 7.806650E-001 2.278748E-004 1.650491E+003 + 8.800000E-002 1.000000E+016 2.679866E+000 -4.935297E-001 7.358270E-001 2.279471E-004 1.651015E+003 + 8.900000E-002 1.000000E+016 2.569830E+000 -8.840927E-001 1.379369E+000 2.280500E-004 1.651760E+003 + 9.000000E-002 1.000000E+016 2.327946E+000 -3.610226E-001 1.317628E+000 2.280246E-004 1.651576E+003 + 9.100000E-002 1.000000E+016 2.287937E+000 -3.774236E-001 1.332766E+000 2.281413E-004 1.652421E+003 + 9.200000E-002 1.000000E+016 1.931685E+000 -1.006178E-001 1.917987E+000 2.281872E-004 1.652754E+003 + 9.300000E-002 1.000000E+016 1.718958E+000 -9.201061E-001 2.370334E+000 2.281595E-004 1.652553E+003 + 9.400000E-002 1.000000E+016 2.412990E+000 -4.987410E-002 1.794932E+000 2.280203E-004 1.651545E+003 + 9.500000E-002 1.000000E+016 1.903782E+000 6.442444E-001 1.479207E+000 2.281081E-004 1.652181E+003 + 9.600000E-002 1.000000E+016 1.636842E+000 4.929739E-001 1.896435E+000 2.280762E-004 1.651950E+003 + 9.700000E-002 1.000000E+016 1.359085E+000 1.242267E+000 2.218074E+000 2.279533E-004 1.651059E+003 + 9.800000E-002 1.000000E+016 1.473075E+000 1.353551E+000 1.569154E+000 2.280272E-004 1.651595E+003 + 9.900000E-002 1.000000E+016 9.210632E-001 1.746786E+000 1.581835E+000 2.279043E-004 1.650705E+003 + 1.000000E-001 1.000000E+016 1.488048E+000 1.894104E+000 1.666770E+000 2.279906E-004 1.651330E+003 + 1.010000E-001 1.000000E+016 1.419684E+000 2.151627E+000 1.746960E+000 2.280237E-004 1.651570E+003 + 1.020000E-001 1.000000E+016 1.304506E+000 1.970052E+000 1.230523E+000 2.279642E-004 1.651139E+003 + 1.030000E-001 1.000000E+016 9.448693E-001 2.954577E+000 1.064958E+000 2.276781E-004 1.649066E+003 + 1.040000E-001 1.000000E+016 1.257212E+000 3.829339E+000 8.899482E-001 2.275241E-004 1.647951E+003 + 1.050000E-001 1.000000E+016 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100644 --- a/runs/0D_Argon/curve_Temperature.gp +++ b/runs/0D_Argon/plot_Temperature.gp @@ -43,6 +43,8 @@ set output "comp_temp.eps" filename1 = "OUTPUT_Argon.dat" filename2 = "OUTPUT_Argon+.dat" +folder = 'output/' + set lmargin at screen lmar set rmargin at screen rmar @@ -58,7 +60,6 @@ set ylabel "Temperature (K)" offset 1.4,0.0 set key width 0.5 height 0.1 spacing 1.3 samplen 0.2 box opaque font ",16" set key at graph 0.95, graph 0.9 right top -plot filename1 u ($1):($7) t "Ar" ls 1 with lines, \ - filename2 u ($1):($7) t "Ar^{+}" ls 2 with lines, \ - '< paste OUTPUT_Argon.dat OUTPUT_Argon+.dat' u ($1):($7 + $14) t "Sum" ls 3 with lines +plot folder.filename1 u ($1):($7) t "Ar" ls 1 with lines, \ + folder.filename2 u ($1):($7) t "Ar^{+}" ls 2 with lines diff --git a/runs/1D_Cathode/README.txt b/runs/1D_Cathode/README.txt new file mode 100644 index 0000000..71637ae --- /dev/null +++ b/runs/1D_Cathode/README.txt @@ -0,0 +1,8 @@ +This case is useful to explain how fpakc can work with different geometries (Cartisian and Radial in this case) using very similar input files and the same mesh. + +From the position to the left, electrons are emitted at a constant rate. +The electric potential at the left is fixed at 0. + +Depending on the geometry (which affects the symmetry) different distributions of the electron density and electric potential are achieved. + +The last iteration obtained for these cases is in the output folder. diff --git a/runs/1D_Cathode/inputCart.json b/runs/1D_Cathode/inputCart.json index a2acdc3..9680ba8 100644 --- a/runs/1D_Cathode/inputCart.json +++ b/runs/1D_Cathode/inputCart.json @@ -2,7 +2,7 @@ { "output": { "path": "./runs/1D_Cathode/", - "triggerOutput": 100, + "triggerOutput": 1000, "cpuTime": false, "numColl": false, "EMField": true, @@ -20,16 +20,13 @@ "meshFile": "mesh.msh" }, "species": [ - {"name": "Electron", "type": "charged", "mass": 9.109e-31, "charge":-1.0, "weight": 1.0e1}, - {"name": "Argon+", "type": "charged", "mass": 6.633e-26, "charge": 1.0, "weight": 1.0e1} + {"name": "Electron", "type": "charged", "mass": 9.109e-31, "charge":-1.0, "weight": 1.0e1} ], "boundary": [ {"name": "Cathode", "physicalSurface": 1, "bTypes": [ - {"type": "absorption"}, {"type": "absorption"} ]}, {"name": "Infinite", "physicalSurface": 2, "bTypes": [ - {"type": "transparent"}, {"type": "transparent"} ]} ], @@ -37,17 +34,13 @@ {"name": "Cathode", "type": "dirichlet", "potential": 0.0, "physicalSurface": 1} ], "inject": [ - {"name": "Plasma Inf Ar+", "species": "Argon+", "flow": 1.00e-6, "units": "A", "v": 300.0, "T": [ 500.0, 500.0, 500.0], - "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [-1, 0, 0], "physicalSurface": 2}, - {"name": "Plasma Inf e", "species": "Electron", "flow": 2.64e-4, "units": "A", "v": 0.0, "T": [11604.0, 11604.0, 11604.0], - "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [-1, 0, 0], "physicalSurface": 2}, {"name": "Plasma Cat e", "species": "Electron", "flow": 2.64e-5, "units": "A", "v": 180000.0, "T": [ 2300.0, 2300.0, 2300.0], "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [ 1, 0, 0], "physicalSurface": 1} ], "solver": { - "tau": [1.0e-11, 1.0e-11], - "finalTime": 4.0e-6, - "pusher": ["Electrostatic", "Electrostatic"], + "tau": [1.0e-11], + "finalTime": 3.0e-7, + "pusher": ["Electrostatic"], "EMSolver": "Electrostatic" }, "parallel": { diff --git a/runs/1D_Cathode/inputRadEmission.json b/runs/1D_Cathode/inputRadEmission.json index 6f0e892..8fd8daa 100644 --- a/runs/1D_Cathode/inputRadEmission.json +++ b/runs/1D_Cathode/inputRadEmission.json @@ -2,7 +2,7 @@ { "output": { "path": "./runs/1D_Cathode/", - "triggerOutput": 100, + "triggerOutput": 1000, "cpuTime": false, "numColl": false, "EMField": true, @@ -20,16 +20,13 @@ "meshFile": "mesh.msh" }, "species": [ - {"name": "Electron", "type": "charged", "mass": 9.109e-31, "charge":-1.0, "weight": 1.0e1}, - {"name": "Argon+", "type": "charged", "mass": 6.633e-26, "charge": 1.0, "weight": 1.0e1} + {"name": "Electron", "type": "charged", "mass": 9.109e-31, "charge":-1.0, "weight": 1.0e1} ], "boundary": [ {"name": "Cathode", "physicalSurface": 1, "bTypes": [ - {"type": "absorption"}, {"type": "absorption"} ]}, {"name": "Infinite", "physicalSurface": 2, "bTypes": [ - {"type": "transparent"}, {"type": "transparent"} ]} ], @@ -37,17 +34,13 @@ {"name": "Cathode", "type": "dirichlet", "potential": 0.0, "physicalSurface": 1} ], "inject": [ - {"name": "Plasma Inf Ar+", "species": "Argon+", "flow": 1.00e-6, "units": "A", "v": 323.0, "T": [ 500.0, 500.0, 500.0], - "velDist": ["Delta", "Maxwellian", "Maxwellian"], "n": [-1, 0, 0], "physicalSurface": 2}, - {"name": "Plasma Inf e", "species": "Electron", "flow": 2.64e-4, "units": "A", "v": 0.0, "T": [11604.0, 11604.0, 11604.0], - "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [-1, 0, 0], "physicalSurface": 2}, {"name": "Plasma Cat e", "species": "Electron", "flow": 2.64e-2, "units": "A", "v": 180000.0, "T": [ 2300.0, 2300.0, 2300.0], "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [ 1, 0, 