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Boundary ionization now outputs the number of ionization events during the iteration

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This commit is contained in:
Jorge Gonzalez 2026-03-12 12:55:08 +01:00
commit ab7cf76be6
3 changed files with 229 additions and 166 deletions
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1
runs/ALPHIE_Grid/inputIonization_0.10mA.json
View file

@ -5,6 +5,7 @@
"cpuTime": false,
"numColl": false,
"EMField": true,
"boundariesParticle": true,
"folder": "ionization_0.10mA"
},
"geometry": {

20
src/modules/mesh/moduleMesh.f90
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@ -694,7 +694,7 @@ MODULE moduleMesh
use moduleSpecies
import boundaryParticleGeneric, meshEdge
class(boundaryParticleGeneric), intent(in):: self
class(boundaryParticleGeneric), intent(inout):: self
class(meshEdge), intent(inout):: edge
class(particle), intent(inout):: part
@ -712,7 +712,7 @@ MODULE moduleMesh
subroutine printParticle_interface(self, fileID)
import boundaryParticleGeneric
class(boundaryParticleGeneric), intent(in):: self
class(boundaryParticleGeneric), intent(inout):: self
integer, intent(in):: fileID
end subroutine printParticle_interface
@ -765,6 +765,8 @@ MODULE moduleMesh
REAL(8):: effectiveTime
REAL(8):: eThreshold
REAL(8):: deltaV
integer:: tally
integer(KIND=OMP_LOCK_KIND):: tally_lock
CONTAINS
procedure, pass:: apply => ionization
@ -785,7 +787,7 @@ MODULE moduleMesh
module subroutine reflection(self, edge, part)
use moduleSpecies
class(boundaryReflection), intent(in):: self
class(boundaryReflection), intent(inout):: self
class(meshEdge), intent(inout):: edge
class(particle), intent(inout):: part
@ -794,7 +796,7 @@ MODULE moduleMesh
module subroutine absorption(self, edge, part)
use moduleSpecies
class(boundaryAbsorption), intent(in):: self
class(boundaryAbsorption), intent(inout):: self
class(meshEdge), intent(inout):: edge
class(particle), intent(inout):: part
@ -803,7 +805,7 @@ MODULE moduleMesh
module subroutine transparent(self, edge, part)
use moduleSpecies
class(boundaryTransparent), intent(in):: self
class(boundaryTransparent), intent(inout):: self
class(meshEdge), intent(inout):: edge
class(particle), intent(inout):: part
@ -812,7 +814,7 @@ MODULE moduleMesh
module subroutine symmetryAxis(self, edge, part)
use moduleSpecies
class(boundaryAxis), intent(in):: self
class(boundaryAxis), intent(inout):: self
class(meshEdge), intent(inout):: edge
class(particle), intent(inout):: part
@ -821,7 +823,7 @@ MODULE moduleMesh
module subroutine wallTemperature(self, edge, part)
use moduleSpecies
class(boundaryWallTemperature), intent(in):: self
class(boundaryWallTemperature), intent(inout):: self
class(meshEdge), intent(inout):: edge
class(particle), intent(inout):: part
@ -830,7 +832,7 @@ MODULE moduleMesh
module subroutine ionization(self, edge, part)
use moduleSpecies
class(boundaryIonization), intent(in):: self
class(boundaryIonization), intent(inout):: self
class(meshEdge), intent(inout):: edge
class(particle), intent(inout):: part
@ -839,7 +841,7 @@ MODULE moduleMesh
module subroutine quasiNeutrality(self, edge, part)
use moduleSpecies
class(boundaryQuasiNeutrality), intent(in):: self
class(boundaryQuasiNeutrality), intent(inout):: self
class(meshEdge), intent(inout):: edge
class(particle), intent(inout):: part

342
src/modules/mesh/moduleMesh@boundaryParticle.f90
View file

@ -1,6 +1,7 @@
!moduleMeshBoundary: Boundary functions for the mesh edges
submodule(moduleMesh) boundaryParticle
contains
! Returns the array index of the boundary based on the name
module function boundaryParticleName_to_Index(boundaryName) result(bp)
use moduleErrors
implicit none
@ -25,6 +26,101 @@ submodule(moduleMesh) boundaryParticle
end function boundaryParticleName_to_Index
module SUBROUTINE reflection(self, edge, part)
USE moduleCaseParam
USE moduleSpecies
IMPLICIT NONE
class(boundaryReflection), intent(inout):: self
CLASS(meshEdge), INTENT(inout):: edge
CLASS(particle), INTENT(inout):: part
!rp = intersection between particle and edge
!rpp = final position of particle
!vpp = final velocity of particle
REAL(8), DIMENSION(1:3):: rp, vpp
!Reflect particle velocity
vpp = part%v - 2.D0*DOT_PRODUCT(part%v, edge%normal)*edge%normal
part%v = vpp
rp = edge%intersection(part%r)
part%r = 2.D0*(rp - part%r) + part%r
!particle is assumed to be inside
part%n_in = .TRUE.
