JGonzalez/fpakc
1
0
Fork 0
Code Issues Pull requests Projects Releases Packages Wiki Activity Actions

Merge branch 'feature/collisionPairs' into feature/electromagnetic

Browse source 
Merging branches and fixing a number of important issues:

- Initial particles were not being assigned to the list of particles.

- List of particles was being erased every iteration, even if species
  was not pushed.

These caused issues with the calculation of collisions when a species
was frozen.

Now, things should work properly. All particles are properly added to
the volume list and the list is erased ONLY if the species has been
updated.

I hope that collisions are now properly accounted for per species pair.
This commit is contained in:
Jorge Gonzalez 2022-04-23 20:48:34 +02:00
commit cbb5fe0bf2
12 changed files with 179 additions and 81 deletions
Download patch file Download diff file Expand all files Collapse all files

4
src/modules/mesh/0D/moduleMesh0D.f90
View file

@ -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)

3
src/modules/mesh/1DCart/moduleMesh1DCart.f90
View file

@ -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

3
src/modules/mesh/1DRad/moduleMesh1DRad.f90
View file

@ -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

6
src/modules/mesh/2DCart/moduleMesh2DCart.f90
View file

@ -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

6
src/modules/mesh/2DCyl/moduleMesh2DCyl.f90
View file

@ -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

3
src/modules/mesh/3DCart/moduleMesh3DCart.f90
View file

@ -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

116
src/modules/mesh/moduleMesh.f90
View file

@ -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.
@ -660,13 +664,12 @@ 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(:)
INTEGER:: i, j !random particle indexes
TYPE(pointerArray), ALLOCATABLE:: partTemp_i(:), partTemp_j(:)
TYPE(particle), POINTER:: part_i, part_j
INTEGER:: n !collision
INTEGER:: ij, k
INTEGER:: n, c
REAL(8):: vRel, eRel
REAL(8):: sigmaVrelTotal
REAL(8), ALLOCATABLE:: sigmaVrel(:), probabilityColl(:)
@ -681,43 +684,69 @@ MODULE moduleMesh
realCollisions = 0
vol => self%vols(e)%obj
nPart = vol%listPart_in%amount
!Resets the number of collisions
!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
!Number of particles per species in the collision pair
nPart_i = vol%listPart_in(i)%amount
nPart_j = vol%listPart_in(j)%amount
IF (nPart_i > 0 .AND. nPart_j > 0) THEN
!Total number of particles for the collision pair
nPart = nPart_i + nPart_j
!Resets the number of collisions in the cell
vol%nColl = 0
!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
!Probability of collision for pair i-j
pMax = (vol%totalWeight(i) + vol%totalWeight(j))*vol%sigmaVrelMax*tauColl/vol%volume
!Number of collisions in the cell
vol%nColl = NINT(REAL(nPart)*pMax*0.5D0)
IF (vol%nColl > 0) THEN
!Converts the list of particles to an array for easy access
partTemp = vol%listPart_in%convert2Array()
IF (vol%nColl > 0) THEN
partTemp_i = vol%listPart_in(i)%convert2Array()
partTemp_j = vol%listPart_in(j)%convert2Array()
END IF
DO n = 1, vol%nColl
!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)
!Select random particles
part_i => NULL()
part_j => NULL()
rnd = random(1, nPart_i)
part_i => partTemp_i(rnd)%part
rnd = random(1, nPart_j)
part_j => partTemp_j(rnd)%part
!If they are the same particle, skip
!TODO: Maybe try to improve this
IF (ASSOCIATED(part_i, part_j)) THEN
CYCLE
END IF
!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?
IF (part_i%species%n /= i .OR. &
part_j%species%n /= j) THEN
CYCLE
END IF
IF (interactionMatrix(ij)%amount > 0) THEN
!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(ij)%rMass*vRel**2
CALL interactionMatrix(ij)%getSigmaVrel(vRel, eRel, sigmaVrelTotal, sigmaVrel)
eRel = interactionMatrix(k)%rMass*vRel**2
CALL interactionMatrix(k)%getSigmaVrel(vRel, eRel, sigmaVrelTotal, sigmaVrel)
!Update maximum sigma*v_rel
IF (sigmaVrelTotal > vol%sigmaVrelMax) THEN
@ -725,22 +754,25 @@ MODULE moduleMesh
END IF
ALLOCATE(probabilityColl(0:interactionMatrix(ij)%amount))
ALLOCATE(probabilityColl(0:interactionMatrix(k)%amount))
probabilityColl(0) = 0.0
probabilityColl(1:interactionMatrix(ij)%amount) = sigmaVrel/vol%sigmaVrelMax
probabilityColl(1:interactionMatrix(k)%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 the random number is below the total probability of collision, collide particles
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)
DO c = 1, interactionMatrix(k)%amount
IF (SUM(probabilityColl(0:c-1)) + rnd <= probabilityColl(c)) THEN
CALL interactionMatrix(k)%collisions(c)%obj%collide(part_i, part_j, vRel)
realCollisions = realCollisions + 1
!A collision has ocurred, exit the loop
EXIT
END IF
END DO
@ -750,12 +782,14 @@ MODULE moduleMesh
!Deallocate arrays for next collision
DEALLOCATE(sigmaVrel, probabilityColl)
END IF
END DO
END IF
END IF
END DO
vol%nColl = realCollisions
END DO