0], "physicalSurface": 1} ], "solver": { - "tau": [1.0e-11, 1.0e-11], + "tau": [1.0e-11], "finalTime": 3.0e-7, - "pusher": ["Electrostatic", "Electrostatic"], + "pusher": ["Electrostatic"], "EMSolver": "Electrostatic" }, "parallel": { diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index db9ea74..de6cc65 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -913,7 +913,6 @@ MODULE moduleInput SELECT CASE(mesh%dimen) CASE (0) - CALL config%get(object // '.meshType', meshFormat, found) CALL init0D(mesh) !Read the 0D mesh From 2850f3755108531bc840ecc97b64af247a83c98a Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sat, 10 Dec 2022 10:37:14 +0100 Subject: [PATCH 11/15] Test of examples As all pushers and geometries have change, I'm testing all examples, adding a README.txt and a reference output for each case. --- doc/user-manual/fpakc_UserManual.pdf | Bin 175069 -> 174638 bytes doc/user-manual/fpakc_UserManual.tex | 11 +- runs/1D_Cathode/inputCart.json | 4 +- .../{inputRadEmission.json => inputRad.json} | 6 +- .../output/Cartesian/OUTPUT_1000_EMField.msh | 185 + .../output/Cartesian/OUTPUT_1000_Electron.msh | 247 + .../output/Radial/OUTPUT_1000_EMField.msh | 185 + .../output/Radial/OUTPUT_1000_Electron.msh | 247 + runs/cylFlow/README.txt | 7 + runs/cylFlow/input.json | 3 +- runs/cylFlow/inputDualMesh.json | 2 +- .../cylFlow/output/dual/OUTPUT_1000_Argon.msh | 8183 +++++++++++++++++ .../output/dual/OUTPUT_1000_Collisions.msh | 1943 ++++ .../output/single/OUTPUT_1000_Argon.msh | 8183 +++++++++++++++++ .../output/single/OUTPUT_1000_Collisions.msh | 1943 ++++ 15 files changed, 21137 insertions(+), 12 deletions(-) rename runs/1D_Cathode/{inputRadEmission.json => inputRad.json} (94%) create mode 100644 runs/1D_Cathode/output/Cartesian/OUTPUT_1000_EMField.msh create mode 100644 runs/1D_Cathode/output/Cartesian/OUTPUT_1000_Electron.msh create 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b/doc/user-manual/fpakc_UserManual.tex @@ -47,6 +47,7 @@ \newglossaryentry{git}{name={Git},description={Git is a distributed version-control system for tracking changes in a set of files}} \newglossaryentry{gitlab}{name={GitLab},description={GitLab is a web-based lifecycle tool that provides a \Gls{git}-repository manager}} \newglossaryentry{gmsh}{name={Gmsh},description={A three-dimensional finite element mesh generator with built-in pre- and post-processing facilities.}} +\newglossaryentry{gnuplot}{name={Gnuplot},description={A portable command-line driven graphing utility for Linux, OS/2, MS Windows, OSX, VMS, and many other platforms.}} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \bibliography{bibliography} @@ -287,7 +288,7 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \subsection{Gmsh} Although \Gls{gmsh}\cite{gmshURL} is not required to compile and run \Gls{fpakc}, it is the default tool to generate finite element meshes and post-processing. - Right now, the only \acrshort{io} format available in \Gls{fpakc} is the v2.0 .msh format. + Right now, the only \acrshort{io} format available in \Gls{fpakc} is the v2.0 \lstinline|.msh| format. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{Installation steps} @@ -340,7 +341,7 @@ make %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{Mesh file} - \Gls{fpakc} accepts right now the version 2.0 of \Gls{gmsh} mesh format .msh in ASCII format. + \Gls{fpakc} accepts right now the version 2.0 of \Gls{gmsh} mesh format \lstinline|.msh| in ASCII format. This file contains information about the nodes, edges and volumes that define the finite element mesh used by \Gls{fpakc} to scatter particle properties and compute the self-consistent electromagnetic field. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% @@ -743,6 +744,8 @@ make %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \chapter{Example runs}\label{ch:exampleRuns} This chapter presents a description of the different example files distributed with \acrshort{fpakc}. + All examples in the repository have a \lstinline|README.txt| file and a reference output. + Plotting of the output is done with \Gls{gnuplot} or \Gls{gmsh}. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{1D Emissive Cathode (1D\_Cathode)} @@ -754,7 +757,7 @@ make %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{0D \ce{Ar}-\ce{Ar+} Elastic Collision (0D\_Argon)} Test case to check the 0D geometry that includes the elastic collision between \ce{Ar} and \ce{Ar+}. - Initial states are read from the Argon\_Initial.dat and Argon+\_Initial.dat + Initial states are read from the \lstinline|Argon_Initial.dat| and \lstinline|Argon+_Initial.dat|. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{ALPHIE Grid system (ALPHIE\_Grid)} @@ -765,7 +768,7 @@ make \section{Flow around cylinder (cylFlow)} Simple case of neutral Argon flow around a cylinder in a 2D axial-symmetry geometry. Elastic collisions between argon particles are included. - Two cases are presented here: one in which the same mesh (meshSingle.msh) for scattering and collisions is used (input.json) and a second one (inputDualMesh.json) in which a mesh is used for scattering (mesh.msh) and a second one is used only for collisions (meshColl.msh). + Two cases are presented here: one in which the same mesh (\lstinline|meshSingle.msh|) for scattering and collisions is used (\lstinline|input.json|) and a second one (\lstinline|inputDualMesh.json|) in which a mesh is used for scattering (\lstinline|mesh.msh|) and a second one is used only for collisions (\lstinline|meshColl.msh|). %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \printglossaries diff --git a/runs/1D_Cathode/inputCart.json b/runs/1D_Cathode/inputCart.json index 9680ba8..98d9e1a 100644 --- a/runs/1D_Cathode/inputCart.json +++ b/runs/1D_Cathode/inputCart.json @@ -2,7 +2,7 @@ { "output": { "path": "./runs/1D_Cathode/", - "triggerOutput": 1000, + "triggerOutput": 100, "cpuTime": false, "numColl": false, "EMField": true, @@ -39,7 +39,7 @@ ], "solver": { "tau": [1.0e-11], - "finalTime": 3.0e-7, + "finalTime": 1.0e-8, "pusher": ["Electrostatic"], "EMSolver": "Electrostatic" }, diff --git a/runs/1D_Cathode/inputRadEmission.json b/runs/1D_Cathode/inputRad.json similarity index 94% rename from runs/1D_Cathode/inputRadEmission.json rename to runs/1D_Cathode/inputRad.json index 8fd8daa..34a09ce 100644 --- a/runs/1D_Cathode/inputRadEmission.json +++ b/runs/1D_Cathode/inputRad.json @@ -2,7 +2,7 @@ { "output": { "path": "./runs/1D_Cathode/", - "triggerOutput": 1000, + "triggerOutput": 100, "cpuTime": false, "numColl": false, "EMField": true, @@ -15,7 +15,7 @@ }, "geometry": { "dimension": 1, - "type": "Cart", + "type": "Rad", "meshType": "gmsh2", "meshFile": "mesh.msh" }, @@ -39,7 +39,7 @@ ], "solver": { "tau": [1.0e-11], - "finalTime": 3.0e-7, + "finalTime": 1.0e-8, "pusher": 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independent meshes