Jorge Gonzalez
9af3429395
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.
533 lines
17 KiB
Fortran
533 lines
17 KiB
Fortran
MODULE moduleCollisions
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USE moduleSpecies
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USE moduleTable
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!Abstract type for collision between two particles
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TYPE, ABSTRACT:: collisionBinary
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REAL(8):: rMass !Reduced mass
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REAL(8):: sMassInv !Summed mass
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TYPE(table1D):: crossSec !cross section of collision
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CONTAINS
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PROCEDURE(collideBinary_interface), PASS, DEFERRED:: collide
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END TYPE collisionBinary
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ABSTRACT INTERFACE
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SUBROUTINE collideBinary_interface(self, sigmaVRelMax, sigmaVrelMaxNew, part_i, part_j)
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USE moduleSpecies
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IMPORT:: collisionBinary
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CLASS(collisionBinary), INTENT(in):: self
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REAL(8), INTENT(in):: sigmaVrelMax
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REAL(8), INTENT(inout):: sigmaVrelMaxNew
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TYPE(particle), INTENT(inout), TARGET:: part_i, part_j
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END SUBROUTINE
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END INTERFACE
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!Container for binary collisions
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TYPE:: collisionCont
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CLASS(collisionBinary), ALLOCATABLE:: obj
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END TYPE collisionCont
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!Binary elastic interaction
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TYPE, EXTENDS(collisionBinary):: collisionBinaryElastic
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CONTAINS
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PROCEDURE, PASS:: collide => collideBinaryElastic
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END TYPE collisionBinaryElastic
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!Ionization binary interaction
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TYPE, EXTENDS(collisionBinary):: collisionBinaryIonization
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REAL(8):: eThreshold !Minimum energy (non-dimensional units) required for ionization
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REAL(8):: deltaV !Change in velocity due to exchange of eThreshold
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CLASS(speciesCharged), POINTER:: electron !Pointer to species considerer as electrons
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CONTAINS
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PROCEDURE, PASS:: collide => collideBinaryIonization
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END TYPE collisionBinaryIonization
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TYPE, EXTENDS(collisionBinary):: collisionBinaryRecombination
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REAL(8):: eBinding !binding energy of free electron in recombining ion
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REAL(8):: deltaV !Change in velocity due to energy exchange
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CLASS(speciesCharged), POINTER:: electron !Pointer to species considerer as electrons
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CONTAINS
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PROCEDURE, PASS:: collide => collideBinaryRecombination
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END TYPE collisionBinaryRecombination
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!Resonant charge-exchange
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TYPE, EXTENDS(collisionBinary):: collisionBinaryChargeExchange
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CONTAINS
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PROCEDURE, PASS:: collide => collideBinaryChargeExchange
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END TYPE collisionBinaryChargeExchange
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!Type for interaction matrix
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TYPE:: interactionsBinary
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INTEGER:: amount
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TYPE(collisionCont), ALLOCATABLE:: collisions(:)
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CONTAINS
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PROCEDURE, PASS:: init => initInteractionBinary
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END TYPE interactionsBinary
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!Collision 'Matrix'. A symmetric 2D matrix put into a 1D array to save memory
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TYPE(interactionsBinary), ALLOCATABLE, TARGET:: interactionMatrix(:)
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!Folder for collision cross section tables
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CHARACTER(:), ALLOCATABLE:: pathCollisions
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CONTAINS
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!Velocity of center of mass of two particles
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PURE FUNCTION velocityCM(m_i, v_i, m_j, v_j) RESULT(vCM)
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IMPLICIT NONE
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REAL(8), INTENT(in):: m_i, m_j
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REAL(8), INTENT(in), DIMENSION(1:3):: v_i, v_j
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REAL(8):: vCM(1:3)
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vCM = (m_i*v_i + m_j*v_j)/(m_i + m_j)
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END FUNCTION velocityCM
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!Random direction for hard sphere collisions
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FUNCTION randomDirectionVHS() RESULT(n)
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USE moduleConstParam
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USE moduleRandom
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IMPLICIT NONE
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REAL(8):: n(1:3)
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REAL(8):: cosXii, sinXii, eps
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cosXii = random(-1.D0, 1.D0)
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sinXii = DSQRT(1.D0 - cosXii**2)
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eps = random(0.D0, PI2)
