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Issue with random position in volumes

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Fixed an issue in which  the position in triangular an thetrahedron
elements were not correctly being computed.

Other minor issues fixed:
  - Units in input file now do not use '/'.
  - Collisions accuratly conserve momentum.
  - Minor improvements in mass calculation in collisions.
This commit is contained in:
Jorge Gonzalez 2021-05-24 12:37:16 +02:00
commit 9af3429395
7 changed files with 95 additions and 35 deletions
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2
src/modules/mesh/2DCart/moduleMesh2DCart.f90
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@ -622,7 +622,7 @@ MODULE moduleMesh2DCart
REAL(8), ALLOCATABLE:: fPsi(:)
xii(1) = random( 0.D0, 1.D0)
xii(2) = random( 0.D0, 1.D0)
xii(2) = random( 0.D0, 1.D0 - xii(1))
xii(3) = 0.D0
fPsi = self%fPsi(xii)

3
src/modules/mesh/2DCyl/moduleMesh2DCyl.f90
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@ -643,10 +643,9 @@ MODULE moduleMesh2DCyl
REAL(8), ALLOCATABLE:: fPsi(:)
xii(1) = random( 0.D0, 1.D0)
xii(2) = random( 0.D0, 1.D0)
xii(2) = random( 0.D0, 1.D0 - xii(1))
xii(3) = 0.D0
ALLOCATE(fPsi(1:3))
fPsi = self%fPsi(xii)
r(1) = DOT_PRODUCT(fPsi, self%z)

10
src/modules/mesh/3DCart/moduleMesh3DCart.f90
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@ -215,7 +215,9 @@ MODULE moduleMesh3DCart
REAL(8):: xii(1:3)
REAL(8):: fPsi(1:3)
xii = (/random(), random(), 0.D0 /)
xii(1) = random( 0.D0, 1.D0)
xii(2) = random( 0.D0, 1.D0 - xii(1))
xii(3) = 0.D0
fPsi = self%fPsi(xii)
r = (/DOT_PRODUCT(fPsi, self%x), &
@ -294,9 +296,9 @@ MODULE moduleMesh3DCart
REAL(8):: xii(1:3)
REAL(8), ALLOCATABLE:: fPsi(:)
xii(1) = random(0.D0, 1.D0)
xii(2) = random(0.D0, 1.D0)
xii(3) = random(0.D0, 1.D0)
xii(1) = random( 0.D0, 1.D0)
xii(2) = random( 0.D0, 1.D0 - xii(1))
xii(3) = random( 0.D0, 1.D0 - xii(1) - xii(2))
ALLOCATE(fPsi(1:4))
fPsi = self%fPsi(xii)

4
src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90
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@ -43,7 +43,7 @@ MODULE moduleMeshOutputGmsh2
WRITE(60, "(A)") '$EndNodeData'
WRITE(60, "(A)") '$NodeData'
WRITE(60, "(A)") '1'
WRITE(60, "(A)") '"' // species(i)%obj%name // ' velocity (m/s)"'
WRITE(60, "(A)") '"' // species(i)%obj%name // ' velocity (m s^-1)"'
WRITE(60, *) 1
WRITE(60, *) time
WRITE(60, *) 3
@ -189,7 +189,7 @@ MODULE moduleMeshOutputGmsh2
WRITE(20, "(A)") '$ElementData'
WRITE(20, "(A)") '1'
WRITE(20, "(A)") '"Electric Field (V/m)"'
WRITE(20, "(A)") '"Electric Field (V m^-1)"'
WRITE(20, *) 1
WRITE(20, *) time
WRITE(20, *) 3

12
src/modules/mesh/moduleMesh.f90
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@ -186,15 +186,6 @@ MODULE moduleMesh
END SUBROUTINE initVol_interface
SUBROUTINE scatter_interface(self, part)
USE moduleSpecies
IMPORT:: meshVol
CLASS(meshVol), INTENT(in):: self
CLASS(particle), INTENT(in):: part
END SUBROUTINE scatter_interface
PURE FUNCTION gatherEF_interface(self, xi) RESULT(EF)
IMPORT:: meshVol
CLASS(meshVol), INTENT(in):: self
@ -574,6 +565,7 @@ MODULE moduleMesh
!TODO: try to combine this with the findCell for a regular mesh
!Find the volume in which particle reside in the mesh for collisions
!No boundary interaction taken into account
SUBROUTINE findCellCollMesh(part)
USE moduleSpecies
IMPLICIT NONE
@ -669,7 +661,7 @@ MODULE moduleMesh
DO e=1, self%numVols
vol => self%vols(e)%obj
nPart = vol%listPart_in%amount
!Computes iterations if there is more than one particle in the cell
!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*tauMin/vol%volume

