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Method to divide collisions from a collisional iteration into multiple

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pushing iterations.
This commit is contained in:
Jorge Gonzalez 2021-01-02 12:50:22 +01:00
commit 4ba08e74af
7 changed files with 110 additions and 64 deletions
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11
runs/Argon_Expansion/CX_case.json
View file

@ -3,7 +3,7 @@
"path": "./runs/Argon_Expansion/",
"triggerOutput": 10,
"cpuTime": false,
"numColl": false
"numColl": true
},
"geometry": {
"type": "2DCyl",
@ -12,7 +12,7 @@
},
"species": [
{"name": "Argon", "type": "neutral", "mass": 6.633e-26, "weight": 1.0e8, "ion": "Argon+"},
{"name": "Argon+", "type": "charged", "mass": 6.633e-26, "weight": 1.0e8, "neutral": "Argon"}
{"name": "Argon+", "type": "charged", "mass": 6.633e-26, "weight": 1.0e8, "charge": 1.0, "neutral": "Argon"}
],
"boundary": [
{"name": "Injection", "physicalSurface": 1, "bTypes": [
@ -29,9 +29,9 @@
]}
],
"inject": [
{"name": "Exhausts Ar", "species": "Argon", "flow": 1.7, "units": "sccm", "v": 300.0, "T": [300.0, 300.0, 300.0],
{"name": "Exhausts Ar", "species": "Argon", "flow": 0.7, "units": "sccm", "v": 300.0, "T": [300.0, 300.0, 300.0],
"velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [1, 0, 0], "physicalSurface": 1},
{"name": "Exhausts Ar+", "species": "Argon+", "flow": 1.3, "units": "sccm", "v": 40000.0, "T": [300.0, 300.0, 300.0],
{"name": "Exhausts Ar+", "species": "Argon+", "flow": 0.3, "units": "sccm", "v": 40000.0, "T": [300.0, 300.0, 300.0],
"velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [1, 0, 0], "physicalSurface": 1}
],
"reference": {
@ -41,13 +41,14 @@
"radius": 1.88e-10
},
"case": {
"tau": [1.0e-4, 1.0e-6],
"tau": [1.0e-5, 1.0e-6],
"time": 4.0e-3,
"pusher": ["2DCylNeutral", "2DCylNeutral"],
"WeightingScheme": "Volume"
},
"interactions": {
"folderCollisions": "./data/collisions/",
"tauCollisions": 1e-4,
"collisions": [
{"species_i": "Argon", "species_j": "Argon",
"cTypes": [

8
src/modules/mesh/1DRad/moduleMesh1DRad.f90
View file

@ -352,7 +352,7 @@ MODULE moduleMesh1DRad
!Computes local stiffness matrix
PURE FUNCTION elemKRad(self) RESULT(ke)
USE moduleConstParam, ONLY: PI
USE moduleConstParam, ONLY: PI2
IMPLICIT NONE
CLASS(meshVol1DRadSegm), INTENT(in):: self
@ -371,12 +371,12 @@ MODULE moduleMesh1DRad
ke(1,:) = (/ dPsi(1,1)*dPsi(1,1), dPsi(1,1)*dPsi(1,2) /)
ke(2,:) = (/ dPsi(1,2)*dPsi(1,1), dPsi(1,2)*dPsi(1,2) /)
ke = 2.D0*ke*invJ
ke = ke*r*2.D0*PI
ke = ke*r*PI2
END FUNCTION elemKRad
PURE FUNCTION elemFRad(self, source) RESULT(localF)
USE moduleConstParam, ONLY: PI
USE moduleConstParam, ONLY: PI2
IMPLICIT NONE
CLASS(meshVol1DRadSegm), INTENT(in):: self
@ -393,7 +393,7 @@ MODULE moduleMesh1DRad
r = DOT_PRODUCT(fPsi,self%r)
ALLOCATE(localF(1:2))
localF = 2.D0*DOT_PRODUCT(fPsi, source)*detJ
localF = localF*r*2.D0*PI
localF = localF*r*PI2
END FUNCTION elemFRad

