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Boundaries done. Now to change the input and edges

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This commit is contained in:
Jorge Gonzalez 2026-02-09 18:43:59 +01:00
commit 0ccf455986
5 changed files with 239 additions and 221 deletions
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1
src/modules/common/moduleConstParam.f90
View file

@ -10,6 +10,7 @@ MODULE moduleConstParam
REAL(8), PARAMETER:: PI8 = 8.D0*PI !8*pi
REAL(8), PARAMETER:: sccm2atomPerS = 4.5D17 !sccm to atom s^-1
REAL(8), PARAMETER:: qe = 1.60217662D-19 !Elementary charge
real(8), parameter:: me = 9.1093837d-31 !electron mass
REAL(8), PARAMETER:: kb = 1.38064852D-23 !Boltzmann constants SI
REAL(8), PARAMETER:: eV2J = qe !Electron volt to Joule conversion
REAL(8), PARAMETER:: eps_0 = 8.8542D-12 !Epsilon_0

1
src/modules/init/moduleInput.f90
View file

@ -795,7 +795,6 @@ MODULE moduleInput
use moduleMesh
USE moduleErrors
USE moduleSpecies
USE moduleRefParam
USE moduleList, ONLY: partSurfaces
USE json_module
IMPLICIT NONE

102
src/modules/mesh/moduleMesh.f90
View file

@ -86,8 +86,8 @@ MODULE moduleMesh
REAL(8):: normal(1:3)
! Surface of edge
REAL(8):: surface = 0.D0
!Pointer to boundary type
TYPE(boundaryCont), POINTER:: boundaries(:)
!Pointer to boundary per species
TYPE(boundaryCont), POINTER:: boundariesParticle(:)
!Physical surface for the edge
INTEGER:: physicalSurface
CONTAINS
@ -587,36 +587,33 @@ MODULE moduleMesh
! Boundary Particle Definitions
!Generic type for boundaries
TYPE, abstract, PUBLIC:: boundaryGeneric
integer:: n = 0
character(:), allocatable:: name
integer:: physicalSurface = 0 !Physical surface as defined in the mesh file
contains
procedure, pass:: initBoundary
procedure(boundary_interface), deferred, pass:: apply
procedure, pass:: init => initBoundary
procedure(boundary_interface), deferred, nopass:: apply
END TYPE boundaryGeneric
interface
module subroutine initBoundary(self, config, object, i)
module subroutine initBoundary(self, config, object)
use json_module
class(boundaryGeneric), intent(out):: self
type(json_file), intent(inout):: config
character(:), allocatable, intent(in):: object
integer, intent(in):: i
end subroutine initBoundary
end interface
abstract interface
subroutine boundary_interface(self, edge, part)
subroutine boundary_interface(edge, part, self)
use moduleSpecies
import boundaryGeneric, meshEdge
class(boundaryGeneric), intent(in):: self
class(meshEdge), intent(inout):: edge
class(particle), intent(inout):: part
class(boundaryGeneric), optional, intent(in):: self
end subroutine
@ -625,28 +622,28 @@ MODULE moduleMesh
!Reflecting boundary
TYPE, PUBLIC, EXTENDS(boundaryGeneric):: boundaryReflection
CONTAINS
procedure, pass:: apply => reflection
procedure, nopass:: apply => reflection
END TYPE boundaryReflection
!Absorption boundary
TYPE, PUBLIC, EXTENDS(boundaryGeneric):: boundaryAbsorption
CONTAINS
procedure, pass:: apply => absorption
procedure, nopass:: apply => absorption
END TYPE boundaryAbsorption
!Transparent boundary
TYPE, PUBLIC, EXTENDS(boundaryGeneric):: boundaryTransparent
CONTAINS
procedure, pass:: apply => transparent
procedure, nopass:: apply => transparent
END TYPE boundaryTransparent
!Symmetry axis
TYPE, PUBLIC, EXTENDS(boundaryGeneric):: boundaryAxis
CONTAINS
procedure, pass:: apply => axis
procedure, nopass:: apply => axis
END TYPE boundaryAxis