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n = (/ cosXii, sinXii*DCOS(eps), sinXii*DSIN(eps) /)
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END FUNCTION randomDirectionVHS
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!Inits the interaction matrix
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SUBROUTINE initInteractionMatrix(interactionMatrix)
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USE moduleSpecies
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IMPLICIT NONE
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TYPE(interactionsBinary), INTENT(inout), ALLOCATABLE:: interactionMatrix(:)
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INTEGER:: nInteractions
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nInteractions = (nSpecies*(nSpecies+1))/2
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ALLOCATE(interactionMatrix(1:nInteractions))
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END SUBROUTINE initInteractionMatrix
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!Gets the interaction index from the collision matrix from index i,j
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FUNCTION interactionIndex(i,j) RESULT(k)
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INTEGER:: i, j
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INTEGER:: p
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INTEGER:: k
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k = i + j
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p = (k + ABS(i - j))/2
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k = k + (p*(p-3))/2
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END FUNCTION interactionIndex
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!Inits the binary interaction
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SUBROUTINE initInteractionBinary(self, amount)
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IMPLICIT NONE
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CLASS(interactionsBinary), INTENT(inout):: self
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INTEGER, INTENT(in):: amount
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self%amount = amount
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ALLOCATE(self%collisions(1:self%amount))
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END SUBROUTINE initInteractionBinary
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!ELASTIC COLLISIONS
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!Inits binary elastic collision
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SUBROUTINE initBinaryElastic(collision, crossSectionFilename, mass_i, mass_j)
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USE moduleTable
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USE moduleRefParam
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USE moduleConstParam
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IMPLICIT NONE
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CLASS(collisionBinary), INTENT(out), ALLOCATABLE:: collision
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CHARACTER(:), ALLOCATABLE, INTENT(in):: crossSectionFilename
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REAL(8), INTENT(in):: mass_i, mass_j
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ALLOCATE(collisionBinaryElastic:: collision)
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!Reads data from file
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CALL collision%crossSec%init(crossSectionFilename)
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!Convert to no-dimensional units
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CALL collision%crossSec%convert(eV2J/(m_ref*v_ref**2), 1.D0/L_ref**2)
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!Calculates reduced mass
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collision%sMassInv = 1.D0/(mass_i+mass_j)
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collision%rMass = (mass_i*mass_j)*collision%sMassInv
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END SUBROUTINE initBinaryElastic
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!Binary elastic process
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SUBROUTINE collideBinaryElastic(self, sigmaVrelMax, sigmaVrelMaxNew, &
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part_i, part_j)
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USE moduleSpecies
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USE moduleConstParam
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USE moduleRandom
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USE moduleMath
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IMPLICIT NONE
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CLASS(collisionBinaryElastic), INTENT(in):: self
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REAL(8), INTENT(in):: sigmaVrelMax
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REAL(8), INTENT(inout):: sigmaVrelMaxNew
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TYPE(particle), INTENT(inout), TARGET:: part_i, part_j
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REAL(8):: sigmaVrel
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REAL(8):: vRel !relative velocity
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REAL(8):: eRel !relative energy
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REAL(8):: m_i, m_j
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REAL(8), DIMENSION(1:3):: vCM
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REAL(8):: vp(1:3)
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vRel = NORM2(part_i%v-part_j%v)
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eRel = self%rMass*vRel**2
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sigmaVrel = self%crossSec%get(eRel)*vRel
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sigmaVrelMaxNew = sigmaVrelMaxNew + sigmaVrel
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IF (sigmaVrelMaxNew/sigmaVrelMax > random()) THEN
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m_i = part_i%species%m
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m_j = part_j%species%m
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!Applies the collision
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vCM = velocityCM(m_i, part_i%v, m_j, part_j%v)
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vp = vRel*randomDirectionVHS()
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!Assign velocities to particles
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part_i%v = vCM + m_j*vp*self%sMassInv
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part_j%v = vCM - m_i*vp*self%sMassInv
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END IF
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END SUBROUTINE collideBinaryElastic
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!ELECTRON IMPACT IONIZATION
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!Inits electron impact ionization
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SUBROUTINE initBinaryIonization(collision, crossSectionFilename, energyThreshold, mass_i, mass_j, electron)
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USE moduleTable
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USE moduleRefParam