END SUBROUTINE reflection
!Absoption in a surface
module SUBROUTINE absorption(self, edge, part)
USE moduleCaseParam
USE moduleSpecies
IMPLICIT NONE
class(boundaryAbsorption), intent(inout):: self
CLASS(meshEdge), INTENT(inout):: edge
CLASS(particle), INTENT(inout):: part
REAL(8):: rpp(1:3) !Position of particle projected to the edge
REAL(8):: d !Distance from particle to edge
rpp = edge%intersection(part%r)
d = NORM2(rpp - part%r)
IF (d >= 0.D0) THEN
part%weight = part%weight/d
END IF
!Assign new position to particle
part%r = rpp
!Remove particle from the domain
part%n_in = .FALSE.
!Scatter particle in associated volume
IF (ASSOCIATED(edge%e1)) THEN
CALL edge%e1%scatter(edge%e1%nNodes, part)
ELSE
CALL edge%e2%scatter(edge%e2%nNodes, part)
END IF
END SUBROUTINE absorption
!Transparent boundary condition
module SUBROUTINE transparent(self, edge, part)
USE moduleSpecies
IMPLICIT NONE
class(boundaryTransparent), intent(inout):: self
CLASS(meshEdge), INTENT(inout):: edge
CLASS(particle), INTENT(inout):: part
!Removes particle from domain
part%n_in = .FALSE.
END SUBROUTINE transparent
!Symmetry axis. Reflects particles.
!Although this function should never be called, it is set as a reflective boundary
!to properly deal with possible particles reaching a corner and selecting this boundary.
module SUBROUTINE symmetryAxis(self, edge, part)
USE moduleSpecies
IMPLICIT NONE
class(boundaryAxis), intent(inout):: self
CLASS(meshEdge), INTENT(inout):: edge
CLASS(particle), INTENT(inout):: part
CALL genericReflection(edge, part)
END SUBROUTINE symmetryAxis
! wallTemperature
! During the collision, the boundary transfers part of the energy to the incident particle
! Init
module SUBROUTINE initWallTemperature(boundary, T, c)
USE moduleRefParam
IMPLICIT NONE
@ -44,12 +140,37 @@ submodule(moduleMesh) boundaryParticle
END SUBROUTINE initWallTemperature
! Apply
module SUBROUTINE wallTemperature(self, edge, part)
USE moduleSpecies
USE moduleRandom
IMPLICIT NONE
class(boundaryWallTemperature), intent(inout):: self
CLASS(meshEdge), INTENT(inout):: edge
CLASS(particle), INTENT(inout):: part
INTEGER:: i
!Modifies particle velocity according to wall temperature
DO i = 1, 3
part%v(i) = part%v(i) + self%vTh*randomMaxwellian()
END DO
CALL genericReflection(edge, part)
END SUBROUTINE wallTemperature
! ionization
! An electron will pass through the surface and create a series of ion-electron pairs based on a neutral background
!init
module SUBROUTINE initIonization(boundary, mImpact, m0, n0, v0, T0, ion, effTime, crossSection, eThreshold, electronSecondary)
use moduleRefParam
use moduleSpecies
use moduleCaseParam
use moduleConstParam
use moduleErrors, only: criticalError
use omp_lib, only: omp_init_lock
implicit none
class(boundaryParticleGeneric), allocatable, intent(inout):: boundary
@ -91,147 +212,17 @@ submodule(moduleMesh) boundaryParticle
boundary%eThreshold = eThreshold*eV2J/(m_ref*v_ref**2)
boundary%deltaV = DSQRT(boundary%eThreshold/mImpact)
boundary%update => ionization_resetTally
boundary%print => ionization_print
boundary%tally = 0
call omp_init_lock(boundary%tally_lock)
END SELECT
END SUBROUTINE initIonization
module subroutine initQuasiNeutrality(boundary, s_incident)
implicit none
class(boundaryParticleGeneric), allocatable, intent(inout):: boundary
integer, intent(in):: s_incident
allocate(boundaryQuasiNeutrality:: boundary)
select type(boundary)
type is(boundaryQuasiNeutrality)
allocate(boundary%edges(0))
boundary%s_incident = s_incident