25
src/modules/moduleCollisions.f90
View file

@ -67,6 +67,8 @@ MODULE moduleCollisions
!Type for interaction matrix
TYPE:: interactionsBinary
CLASS(speciesGeneric), POINTER:: sp_i
CLASS(speciesGeneric), POINTER:: sp_j
INTEGER:: amount
REAL(8):: rMass !Reduced mass
TYPE(collisionCont), ALLOCATABLE:: collisions(:)
@ -142,16 +144,24 @@ MODULE moduleCollisions
END FUNCTION interactionIndex
!Inits the binary interaction
SUBROUTINE initInteractionBinary(self, amount, mass_i, mass_j)
SUBROUTINE initInteractionBinary(self, amount, i, j)
USE moduleMath
USE moduleSpecies
IMPLICIT NONE
CLASS(interactionsBinary), INTENT(inout):: self
INTEGER, INTENT(in):: amount
REAL(8), INTENT(in):: mass_i, mass_j
INTEGER, INTENT(in):: i, j
REAL(8):: mass_i, mass_j
self%sp_i => species(i)%obj
self%sp_j => species(j)%obj
self%amount = amount
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))
@ -165,14 +175,14 @@ MODULE moduleCollisions
REAL(8), INTENT(in):: vRel, eRel
REAL(8), INTENT(out):: sigmaVrelTotal
REAL(8), INTENT(out), ALLOCATABLE:: sigmaVrel(:)
INTEGER:: k
INTEGER:: c
sigmaVrelTotal = 0.D0
ALLOCATE(sigmaVrel(1:self%amount))
DO k = 1, self%amount
sigmaVrel(k) = self%collisions(k)%obj%crossSec%get(eRel)*vRel
DO c = 1, self%amount
sigmaVrel(c) = self%collisions(c)%obj%crossSec%get(eRel)*vRel
END DO
sigmaVrelTotal = SUM(sigmaVrel)
@ -222,8 +232,13 @@ 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

11
src/modules/moduleInput.f90
View file

@ -333,6 +333,7 @@ MODULE moduleInput
!Mean velocity and temperature at particle position
REAL(8):: velocityXi(1:3), temperatureXi
INTEGER:: nNewPart = 0.D0
CLASS(meshVol), POINTER:: vol
TYPE(particle), POINTER:: partNew
REAL(8):: vTh
TYPE(lNode), POINTER:: partCurr, partNext
@ -356,7 +357,6 @@ MODULE moduleInput
!Density at centroid of cell
nodes = mesh%vols(e)%obj%getNodes()
nNodes = SIZE(nodes)
!TODO: Procedure to obtain centroid from element (also for printing Electric Field)
fPsi = mesh%vols(e)%obj%fPsi((/0.D0, 0.D0, 0.D0/))
ALLOCATE(source(1:nNodes))
DO j = 1, nNodes
@ -430,6 +430,13 @@ MODULE moduleInput
!Assign particle to temporal list of particles
CALL partInitial%add(partNew)
!Assign particle to list in volume
vol => meshforMCC%vols(partNew%volColl)%obj
CALL OMP_SET_LOCK(vol%lock)
CALL vol%listPart_in(sp)%add(partNew)
vol%totalWeight(sp) = vol%totalWeight(sp) + partNew%weight
CALL OMP_UNSET_LOCK(vol%lock)
END DO
DEALLOCATE(source)
@ -685,7 +692,7 @@ 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, species(pt_i)%obj%m, species(pt_j)%obj%m)
CALL interactionMatrix(ij)%init(nCollisions, pt_i, pt_j)
DO k = 1, nCollisions
WRITE (kString, '(I2)') k

1
src/modules/moduleList.f90
View file

@ -71,6 +71,7 @@ MODULE moduleList
DO n=1, self%amount
!Point element in array to element in list
partArray(n)%part => tempNode%part
!Go to next element
tempNode => tempNode%next

28
src/modules/moduleSolver.f90
View file

@ -457,6 +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
@ -540,18 +541,30 @@ MODULE moduleSolver
END DO
!$OMP SECTION
!Erase the list of particles inside the cell
!Erase the list of particles inside the cell if particles have been pushed
DO s = 1, nSpecies
DO e = 1, mesh%numVols
mesh%vols(e)%obj%totalWeight = 0.D0
CALL mesh%vols(e)%obj%listPart_in%erase()
IF (solver%pusher(s)%pushSpecies) THEN
CALL mesh%vols(e)%obj%listPart_in(s)%erase()
mesh%vols(e)%obj%totalWeight(s) = 0.D0
END IF
END DO
END DO
!$OMP SECTION
!Erase the list of particles inside the cell in coll mesh
DO s = 1, nSpecies
DO e = 1, meshColl%numVols
meshColl%vols(e)%obj%totalWeight = 0.D0
CALL meshColl%vols(e)%obj%listPart_in%erase()
IF (solver%pusher(s)%pushSpecies) THEN
CALL meshColl%vols(e)%obj%listPart_in(s)%erase()
meshColl%vols(e)%obj%totalWeight(s) = 0.D0
END IF
END DO
END DO
@ -685,6 +698,7 @@ MODULE moduleSolver
REAL(8):: newWeight
TYPE(particle), POINTER:: newPart
INTEGER:: p
INTEGER:: sp
newWeight = part%weight / nSplit
@ -697,12 +711,14 @@ 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

4
src/modules/moduleSpecies.f90
View file

@ -91,7 +91,7 @@ MODULE moduleSpecies
part%species => self%ion
ELSE
CALL criticalError('No ion defined for species' // self%name, 'ionizeNeutral')
CALL criticalError('No ion defined for species :' // self%name, 'ionizeNeutral')
END IF
@ -109,7 +109,7 @@ MODULE moduleSpecies
part%species => self%ion
ELSE
CALL criticalError('No ion defined for species' // self%name, 'ionizeCharged')
CALL criticalError('No ion defined for species :' // self%name, 'ionizeCharged')
END IF