for particles and collisions. + +CPU time is outputed. +Gnuplot scripts for plotting the CPU time are provided. diff --git a/runs/cylFlow/input.json b/runs/cylFlow/input.json index 677206e..fc7bd02 100644 --- a/runs/cylFlow/input.json +++ b/runs/cylFlow/input.json @@ -43,9 +43,8 @@ }, "solver": { "tau": [5.0e-7], - "finalTime": 1.0e-3, + "finalTime": 5.0e-4, "pusher": ["Neutral"], - "WeightingScheme": "Volume" }, "interactions": { "folderCollisions": "./data/collisions/", diff --git a/runs/cylFlow/inputDualMesh.json b/runs/cylFlow/inputDualMesh.json index 42d539c..78eec58 100644 --- a/runs/cylFlow/inputDualMesh.json +++ b/runs/cylFlow/inputDualMesh.json @@ -44,7 +44,7 @@ }, "solver": { "tau": [5.0e-7], - "finalTime": 1.0e-3, + "finalTime": 5.0e-4, "pusher": ["Neutral"], "WeightingScheme": "Volume" }, diff --git a/runs/cylFlow/output/dual/OUTPUT_1000_Argon.msh b/runs/cylFlow/output/dual/OUTPUT_1000_Argon.msh new file mode 100644 index 0000000..38bba30 --- /dev/null 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modified to generate new grids to test different configurations. + +Two cases are provided: + Clasical case in which ions and electrons are input from the ionization chamber. + Ionization case in which ion-electron pairs are generated due to the influx of electrons using the Ionization boundary condition. From 924ba4e20e2d36adfc04f9761551637b80dcaa28 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Sun, 11 Dec 2022 22:39:28 +0100 Subject: [PATCH 13/15] Alphie grid case and issues Output for the example ALPHIE_Grid. Found an issue when multiple injections were used with species with different time steps. Modification to the way to compute the ionization boundary: The maximum number of ionizations is computed by eRel/eThreshold (relative energy / threshold of ionization) For each possible ionization, the probability of ionization is computed based on the density of neutrals, cross section and effective time divided by the number of maximum ionizations. If an ionization takes place, the ionization energy is substracted from the relative energy. --- runs/ALPHIE_Grid/inputBaseCase.json | 9 +- runs/ALPHIE_Grid/inputIonization_0.10mA.json | 9 +- runs/ALPHIE_Grid/mesh.geo | 10 +- runs/ALPHIE_Grid/mesh.msh | 2674 ++++++++-------- .../output/Classic/OUTPUT_100000_Argon+.msh | 2839 +++++++++++++++++ .../output/Classic/OUTPUT_100000_EMField.msh | 2021 ++++++++++++ .../output/Classic/OUTPUT_100000_Electron.msh | 2839 +++++++++++++++++ .../Ionization/OUTPUT_100000_Argon+.msh | 2839 +++++++++++++++++ .../Ionization/OUTPUT_100000_EMField.msh | 2021 ++++++++++++ .../Ionization/OUTPUT_100000_Electron.msh | 2839 +++++++++++++++++ src/modules/mesh/moduleMeshBoundary.f90 | 31 +- src/modules/moduleInject.f90 | 12 +- 12 files changed, 16778 insertions(+), 1365 deletions(-) create mode 100644 runs/ALPHIE_Grid/output/Classic/OUTPUT_100000_Argon+.msh create mode 100644 runs/ALPHIE_Grid/output/Classic/OUTPUT_100000_EMField.msh create mode 100644 runs/ALPHIE_Grid/output/Classic/OUTPUT_100000_Electron.msh create mode 100644 runs/ALPHIE_Grid/output/Ionization/OUTPUT_100000_Argon+.msh create mode 100644 runs/ALPHIE_Grid/output/Ionization/OUTPUT_100000_EMField.msh create mode 100644 runs/ALPHIE_Grid/output/Ionization/OUTPUT_100000_Electron.msh diff --git a/runs/ALPHIE_Grid/inputBaseCase.json b/runs/ALPHIE_Grid/inputBaseCase.json index db58686..b20d3a6 100644 --- a/runs/ALPHIE_Grid/inputBaseCase.json +++ b/runs/ALPHIE_Grid/inputBaseCase.json @@ -46,14 +46,15 @@ "boundaryEM": [ {"name": "Extraction Grid", "type": "dirichlet", "potential": -150.0, "physicalSurface": 4}, {"name": "Acceleration Grid", "type": "dirichlet", "potential": -600.0, "physicalSurface": 5}, - {"name": "Ionization Chamber", "type": "dirichlet", "potential": 0.0, "physicalSurface": 1} + {"name": "Ionization Chamber", "type": "dirichlet", "potential": 0.0, "physicalSurface": 1}, + {"name": "Infinite", "type": "dirichlet", "potential": -600.0, "physicalSurface": 2} ], "inject": [ - {"name": "Ionization Argon+", "species": "Argon+", "flow": 27.0e-6, "units": "A", "v": 322.0, "T": [ 500.0, 500.0, 500.0], + {"name": "Ionization Argon+", "species": "Argon+", "flow": 1.0e-5, "units": "A", "v": 2500.0, "T": [ 500.0, 500.0, 500.0], "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [ 1, 0, 0], "physicalSurface": 1}, - {"name": "Ionization Electron", "species": "Electron", "flow": 27.0e-6, "units": "A", "v": 87000.0, "T": [ 500.0, 500.0, 500.0], + {"name": "Ionization Electron", "species": "Electron", "flow": 1.0e-5, "units": "A", "v": 87000.0, "T": [30000.0, 30000.0, 30000.0], "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [ 1, 0, 0], "physicalSurface": 1}, - {"name": "Cathode Electron", "species": "Electron", "flow": 9.0e-5, "units": "A", "v": 87000.0, "T": [2500.0, 2500.0, 2500.0], + {"name": "Cathode Electron", "species": "Electron", "flow": 1.0e-4, "units": "A", "v": 87000.0, "T": [30000.0, 30000.0, 30000.0], "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [-1, 0, 0], "physicalSurface": 2} ], "reference": { diff --git a/runs/ALPHIE_Grid/inputIonization_0.10mA.json b/runs/ALPHIE_Grid/inputIonization_0.10mA.json index d328139..cc51f2d 100644 --- a/runs/ALPHIE_Grid/inputIonization_0.10mA.json +++ b/runs/ALPHIE_Grid/inputIonization_0.10mA.json @@ -5,7 +5,7 @@ "cpuTime": false, "numColl": false, "EMField": true, - "folder": "ionization_0.10mA" + "folder": "ionization_0.10mA" }, "geometry": { "dimension": 2, @@ -20,7 +20,7 @@ "boundary": [ {"name": "Ionization Chanber", "physicalSurface": 1, "bTypes": [ {"type": "transparent"}, - {"type": "ionization", "neutral": {"ion": "Argon+", "mass": 6.633e-26, "density": 1.0e17, "velocity": [323, 0, 0], "temperature": 300}, + {"type": "ionization", "neutral": {"ion": "Argon+", "mass": 6.633e-26, "density": 5.0e16, "velocity": [2500, 0, 0], "temperature": 300}, "effectiveTime": 5.0e-6,"energyThreshold": 15.76, "crossSection": "./data/collisions/IO_e-Ar.dat"} ]}, {"name": "Vacuum Chamber", "physicalSurface": 2, "bTypes": [ @@ -47,10 +47,11 @@ "boundaryEM": [ {"name": "Extraction Grid", "type": "dirichlet", "potential": -150.0, "physicalSurface": 4}, {"name": "Acceleration Grid", "type": "dirichlet", "potential": -600.0, "physicalSurface": 5}, - {"name": "Ionization Chamber", "type": "dirichlet", "potential": 0.0, "physicalSurface": 1} + {"name": "Ionization Chamber", "type": "dirichlet", "potential": 0.0, "physicalSurface": 1}, + {"name": "Infinite", "type": "dirichlet", "potential": -600.0, "physicalSurface": 2} ], "inject": [ - {"name": "Cathode Electron", "species": "Electron", "flow": 1.0e-4, "units": "A", "v": 87000.0, "T": [2500.0, 2500.0, 2500.0], + {"name": "Cathode Electron", "species": "Electron", "flow": 1.0e-4, "units": "A", "v": 87000.0, "T": [30000.0, 30000.0, 30000.0], "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [-1, 0, 