22
src/modules/mesh/2DCyl/moduleMeshCyl.f90
View file

@ -369,7 +369,7 @@ MODULE moduleMeshCyl
!Computes element area
PURE SUBROUTINE areaQuad(self)
USE moduleConstParam
USE moduleConstParam, ONLY: PI8
IMPLICIT NONE
CLASS(meshVolCylQuad), INTENT(inout):: self
@ -381,7 +381,7 @@ MODULE moduleMeshCyl
self%arNodes = 0.D0
!2D 1 point Gauss Quad Integral
xi = 0.D0
detJ = self%detJac(xi)*8.D0*PI !4*2*pi
detJ = self%detJac(xi)*PI8 !4*2*pi
fPsi = self%fPsi(xi)
r = DOT_PRODUCT(fPsi,self%r)
self%volume = r*detJ
@ -466,7 +466,7 @@ MODULE moduleMeshCyl
!Computes element local stiffness matrix
PURE FUNCTION elemKQuad(self) RESULT(ke)
USE moduleConstParam, ONLY: PI
USE moduleConstParam, ONLY: PI2
IMPLICIT NONE
CLASS(meshVolCylQuad), INTENT(in):: self
@ -493,13 +493,13 @@ MODULE moduleMeshCyl
END DO
END DO
ke = ke*2.D0*PI
ke = ke*PI2
END FUNCTION elemKQuad
!Computes the local source vector for a force f
PURE FUNCTION elemFQuad(self, source) RESULT(localF)
USE moduleConstParam
USE moduleConstParam, ONLY: PI2
IMPLICIT NONE
CLASS(meshVolCylQuad), INTENT(in):: self
@ -525,7 +525,7 @@ MODULE moduleMeshCyl
END DO
END DO
localF = localF*2.D0*PI
localF = localF*PI2
END FUNCTION elemFQuad
@ -760,7 +760,7 @@ MODULE moduleMeshCyl
!Calculates area for triangular element
PURE SUBROUTINE areaTria(self)
USE moduleConstParam
USE moduleConstParam, ONLY: PI
IMPLICIT NONE
CLASS(meshVolCylTria), INTENT(inout):: self
@ -851,7 +851,7 @@ MODULE moduleMeshCyl
!Computes element local stiffness matrix
PURE FUNCTION elemKTria(self) RESULT(ke)
USE moduleConstParam
USE moduleConstParam, ONLY: PI2
IMPLICIT NONE
CLASS(meshVolCylTria), INTENT(in):: self
@ -875,13 +875,13 @@ MODULE moduleMeshCyl
ke = ke + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*r*wTria(l)/detJ
END DO
ke = ke*2.D0*PI
ke = ke*PI2
END FUNCTION elemKTria
!Computes element local source vector
PURE FUNCTION elemFTria(self, source) RESULT(localF)
USE moduleConstParam
USE moduleConstParam, ONLY: PI2
IMPLICIT NONE
CLASS(meshVolCylTria), INTENT(in):: self
@ -906,7 +906,7 @@ MODULE moduleMeshCyl
localF = localF + r*f*fPsi*wTria(l)*detJ
END DO
localF = localF*2.D0*PI
localF = localF*PI2
END FUNCTION elemFTria

