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Improve to collisions

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Improvement into the collision model to better compute number of
particles collisions.
This commit is contained in:
Jorge Gonzalez 2022-04-23 18:57:27 +02:00
commit 78a97ed7a0
12 changed files with 227 additions and 219 deletions
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2
src/modules/mesh/0D/moduleMesh0D.f90
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@ -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)

2
src/modules/mesh/1DCart/moduleMesh1DCart.f90
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@ -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)

2
src/modules/mesh/1DRad/moduleMesh1DRad.f90
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@ -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)

4
src/modules/mesh/2DCart/moduleMesh2DCart.f90
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@ -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)

4
src/modules/mesh/2DCyl/moduleMesh2DCyl.f90
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@ -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)

2
src/modules/mesh/3DCart/moduleMesh3DCart.f90
View file

@ -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)

74
src/modules/mesh/moduleMesh.f90
View file

@ -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 +701,45 @@ 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
!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)
sigmaVrelMaxNew = 0.D0
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
CALL interactionMatrix(ij)%collisions(k)%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
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
@ -716,6 +747,17 @@ MODULE moduleMesh
END IF
!Deallocate arrays for next collision
DEALLOCATE(sigmaVrel, probabilityColl)
END IF
END DO
END IF
vol%nColl = realCollisions
END DO
!$OMP END DO

144
src/modules/moduleCollisions.f90
View file

@ -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
@ -85,6 +84,7 @@ 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
@ -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
@ -187,21 +209,12 @@ 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
@ -209,16 +222,14 @@ MODULE moduleCollisions
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
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
@ -278,24 +283,17 @@ 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
@ -345,13 +343,11 @@ MODULE moduleCollisions
END IF
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
@ -410,22 +400,12 @@ 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
@ -456,13 +436,11 @@ MODULE moduleCollisions
END SELECT
END IF
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)
@ -480,33 +457,18 @@ 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
@ -529,8 +491,6 @@ MODULE moduleCollisions
END SELECT
END IF
END SUBROUTINE collideBinaryChargeExchange
END MODULE moduleCollisions

18
src/modules/moduleInput.f90
View file

@ -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')

10
src/modules/moduleMath.f90
View file

@ -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

2
src/modules/moduleRefParam.f90
View file

@ -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

2
src/modules/moduleSolver.f90
View file

@ -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