boundary%update => quasiNeutrality_update
boundary%print => quasiNeutrality_print
end select
end subroutine initQuasiNeutrality
module SUBROUTINE reflection(self, edge, part)
USE moduleCaseParam
USE moduleSpecies
IMPLICIT NONE
class(boundaryReflection), intent(in):: self
CLASS(meshEdge), INTENT(inout):: edge
CLASS(particle), INTENT(inout):: part
!rp = intersection between particle and edge
!rpp = final position of particle
!vpp = final velocity of particle
REAL(8), DIMENSION(1:3):: rp, vpp
!Reflect particle velocity
vpp = part%v - 2.D0*DOT_PRODUCT(part%v, edge%normal)*edge%normal
part%v = vpp
rp = edge%intersection(part%r)
part%r = 2.D0*(rp - part%r) + part%r
!particle is assumed to be inside
part%n_in = .TRUE.
END SUBROUTINE reflection
!Absoption in a surface
module SUBROUTINE absorption(self, edge, part)
USE moduleCaseParam
USE moduleSpecies
IMPLICIT NONE
class(boundaryAbsorption), intent(in):: self
CLASS(meshEdge), INTENT(inout):: edge
CLASS(particle), INTENT(inout):: part
REAL(8):: rpp(1:3) !Position of particle projected to the edge
REAL(8):: d !Distance from particle to edge
rpp = edge%intersection(part%r)
d = NORM2(rpp - part%r)
IF (d >= 0.D0) THEN
part%weight = part%weight/d
END IF
!Assign new position to particle
part%r = rpp
!Remove particle from the domain
part%n_in = .FALSE.
!Scatter particle in associated volume
IF (ASSOCIATED(edge%e1)) THEN
CALL edge%e1%scatter(edge%e1%nNodes, part)
ELSE
CALL edge%e2%scatter(edge%e2%nNodes, part)
END IF
END SUBROUTINE absorption
!Transparent boundary condition
module SUBROUTINE transparent(self, edge, part)
USE moduleSpecies
IMPLICIT NONE
class(boundaryTransparent), intent(in):: self
CLASS(meshEdge), INTENT(inout):: edge
CLASS(particle), INTENT(inout):: part
!Removes particle from domain
part%n_in = .FALSE.
END SUBROUTINE transparent
!Symmetry axis. Reflects particles.
!Although this function should never be called, it is set as a reflective boundary
!to properly deal with possible particles reaching a corner and selecting this boundary.
module SUBROUTINE symmetryAxis(self, edge, part)
USE moduleSpecies
IMPLICIT NONE
class(boundaryAxis), intent(in):: self
CLASS(meshEdge), INTENT(inout):: edge
CLASS(particle), INTENT(inout):: part
CALL genericReflection(edge, part)
END SUBROUTINE symmetryAxis
!Wall with temperature
module SUBROUTINE wallTemperature(self, edge, part)
USE moduleSpecies
USE moduleRandom
IMPLICIT NONE
class(boundaryWallTemperature), intent(in):: self
CLASS(meshEdge), INTENT(inout):: edge
CLASS(particle), INTENT(inout):: part
INTEGER:: i
!Modifies particle velocity according to wall temperature
DO i = 1, 3
part%v(i) = part%v(i) + self%vTh*randomMaxwellian()
END DO
CALL genericReflection(edge, part)
END SUBROUTINE wallTemperature
!Ionization surface: an electron will pass through the surface
! and create an ion-electron pair based on a neutral background
! Apply
module SUBROUTINE ionization(self, edge, part)
USE moduleList
USE moduleSpecies
@ -239,9 +230,10 @@ submodule(moduleMesh) boundaryParticle
USE moduleRefParam
USE moduleRandom
USE moduleMath
use omp_lib, only: omp_set_lock, omp_unset_lock
IMPLICIT NONE
class(boundaryIonization), intent(in):: self
class(boundaryIonization), intent(inout):: self
CLASS(meshEdge), INTENT(inout):: edge
CLASS(particle), INTENT(inout):: part
REAL(8):: vRel, eRel, mRel !relative velocity, energy and mass
@ -320,6 +312,11 @@ submodule(moduleMesh) boundaryParticle
!Reduce number of possible ionizations
nIonizations = nIonizations - 1
! Increase the tally