@ -655,7 +652,7 @@ MODULE moduleMesh
!Thermal velocity of the wall: square root(Wall temperature X specific heat)
REAL(8):: vTh
CONTAINS
procedure, pass:: apply => wallTemperature
procedure, nopass:: apply => wallTemperature
END TYPE boundaryWallTemperature
@ -669,7 +666,7 @@ MODULE moduleMesh
REAL(8):: eThreshold
REAL(8):: deltaV
CONTAINS
procedure, pass:: apply => ionization
procedure, nopass:: apply => ionization
END TYPE boundaryIonization
@ -678,17 +675,11 @@ MODULE moduleMesh
real(8):: alpha ! Reflection parameter
integer, allocatable:: edges(:) !Array with edges
contains
procedure, pass:: apply => quasiNeutrality
procedure, nopass:: apply => quasiNeutrality
end type boundaryQuasiNeutrality
!Wrapper for boundary types (one per species)
TYPE:: bTypesCont
CLASS(boundaryGeneric), ALLOCATABLE:: obj
CONTAINS
END TYPE bTypesCont
interface
module subroutine pointBoundaryFunction(edge, s)
class(meshEdge), intent(inout):: edge
@ -696,36 +687,73 @@ MODULE moduleMesh
end subroutine pointBoundaryFunction
module function getBoundaryId(physicalSurface) result(id)
integer:: physicalSurface
end function getBoundaryId
module subroutine reflection(self, edge, part)
module subroutine reflection(edge, part, self)
use moduleSpecies
class(boundaryReflection), intent(in):: self
class(meshEdge), intent(inout):: edge
class(particle), intent(inout):: part
class(boundaryGeneric), optional, intent(in):: self
end subroutine reflection
module subroutine absorption(self, edge, part)
module subroutine absorption(edge, part, self)
use moduleSpecies
class(boundaryAbsorption), intent(in):: self
class(meshEdge), intent(inout):: edge
class(particle), intent(inout):: part
class(boundaryGeneric), optional, intent(in):: self
end subroutine absorption
module subroutine transparent(edge, part, self)
use moduleSpecies
class(meshEdge), intent(inout):: edge
class(particle), intent(inout):: part
class(boundaryGeneric), optional, intent(in):: self
end subroutine transparent
module subroutine axis(edge, part, self)
use moduleSpecies
class(meshEdge), intent(inout):: edge
class(particle), intent(inout):: part
class(boundaryGeneric), optional, intent(in):: self
end subroutine axis
module subroutine wallTemperature(edge, part, self)
use moduleSpecies
class(meshEdge), intent(inout):: edge
class(particle), intent(inout):: part
class(boundaryGeneric), optional, intent(in):: self
end subroutine wallTemperature
module subroutine ionization(edge, part, self)
use moduleSpecies
class(meshEdge), intent(inout):: edge
class(particle), intent(inout):: part
class(boundaryGeneric), optional, intent(in):: self
end subroutine ionization
module subroutine quasiNeutrality(edge, part, self)
use moduleSpecies
class(meshEdge), intent(inout):: edge
class(particle), intent(inout):: part
class(boundaryGeneric), optional, intent(in):: self
end subroutine quasiNeutrality
end interface
TYPE:: boundaryCont
INTEGER:: n = 0
CHARACTER(:), ALLOCATABLE:: name
INTEGER:: physicalSurface = 0 !Physical surface as defined in the mesh file
CLASS(bTypesCont), ALLOCATABLE:: bTypes(:) !Array for boundary per species
CLASS(boundaryGeneric), ALLOCATABLE:: obj
CONTAINS
END TYPE boundaryCont
@ -733,6 +761,6 @@ MODULE moduleMesh
!Number of boundaries
INTEGER:: nBoundary = 0
!Array for boundaries
TYPE(boundaryCont), ALLOCATABLE, TARGET:: boundaries(:)
TYPE(boundaryCont), ALLOCATABLE, TARGET:: boundariesParticle(:)
END MODULE moduleMesh