0], "physicalSurface": 2} ], "reference": { diff --git a/runs/ALPHIE_Grid/mesh.geo b/runs/ALPHIE_Grid/mesh.geo index f76e393..b4021cc 100644 --- a/runs/ALPHIE_Grid/mesh.geo +++ b/runs/ALPHIE_Grid/mesh.geo @@ -1,11 +1,11 @@ -zg1 = 0.0025; -tg1 = 0.0004; +zg1 = 0.0020; +tg1 = 0.0003; rg1 = 0.0005; -dg = 0.0025; -zg2 = zg1+tg1+dg; +dg = 0.0020; +zg2 = zg1 + tg1 + dg; tg2 = tg1; rg2 = rg1; -zEnd = 0.0042; +zEnd = 0.0050; Lz = zg2 + tg2 + zEnd; Lr = rg1 + 0.0001; diff --git a/runs/ALPHIE_Grid/mesh.msh b/runs/ALPHIE_Grid/mesh.msh index 0b73a77..0714ec1 100644 --- a/runs/ALPHIE_Grid/mesh.msh +++ b/runs/ALPHIE_Grid/mesh.msh @@ -2,711 +2,709 @@ $MeshFormat 2.2 0 8 $EndMeshFormat $Nodes -701 +699 1 0 0 0 -2 0.0025 0 0 -3 0.0029 0 0 -4 0.0054 0 0 -5 0.0058 0 0 +2 0.002 0 0 +3 0.0025 0 0 +4 0.004500000000000001 0 0 +5 0.005000000000000001 0 0 6 0.01 0 0 7 0.01 0.0005 0 -8 0.01 0.0005999999999999999 0 -9 0.0058 0.0005999999999999999 0 -10 0.0058 0.0005 0 -11 0.0054 0.0005 0 -12 0.0054 0.0005999999999999999 0 -13 0.0029 0.0005999999999999999 0 -14 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2.044819E+004 + 689 2.716955E+004 + 690 2.480474E+004 + 691 2.409948E+004 + 692 2.519903E+004 + 693 2.537669E+004 + 694 2.482852E+004 + 695 2.484168E+004 + 696 2.382806E+004 + 697 2.791251E+004 + 698 2.614629E+004 + 699 2.462437E+004 +$EndNodeData diff --git a/src/modules/mesh/moduleMeshBoundary.f90 b/src/modules/mesh/moduleMeshBoundary.f90 index 5f3bc26..91edb35 100644 --- a/src/modules/mesh/moduleMeshBoundary.f90 +++ b/src/modules/mesh/moduleMeshBoundary.f90 @@ -110,31 +110,34 @@ MODULE moduleMeshBoundary USE moduleMesh USE moduleRefParam USE moduleRandom + USE moduleMath IMPLICIT NONE CLASS(meshEdge), INTENT(inout):: edge CLASS(particle), INTENT(inout):: part REAL(8):: vRel, eRel, mRel !relative velocity, energy and mass - REAL(8):: ionizationRate - INTEGER:: ionizationPair, p + REAL(8):: nIonizations !Number of ionizations based on eRel + REAL(8):: pIonization !Probability of ionization of each event + INTEGER:: p REAL(8):: v0(1:3) !random velocity of neutral TYPE(particle), POINTER:: newElectron TYPE(particle), POINTER:: newIon SELECT TYPE(bound => edge%boundary%bTypes(part%species%n)%obj) TYPE IS(boundaryIonization) - mRel = (bound%m0*part%species%m)*(bound%m0+part%species%m) + mRel = reducedMass(bound%m0, part%species%m) vRel = SUM(DABS(part%v-bound%v0)) eRel = mRel*vRel**2*5.D-1 - IF (eRel > bound%eThreshold) THEN - ionizationRate = part%weight*bound%n0*bound%crossSection%get(eRel)*vRel + !Maximum number of possible ionizations based on relative energy + nIonizations = eRel/bound%eThreshold - !Rounds the number of particles up - ionizationPair = NINT(ionizationRate*bound%effectiveTime/bound%species%weight) + DO p = 1, FLOOR(nIonizations) + !Get probability of ionization + pIonization = 1.D0 - DEXP(-bound%n0*bound%crossSection%get(eRel)*vRel*bound%effectiveTime/nIonizations) - !Create the new pair of particles - DO p = 1, ionizationPair + !If a random number is below the probability of ionization, create new pair of ion-electron + IF (random() < pIonization) THEN !Assign random velocity to the neutral v0(1) = bound%v0(1) + bound%vTh*randomMaxwellian() v0(2) = bound%v0(2) + bound%vTh*randomMaxwellian() @@ -159,7 +162,7 @@ MODULE moduleMeshBoundary newElectron%xi = mesh%vols(part%vol)%obj%phy2log(newElectron%r) newIon%xi = newElectron%xi - newElectron%weight = bound%species%weight + newElectron%weight = part%weight newIon%weight = newElectron%weight newElectron%n_in = .TRUE. @@ -171,9 +174,13 @@ MODULE moduleMeshBoundary CALL partSurfaces%add(newIon) CALL OMP_UNSET_LOCK(lockSurfaces) - END DO + !Electron loses energy due to ionization + eRel = eRel - bound%eThreshold + vRel = 2.D0*DSQRT(eRel)/mRel - END IF + END IF + + END DO END SELECT diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index 26f5ce1..fef500e 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -252,12 +252,22 @@ MODULE moduleInject CLASS(injectGeneric), INTENT(in):: self INTEGER:: randomX INTEGER, SAVE:: nMin, nMax !Min and Max index in partInj array + INTEGER:: i INTEGER:: n, sp CLASS(meshEdge), POINTER:: randomEdge !Insert particles !$OMP SINGLE - nMin = SUM(inject(1:(self%id-1))%nParticles) + 1 + nMin = 0 + DO i = 1, self%id -1 + IF (solver%pusher(inject(i)%species%n)%pushSpecies) THEN + nMin = nMin + inject(i)%nParticles + + END IF + + END DO + + nMin = nMin + 1 nMax = nMin + self%nParticles - 1 !Assign weight to particle. partInj(nMin:nMax)%weight = self%species%weight From 2ee58b6b771fdb45e68e8073e528712ad4eac674 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Mon, 12 Dec 2022 17:36:10 +0100 Subject: [PATCH 14/15] Small change to ionization boundary Very small change in formats to better account the ionization processes. Minimum impact in results. --- src/modules/mesh/moduleMeshBoundary.f90 | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/src/modules/mesh/moduleMeshBoundary.f90 b/src/modules/mesh/moduleMeshBoundary.f90 index 91edb35..c5f3fc3 100644 --- a/src/modules/mesh/moduleMeshBoundary.f90 +++ b/src/modules/mesh/moduleMeshBoundary.f90 @@ -116,7 +116,7 @@ MODULE moduleMeshBoundary CLASS(meshEdge), INTENT(inout):: edge CLASS(particle), INTENT(inout):: part REAL(8):: vRel, eRel, mRel !relative velocity, energy and mass - REAL(8):: nIonizations !Number of ionizations based on eRel + INTEGER:: nIonizations !Number of ionizations based on eRel REAL(8):: pIonization !Probability of ionization of each event INTEGER:: p REAL(8):: v0(1:3) !random velocity of neutral @@ -130,11 +130,11 @@ MODULE moduleMeshBoundary eRel = mRel*vRel**2*5.D-1 !Maximum number of possible ionizations based on relative energy - nIonizations = eRel/bound%eThreshold + nIonizations = FLOOR(eRel/bound%eThreshold) - DO p = 1, FLOOR(nIonizations) + DO p = 1, nIonizations !Get probability of ionization - pIonization = 1.D0 - DEXP(-bound%n0*bound%crossSection%get(eRel)*vRel*bound%effectiveTime/nIonizations) + pIonization = 1.D0 - DEXP(-bound%n0*bound%crossSection%get(eRel)*vRel*bound%effectiveTime/REAL(nIonizations)) !If a random number is below the probability of ionization, create new pair of ion-electron IF (random() < pIonization) THEN From c7d205e4dd05892e3a08fdf7ceb3aaff66e95e13 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Mon, 12 Dec 2022 17:57:18 +0100 Subject: [PATCH 15/15] fix possible issue in particle injection --- src/modules/moduleInject.f90 | 1 + 1 file changed, 1 insertion(+) diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index fef500e..6b8c7a0 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -156,6 +156,7 @@ MODULE moduleInject !Calculates cumulative probability ALLOCATE(self%cumWeight(1:self%nEdges)) + et = 1 self%cumWeight(1) = mesh%edges(self%edges(et))%obj%weight DO et = 2, self%nEdges self%cumWeight(et) = mesh%edges(self%edges(et))%obj%weight + self%cumWeight(et-1)