call omp_set_lock(self%tally_lock)
self%tally = self%tally + 1
call omp_unset_lock(self%tally_lock)
END IF
END DO
@ -329,11 +326,68 @@ submodule(moduleMesh) boundaryParticle
END SUBROUTINE ionization
! Update
subroutine ionization_resetTally(self)
implicit none
class(boundaryParticleGeneric), intent(inout):: self
select type(self)
type is(boundaryIonization)
self%tally = 0
end select
end subroutine ionization_resetTally
! Print
subroutine ionization_print(self, fileID)
implicit none
class(boundaryParticleGeneric), intent(inout):: self
integer, intent(in):: fileID
integer:: e
write(fileID, '(A)') self%name
select type(self)
type is(boundaryIonization)
write(fileID, '(A)') 'Number of successful ionization events per iteration'
write(fileID, '('//fmtInt//')') self%tally
end select
end subroutine ionization_print
! quasiNeutrality
! Maintains n_incident = n_rest by modifying the reflection parameter of the edge.
! Init
module subroutine initQuasiNeutrality(boundary, s_incident)
implicit none
class(boundaryParticleGeneric), allocatable, intent(inout):: boundary
integer, intent(in):: s_incident
allocate(boundaryQuasiNeutrality:: boundary)
select type(boundary)
type is(boundaryQuasiNeutrality)
allocate(boundary%edges(0))
boundary%s_incident = s_incident
boundary%update => quasiNeutrality_update
boundary%print => quasiNeutrality_print
end select
end subroutine initQuasiNeutrality
! Apply
module subroutine quasiNeutrality(self, edge, part)
use moduleRandom
implicit none
class(boundaryQuasiNeutrality), intent(in):: self
class(boundaryQuasiNeutrality), intent(inout):: self
class(meshEdge), intent(inout):: edge
class(particle), intent(inout):: part
@ -347,6 +401,7 @@ submodule(moduleMesh) boundaryParticle
end subroutine quasiNeutrality
! Update
subroutine quasiNeutrality_update(self)
implicit none
@ -404,10 +459,11 @@ submodule(moduleMesh) boundaryParticle
end subroutine quasiNeutrality_update
! Print output
subroutine quasiNeutrality_print(self, fileID)
implicit none
class(boundaryParticleGeneric), intent(in):: self
class(boundaryParticleGeneric), intent(inout):: self
integer, intent(in):: fileID
integer:: e
@ -416,7 +472,7 @@ submodule(moduleMesh) boundaryParticle
type is(boundaryQuasiNeutrality)
write(fileID, '(A,",",A)') '"Edge id"', '"alpha"'
do e = 1, size(self%edges)
write(fileID, '(I0,",",ES0.6E3)') self%edges(e)%obj%n, self%alpha(self%edges(e)%obj%n)
write(fileID, '('//fmtInt//',",",'//fmtReal//')') self%edges(e)%obj%n, self%alpha(self%edges(e)%obj%n)
end do
@ -425,6 +481,7 @@ submodule(moduleMesh) boundaryParticle
end subroutine quasiNeutrality_print
! Generic boundary conditions for internal use
! reflection
module subroutine genericReflection(edge, part)
use moduleCaseParam
use moduleSpecies
@ -450,6 +507,7 @@ submodule(moduleMesh) boundaryParticle
end subroutine genericReflection
! transparent
module subroutine genericTransparent(edge, part)
use moduleSpecies
implicit none
@ -462,6 +520,7 @@ submodule(moduleMesh) boundaryParticle
end subroutine genericTransparent
! Updates the boundary condition values when %update procedure is associated
module subroutine boundariesParticle_update()
implicit none
@ -477,6 +536,7 @@ submodule(moduleMesh) boundaryParticle
end subroutine boundariesParticle_update
! Writes the output into the Step_XXXXX_boundaryParticles file when the %print procedure is associated
module subroutine boundariesParticle_write()
use moduleCaseparam, only: timeStep
use moduleOutput, only:fileID_boundaryParticle, formatFileName, informFileCreation