36
src/modules/mesh/moduleMesh.f90
View file

@ -379,7 +379,7 @@ MODULE moduleMesh
END SUBROUTINE findCell
!Computes collisions in element
SUBROUTINE collision(self)
SUBROUTINE collision(self, t)
USE moduleCollisions
USE moduleSpecies
USE moduleList
@ -388,8 +388,12 @@ MODULE moduleMesh
IMPLICIT NONE
CLASS(meshVol), INTENT(inout):: self
INTEGER, INTENT(in):: t
INTEGER:: modCollisions !Remain of current iteration and everyCollisions
INTEGER:: iterToCollisions !Number of iterations from current to next collision
INTEGER:: nPart !Number of particles inside the cell
REAL(8):: pMax !Maximum probability of collision
INTEGER:: nCollIter !Number of collisions to be computed in this iteration
INTEGER:: rnd !random index
TYPE(particle), POINTER:: part_i, part_j
INTEGER:: n !collision
@ -397,19 +401,36 @@ MODULE moduleMesh
REAL(8):: sigmaVrelMaxNew
TYPE(pointerArray), ALLOCATABLE:: partTemp(:)
self%nColl = 0
modCollisions = MOD(t, everyCollisions)
iterToCollisions = everyCollisions - modCollisions
nPart = self%listPart_in%amount
IF (nPart > 1) THEN
IF (modCollisions == 0) THEN
!Collisional iteration, computes the number of iterations
pMax = self%totalWeight*self%sigmaVrelMax*tauCollisions/self%volume
self%nColl = INT(REAL(nPart)*pMax*0.5D0)
!Converts the list of particles to an array for easy access
IF (self%nColl > 0) THEN
partTemp = self%listPart_in%convert2Array()
END IF
IF (self%nColl > iterToCollisions) THEN
nCollIter = self%nColl / iterToCollisions
ELSE
nCollIter = self%nColl
END IF
DO n = 1, self%nColl
IF (nCollIter > 0) THEN
!Converts the list of particles to an array for easy access
partTemp = self%listPart_in%convert2Array()
!Removes collisions from this iteration form the total in the cell
self%nColl = self%nColl - nCollIter
END IF
DO n = 1, nCollIter
!Select random numbers
rnd = random(1, nPart)
part_i => partTemp(rnd)%part
@ -429,11 +450,8 @@ MODULE moduleMesh
END IF
END DO
END IF
self%totalWeight = 0.D0
END SUBROUTINE collision
SUBROUTINE printOutputGmsh(self, t)