35
src/modules/moduleCollisions.f90
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@ -5,7 +5,7 @@ MODULE moduleCollisions
!Abstract type for collision between two particles
TYPE, ABSTRACT:: collisionBinary
REAL(8):: rMass !Reduced mass
REAL(8):: sMass !Summed mass
REAL(8):: sMassInv !Summed mass
TYPE(table1D):: crossSec !cross section of collision
CONTAINS
PROCEDURE(collideBinary_interface), PASS, DEFERRED:: collide
@ -169,8 +169,8 @@ MODULE moduleCollisions
CALL collision%crossSec%convert(eV2J/(m_ref*v_ref**2), 1.D0/L_ref**2)
!Calculates reduced mass
collision%sMass = mass_i+mass_j
collision%rMass = (mass_i*mass_j)/collision%sMass
collision%sMassInv = 1.D0/(mass_i+mass_j)
collision%rMass = (mass_i*mass_j)*collision%sMassInv
END SUBROUTINE initBinaryElastic
@ -180,6 +180,7 @@ MODULE moduleCollisions
USE moduleSpecies
USE moduleConstParam
USE moduleRandom
USE moduleMath
IMPLICIT NONE
CLASS(collisionBinaryElastic), INTENT(in):: self
@ -193,7 +194,7 @@ MODULE moduleCollisions
REAL(8), DIMENSION(1:3):: vCM
REAL(8):: vp(1:3)
vRel = SUM(DABS(part_i%v-part_j%v)) !TODO make function of norm1
vRel = NORM2(part_i%v-part_j%v)
eRel = self%rMass*vRel**2
sigmaVrel = self%crossSec%get(eRel)*vRel
sigmaVrelMaxNew = sigmaVrelMaxNew + sigmaVrel
@ -205,8 +206,8 @@ MODULE moduleCollisions
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
part_i%v = vCM + m_j*vp*self%sMassInv
part_j%v = vCM - m_i*vp*self%sMassInv
END IF
@ -238,8 +239,8 @@ MODULE moduleCollisions
CALL collision%crossSec%convert(eV2J/(m_ref*v_ref**2), 1.D0/L_ref**2)
!Calculates reduced mass
collision%sMass = mass_i+mass_j
collision%rMass = (mass_i*mass_j)/collision%sMass
collision%sMassInv = 1.D0/(mass_i+mass_j)
collision%rMass = (mass_i*mass_j)*collision%sMassInv
!Specific parameters for ionization collision
SELECT TYPE(collision)
@ -269,6 +270,7 @@ MODULE moduleCollisions
USE moduleErrors
USE moduleList
USE moduleRandom
USE moduleMath
USE OMP_LIB
IMPLICIT NONE
@ -283,7 +285,7 @@ MODULE moduleCollisions
REAL(8), DIMENSION(1:3):: vp_e, vp_n
!eRel (in units of [m][L]^2[t]^-2
vRel = SUM(DABS(part_i%v-part_j%v)) !TODO make function of norm1
vRel = NORM2(part_i%v-part_j%v)
eRel = self%rMass*vRel**2
!Relative energy must be higher than threshold
IF (eRel > self%eThreshold) THEN
@ -370,8 +372,8 @@ MODULE moduleCollisions
CALL collision%crossSec%convert(eV2J/(m_ref*v_ref**2), 1.D0/L_ref**2)
!Calculates reduced mass
collision%sMass = mass_i+mass_j
collision%rMass = (mass_i*mass_j)/collision%sMass
collision%sMassInv = 1.D0/(mass_i+mass_j)
collision%rMass = (mass_i*mass_j)*collision%sMassInv
!Specific parameters for ionization collision
SELECT TYPE(collision)
@ -401,7 +403,7 @@ MODULE moduleCollisions
USE moduleErrors
USE moduleList
USE moduleRandom
USE OMP_LIB
USE moduleMath
IMPLICIT NONE
CLASS(collisionBinaryRecombination), INTENT(in):: self
@ -414,7 +416,7 @@ MODULE moduleCollisions
REAL(8), DIMENSION(1:3):: vp_i
!eRel (in units of [m][L]^2[t]^-2
vRel = SUM(DABS(part_i%v-part_j%v)) !TODO make function of norm1
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
@ -476,8 +478,8 @@ MODULE moduleCollisions
CALL collision%crossSec%convert(eV2J/(m_ref*v_ref**2), 1.D0/L_ref**2)
!Calculates reduced mass
collision%sMass = mass_i+mass_j
collision%rMass = (mass_i*mass_j)/collision%sMass
collision%sMassInv = 1.D0/(mass_i+mass_j)
collision%rMass = (mass_i*mass_j)/collision%sMassInv
END SUBROUTINE initBinaryChargeExchange
@ -485,6 +487,7 @@ MODULE moduleCollisions
part_i, part_j)
USE moduleSpecies
USE moduleRandom
USE moduleMath
IMPLICIT NONE
CLASS(collisionBinaryChargeExchange), INTENT(in):: self
@ -496,7 +499,7 @@ MODULE moduleCollisions
REAL(8):: eRel !relative energy
!eRel (in units of [m][L]^2[t]^-2
vRel = SUM(DABS(part_i%v-part_j%v)) !TODO make function of norm1
vRel = NORM2(part_i%v-part_j%v)
eRel = self%rMass*vRel**2
sigmaVrel = self%crossSec%get(eRel)*vRel
sigmaVrelMaxNew = sigmaVrelMaxNew + sigmaVrel