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USE moduleConstParam
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USE moduleSpecies
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USE moduleErrors
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IMPLICIT NONE
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CLASS(collisionBinary), INTENT(out), ALLOCATABLE:: collision
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CHARACTER(:), ALLOCATABLE, INTENT(in):: crossSectionFilename
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REAL(8), INTENT(in):: energyThreshold
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REAL(8), INTENT(in):: mass_i, mass_j
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CHARACTER(:), ALLOCATABLE, INTENT(in):: electron
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INTEGER:: electronIndex
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ALLOCATE(collisionBinaryIonization:: collision)
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!Reads data from file
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CALL collision%crossSec%init(crossSectionFilename)
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!Convert to no-dimensional units
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CALL collision%crossSec%convert(eV2J/(m_ref*v_ref**2), 1.D0/L_ref**2)
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!Calculates reduced mass
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collision%sMassInv = 1.D0/(mass_i+mass_j)
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collision%rMass = (mass_i*mass_j)*collision%sMassInv
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!Specific parameters for ionization collision
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SELECT TYPE(collision)
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TYPE IS(collisionBinaryIonization)
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!Assign the energy threshold
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!Input energy is in eV. Convert to J with ev2J and then to
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!non-dimensional units.
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collision%eThreshold = energyThreshold*eV2J/(m_ref*v_ref**2)
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electronIndex = speciesName2Index(electron)
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SELECT TYPE(sp => species(electronIndex)%obj)
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TYPE IS(speciesCharged)
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collision%electron => sp
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CLASS DEFAULT
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CALL criticalError("Species " // sp%name // " chosen for ionization is not a charged species", 'initBinaryIonization')
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END SELECT
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END SELECT
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END SUBROUTINE initBinaryIonization
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!Binary electron impact ionization process
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SUBROUTINE collideBinaryIonization(self, sigmaVrelMax, sigmaVrelMaxNew, &
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part_i, part_j)
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USE moduleSpecies
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USE moduleErrors
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USE moduleList
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USE moduleRandom
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USE moduleMath
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USE OMP_LIB
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IMPLICIT NONE
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CLASS(collisionBinaryIonization), INTENT(in):: self
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REAL(8), INTENT(in):: sigmaVrelMax
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REAL(8), INTENT(inout):: sigmaVrelMaxNew
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TYPE(particle), INTENT(inout), TARGET:: part_i, part_j
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TYPE(particle), POINTER:: electron => NULL(), neutral => NULL()
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TYPE(particle), POINTER:: newElectron
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REAL(8):: vRel, eRel
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REAL(8):: sigmaVrel
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REAL(8), DIMENSION(1:3):: vp_e, vp_n
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!eRel (in units of [m][L]^2[t]^-2
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vRel = NORM2(part_i%v-part_j%v)
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eRel = self%rMass*vRel**2
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!Relative energy must be higher than threshold
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IF (eRel > self%eThreshold) THEN
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sigmaVrel = self%crossSec%get(eRel)*vRel
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sigmaVrelMaxNew = sigmaVrelMaxNew + sigmaVrel
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IF (sigmaVrelMaxNew/sigmaVrelMax > random()) THEN
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!Find which particle is the ionizing electron
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IF (ASSOCIATED(part_i%species, self%electron)) THEN
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electron => part_i
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neutral => part_j
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ELSEIF(ASSOCIATED(part_j%species, self%electron)) THEN
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electron => part_j
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neutral => part_i
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ELSE
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CALL criticalError("No matching between input particles and ionizing species", 'collideBinaryIonization')
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END IF
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!Exchange energy between
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vp_e = electron%v*(1.D0 - self%deltaV/NORM2(electron%v))
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vp_n = neutral%v* (1.D0 + self%deltaV/NORM2(neutral%v) )
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!Changes velocity of impacting electron
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electron%v = vp_e
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!Creates a new electron from ionization
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ALLOCATE(newElectron)
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newElectron%species => electron%species
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newElectron%v = vp_n
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newElectron%r = neutral%r
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newElectron%xi = neutral%xi
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newElectron%n_in = .TRUE.