72
src/modules/moduleCollisions.f90
View file

@ -4,7 +4,8 @@ MODULE moduleCollisions
!Abstract type for collision between two particles
TYPE, ABSTRACT:: collisionBinary
REAL(8):: rMass !reduced mass
REAL(8):: rMass !Reduced mass
REAL(8):: sMass !Summed mass
TYPE(table1D):: crossSec !cross section of collision
CONTAINS
PROCEDURE(collideBinary_interface), PASS, DEFERRED:: collide
@ -33,9 +34,6 @@ MODULE moduleCollisions
!Binary elastic interaction
TYPE, EXTENDS(collisionBinary):: collisionBinaryElastic
!Weight distribution for Maxwellian function
REAL(8):: w_i = (1.D0+DSQRT(3.D0))/2.D0
REAL(8):: w_j = (DSQRT(3.D0)-1.D0)/2.D0
CONTAINS
PROCEDURE, PASS:: collide => collideBinaryElastic
@ -86,6 +84,35 @@ MODULE moduleCollisions
INTEGER:: everyCollisions
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)
END FUNCTION velocityCM
!Random direction for hard sphere collisions
FUNCTION randomDirectionVHS() RESULT(n)
USE moduleConstParam
USE moduleRandom
IMPLICIT NONE
REAL(8):: n(1:3)
REAL(8):: cosXii, sinXii, eps
cosXii = random(-1.D0, 1.D0)
sinXii = DSQRT(1.D0 - cosXii**2)
eps = random(0.D0, PI2)
n = (/ cosXii, sinXii*DCOS(eps), sinXii*DSIN(eps) /)
END FUNCTION randomDirectionVHS
!Inits the interaction matrix
SUBROUTINE initInteractionMatrix(interactionMatrix)
USE moduleSpecies
@ -146,7 +173,8 @@ MODULE moduleCollisions
CALL collision%crossSec%convert(eV2J/(m_ref*v_ref**2), 1.D0/L_ref**2)
!Calculates reduced mass
collision%rMass = (mass_i*mass_j)/(mass_i+mass_j)
collision%sMass = mass_i+mass_j
collision%rMass = (mass_i*mass_j)/collision%sMass
END SUBROUTINE initBinaryElastic
@ -165,9 +193,9 @@ MODULE moduleCollisions
REAL(8):: sigmaVrel
REAL(8):: vRel !relative velocity
REAL(8):: eRel !relative energy
REAL(8):: vp_i, vp_j, v_i, v_j !post and pre-collision velocities
REAL(8):: v_ij !sum of velocities modules
REAL(8):: alpha !random angle of scattering
REAL(8):: m_i, m_j
REAL(8), DIMENSION(1:3):: vCM
REAL(8):: vp(1:3)
!eRel (in units of [m][L]^2[t]^-2
vRel = SUM(DABS(part_i%v-part_j%v)) !TODO make function of norm1
@ -175,18 +203,15 @@ MODULE moduleCollisions
sigmaVrel = self%crossSec%get(eRel)*vRel
sigmaVrelMaxNew = sigmaVrelMaxNew + sigmaVrel
IF (sigmaVrelMaxNew/sigmaVrelMax > random()) THEN
m_i = species(part_i%sp)%obj%m
m_j = species(part_j%sp)%obj%m
!Applies the collision
v_i = NORM2(part_i%v)
v_j = NORM2(part_j%v)
v_ij = v_i+v_j
vp_j = v_ij*self%w_i
vp_i = v_ij*self%w_j
alpha = PI*random()
part_i%v(1) = vp_i*DCOS(alpha)
part_i%v(2) = vp_i*DSIN(alpha)
alpha = PI*random()
part_j%v(1) = vp_j*DCOS(alpha)
part_j%v(2) = vp_j*DSIN(alpha)
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%sMass
part_j%v = vCM - m_i*vp/self%sMass
END IF
@ -218,7 +243,8 @@ MODULE moduleCollisions
CALL collision%crossSec%convert(eV2J/(m_ref*v_ref**2), 1.D0/L_ref**2)
!Calculates reduced mass
collision%rMass = (mass_i*mass_j)/(mass_i+mass_j)
collision%sMass = mass_i+mass_j
collision%rMass = (mass_i*mass_j)/collision%sMass
!Specific parameters for ionization collision
SELECT TYPE(collision)
@ -348,7 +374,8 @@ MODULE moduleCollisions
CALL collision%crossSec%convert(eV2J/(m_ref*v_ref**2), 1.D0/L_ref**2)
!Calculates reduced mass
collision%rMass = (mass_i*mass_j)/(mass_i+mass_j)
collision%sMass = mass_i+mass_j
collision%rMass = (mass_i*mass_j)/collision%sMass
!Specific parameters for ionization collision
SELECT TYPE(collision)
@ -453,7 +480,8 @@ MODULE moduleCollisions
CALL collision%crossSec%convert(eV2J/(m_ref*v_ref**2), 1.D0/L_ref**2)
!Calculates reduced mass
collision%rMass = (mass_i*mass_j)/(mass_i+mass_j)
collision%sMass = mass_i+mass_j
collision%rMass = (mass_i*mass_j)/collision%sMass
END SUBROUTINE initBinaryChargeExchange

2
src/modules/moduleConstParam.f90
View file

@ -5,6 +5,8 @@ MODULE moduleConstParam
PUBLIC
REAL(8), PARAMETER:: PI = 4.D0*DATAN(1.D0) !number pi
REAL(8), PARAMETER:: PI2 = 2.D0*PI !2*pi
REAL(8), PARAMETER:: PI8 = 8.D0*PI !2*pi
REAL(8), PARAMETER:: sccm2atomPerS = 4.5D17 !sccm to atom s^-1
REAL(8), PARAMETER:: qe = 1.60217662D-19 !Elementary charge
REAL(8), PARAMETER:: kb = 1.38064852D-23 !Boltzmann constants SI

7
src/modules/moduleSolver.f90
View file

@ -297,21 +297,17 @@ MODULE moduleSolver
!Do the collisions in all the cells
SUBROUTINE doCollisions(t)
USE moduleMesh
USE moduleCollisions
IMPLICIT NONE
INTEGER, INTENT(in):: t
INTEGER:: e
IF (MOD(t, everyCollisions) == 0) THEN
!$OMP DO SCHEDULE(DYNAMIC)
DO e=1, mesh%numVols
CALL mesh%vols(e)%obj%collision()
CALL mesh%vols(e)%obj%collision(t)
END DO
!$OMP END DO
END IF
END SUBROUTINE doCollisions
SUBROUTINE doReset()
@ -417,6 +413,7 @@ MODULE moduleSolver
!$OMP SECTION
!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()
END DO