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newElectron%vol = neutral%vol
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newElectron%volColl = neutral%volColl
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newElectron%weight = neutral%weight
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newElectron%qm = electron%qm
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!Ionize neutral particle
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SELECT TYPE(sp => neutral%species)
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TYPE IS(speciesNeutral)
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CALL sp%ionize(neutral)
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CLASS DEFAULT
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CALL criticalError(sp%name // " is not a neutral", 'collideBinaryIonization')
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END SELECT
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!Adds new electron to list of new particles from collisions
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CALL OMP_SET_LOCK(lockCollisions)
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CALL partCollisions%add(newElectron)
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CALL OMP_UNSET_LOCK(lockCollisions)
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END IF
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END IF
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END SUBROUTINE collideBinaryIonization
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!ELECTRON ION RESONANT RECOMBINATION
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!Inits electron ion recombination
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SUBROUTINE initBinaryRecombination(collision, crossSectionFilename, energyBinding, mass_i, mass_j, electron)
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USE moduleTable
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USE moduleRefParam
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USE moduleConstParam
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USE moduleSpecies
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USE moduleErrors
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IMPLICIT NONE
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CLASS(collisionBinary), INTENT(out), ALLOCATABLE:: collision
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CHARACTER(:), ALLOCATABLE, INTENT(in):: crossSectionFilename
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REAL(8), INTENT(in):: energyBinding
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REAL(8), INTENT(in):: mass_i, mass_j
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CHARACTER(:), ALLOCATABLE, INTENT(in):: electron
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INTEGER:: electronIndex
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ALLOCATE(collisionBinaryRecombination:: collision)
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!Reads data from file
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CALL collision%crossSec%init(crossSectionFilename)
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!Convert to no-dimensional units
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CALL collision%crossSec%convert(eV2J/(m_ref*v_ref**2), 1.D0/L_ref**2)
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!Calculates reduced mass
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collision%sMassInv = 1.D0/(mass_i+mass_j)
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collision%rMass = (mass_i*mass_j)*collision%sMassInv
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!Specific parameters for ionization collision
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SELECT TYPE(collision)
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TYPE IS(collisionBinaryRecombination)
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!Assign the energy threshold
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!Input energy is in eV. Convert to J with ev2J and then to
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!non-dimensional units.
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collision%eBinding = energyBinding*eV2J/(m_ref*v_ref**2)
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electronIndex = speciesName2Index(electron)
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SELECT TYPE(sp => species(electronIndex)%obj)
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TYPE IS(speciesCharged)
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collision%electron => sp
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CLASS DEFAULT
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CALL criticalError("Species " // sp%name // " chosen for ionization is not a charged species", 'initBinaryIonization')
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END SELECT
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END SELECT
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END SUBROUTINE initBinaryRecombination
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!Binary electron impact ionization process
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SUBROUTINE collideBinaryRecombination(self, sigmaVrelMax, sigmaVrelMaxNew, &
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part_i, part_j)
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USE moduleSpecies
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USE moduleErrors
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USE moduleList
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USE moduleRandom
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USE moduleMath
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IMPLICIT NONE
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CLASS(collisionBinaryRecombination), INTENT(in):: self
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REAL(8), INTENT(in):: sigmaVrelMax
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REAL(8), INTENT(inout):: sigmaVrelMaxNew
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TYPE(particle), INTENT(inout), TARGET:: part_i, part_j
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TYPE(particle), POINTER:: electron => NULL(), ion => NULL()
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REAL(8):: vRel, eRel
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REAL(8):: sigmaVrel
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REAL(8), DIMENSION(1:3):: vp_i
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!eRel (in units of [m][L]^2[t]^-2
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vRel = NORM2(part_i%v-part_j%v)
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eRel = self%rMass*vRel**2
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!Relative energy must be higher than threshold
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sigmaVrel = self%crossSec%get(eRel)*vRel
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sigmaVrelMaxNew = sigmaVrelMaxNew + sigmaVrel
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IF (sigmaVrelMaxNew/sigmaVrelMax > random()) THEN
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!Find which particle is the ionizing electron
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IF (ASSOCIATED(part_i%species, self%electron)) THEN
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electron => part_i
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ion => part_j
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ELSEIF(ASSOCIATED(part_j%species, self%electron)) THEN
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electron => part_j
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ion => part_i
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ELSE
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CALL criticalError("No matching between input particles and ionizing species", 'collideBinaryIonization')
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END IF
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!Excess energy
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!TODO: This energy should be transformed into photons
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vp_i = ion%v* (1.D0 - (vRel + self%deltaV)/NORM2(ion%v))
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!Remove electron from simulation
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electron%n_in = .FALSE.
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!Neutralize ion particle
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SELECT TYPE(sp => ion%species)
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TYPE IS(speciesCharged)
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CALL sp%neutralize(ion)
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CLASS DEFAULT
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CALL criticalError(sp%name // " is not a charge", 'collideBinaryRecombination')
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END SELECT
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END IF
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END SUBROUTINE collideBinaryRecombination
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!RESONANT CHARGE EXCHANGE
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!Inits resonant charge exchange
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SUBROUTINE initBinaryChargeExchange(collision, crossSectionFilename, mass_i, mass_j)
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USE moduleTable
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USE moduleRefParam
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USE moduleConstParam
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IMPLICIT NONE
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CLASS(collisionBinary), INTENT(out), ALLOCATABLE:: collision
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CHARACTER(:), ALLOCATABLE, INTENT(in):: crossSectionFilename
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REAL(8), INTENT(in):: mass_i, mass_j
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ALLOCATE(collisionBinaryChargeExchange:: collision)
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!Reads data from file
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CALL collision%crossSec%init(crossSectionFilename)
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!Convert to no-dimensional units
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CALL collision%crossSec%convert(eV2J/(m_ref*v_ref**2), 1.D0/L_ref**2)
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!Calculates reduced mass
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collision%sMassInv = 1.D0/(mass_i+mass_j)
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collision%rMass = (mass_i*mass_j)/collision%sMassInv
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END SUBROUTINE initBinaryChargeExchange
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SUBROUTINE collideBinaryChargeExchange(self, sigmaVrelMax, sigmaVrelMaxNew, &
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part_i, part_j)
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USE moduleSpecies
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USE moduleRandom
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USE moduleMath
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IMPLICIT NONE
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CLASS(collisionBinaryChargeExchange), INTENT(in):: self
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REAL(8), INTENT(in):: sigmaVrelMax
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REAL(8), INTENT(inout):: sigmaVrelMaxNew
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TYPE(particle), INTENT(inout), TARGET:: part_i, part_j
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REAL(8):: sigmaVrel
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REAL(8):: vRel !relative velocity
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REAL(8):: eRel !relative energy
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!eRel (in units of [m][L]^2[t]^-2
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vRel = NORM2(part_i%v-part_j%v)
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eRel = self%rMass*vRel**2
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sigmaVrel = self%crossSec%get(eRel)*vRel
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sigmaVrelMaxNew = sigmaVrelMaxNew + sigmaVrel
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IF (sigmaVrelMaxNew/sigmaVrelMax > random()) THEN
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SELECT TYPE(sp => part_i%species)
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TYPE IS (speciesNeutral)
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!Species i is neutral, ionize particle i
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CALL sp%ionize(part_i)
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TYPE IS (speciesCharged)
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!Species i is charged, neutralize particle i
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CALL sp%neutralize(part_i)
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END SELECT
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|
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SELECT TYPE(sp => part_j%species)
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TYPE IS (speciesNeutral)
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!Species j is neutral, ionize particle j
|
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CALL sp%ionize(part_j)
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|
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TYPE IS (speciesCharged)
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!Species j is charged, neutralize particle j
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CALL sp%neutralize(part_j)
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|
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END SELECT
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END IF
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END SUBROUTINE collideBinaryChargeExchange
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END MODULE moduleCollisions
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