204
src/modules/mesh/moduleMesh@boundary.f90
View file

@ -1,29 +1,30 @@
!moduleMeshBoundary: Boundary functions for the mesh edges
submodule(moduleMesh) boundary
CONTAINS
FUNCTION getBoundaryId(physicalSurface) RESULT(id)
IMPLICIT NONE
! FUNCTION getBoundaryId(physicalSurface) RESULT(id)
! IMPLICIT NONE
INTEGER:: physicalSurface
INTEGER:: id
INTEGER:: i
! INTEGER:: physicalSurface
! INTEGER:: id
! INTEGER:: i
id = 0
DO i = 1, nBoundary
IF (physicalSurface == boundaries(i)%physicalSurface) id = boundaries(i)%n
! id = 0
! DO i = 1, nBoundary
! IF (physicalSurface == boundariesParticle(i)%obj%physicalSurface) id = boundariesParticle(i)%obj%n
END DO
! END DO
END FUNCTION getBoundaryId
! END FUNCTION getBoundaryId
module subroutine initBoundary(self, config, object, i)
module subroutine initBoundary(self, config, object)
use json_module
use moduleRefParam, only: m_ref
use moduleConstParam, only: me
implicit none
class(boundaryGeneric), intent(out):: self
class(boundaryGeneric), allocatable, intent(out):: self
type(json_file), intent(inout):: config
character(:), allocatable, intent(in):: object
integer, intent(in):: i
character(:), allocatable:: bType
logical:: found
real(8):: Tw, cw !Wall temperature and specific heat
@ -35,29 +36,20 @@ submodule(moduleMesh) boundary
integer:: speciesID, electronSecondaryID
character(:), allocatable:: speciesName, crossSection, electronSecondary
self%n = i
CALL config%get(object // '.name', self%name, found)
CALL config%get(object // '.physicalSurface', self%physicalSurface, found)
CALL config%info(object // '.bTypes', found, n_children = nTypes)
IF (nTypes /= nSpecies) CALL criticalError('Not enough boundary types defined in ' // object, 'readBoundary')
ALLOCATE(self%bTypes(1:nSpecies))
DO s = 1, nSpecies
WRITE(sString,'(i2)') s
object = 'boundary(' // TRIM(iString) // ').bTypes(' // TRIM(sString) // ')'
CALL config%get(object // '.type', bType, found)
associate(bound => self%bTypes(s)%obj)
SELECT CASE(bType)
CASE('reflection')
ALLOCATE(boundaryReflection:: bound)
ALLOCATE(boundaryReflection:: self)
CASE('absorption')
ALLOCATE(boundaryAbsorption:: bound)
ALLOCATE(boundaryAbsorption:: self)
CASE('transparent')
ALLOCATE(boundaryTransparent:: bound)
ALLOCATE(boundaryTransparent:: self)
CASE('axis')
ALLOCATE(boundaryAxis:: bound)
ALLOCATE(boundaryAxis:: self)
CASE('wallTemperature')
CALL config%get(object // '.temperature', Tw, found)
@ -65,7 +57,7 @@ submodule(moduleMesh) boundary
CALL config%get(object // '.specificHeat', cw, found)
IF (.NOT. found) CALL criticalError("specificHeat not found for wallTemperature boundary type", 'readBoundary')
CALL initWallTemperature(bound, Tw, cw)
CALL initWallTemperature(self, Tw, cw)
CASE('ionization')
!Neutral parameters
@ -73,9 +65,7 @@ submodule(moduleMesh) boundary
IF (.NOT. found) CALL criticalError("missing parameter 'ion' for neutrals in ionization", 'readBoundary')
speciesID = speciesName2Index(speciesName)
CALL config%get(object // '.neutral.mass', m0, found)
IF (.NOT. found) THEN
m0 = species(s)%obj%m*m_ref
END IF
IF (.NOT. found) CALL criticalError("missing parameter 'mass' for neutrals in ionization", 'readBoundary')
CALL config%get(object // '.neutral.density', n0, found)
IF (.NOT. found) CALL criticalError("missing parameter 'density' for neutrals in ionization", 'readBoundary')
CALL config%get(object // '.neutral.velocity', v0, found)
@ -95,26 +85,24 @@ submodule(moduleMesh) boundary
CALL config%get(object // '.electronSecondary', electronSecondary, found)
electronSecondaryID = speciesName2Index(electronSecondary)
IF (found) THEN
CALL initIonization(bound, species(s)%obj%m, m0, n0, v0, T0, &
CALL initIonization(self, me/m_ref, m0, n0, v0, T0, &
speciesID, effTime, crossSection, eThreshold,electronSecondaryID)
ELSE
CALL initIonization(bound, species(s)%obj%m, m0, n0, v0, T0, &
CALL initIonization(self, me/m_ref, m0, n0, v0, T0, &
speciesID, effTime, crossSection, eThreshold)
END IF
case('quasiNeutrality')
call initQuasiNeutrality(bound)
call initQuasiNeutrality(self)
CASE DEFAULT
CALL criticalError('Boundary type ' // bType // ' undefined', 'readBoundary')
END SELECT
end associate
END DO
end subroutine initBoundary
SUBROUTINE initWallTemperature(boundary, T, c)
@ -130,7 +118,7 @@ submodule(moduleMesh) boundary
END SUBROUTINE initWallTemperature
SUBROUTINE initIonization(boundary, me, m0, n0, v0, T0, ion, effTime, crossSection, eThreshold, electronSecondary)
SUBROUTINE initIonization(boundary, mImpact, m0, n0, v0, T0, ion, effTime, crossSection, eThreshold, electronSecondary)
USE moduleRefParam
USE moduleSpecies
USE moduleCaseParam
@ -139,7 +127,7 @@ submodule(moduleMesh) boundary
IMPLICIT NONE
CLASS(boundaryGeneric), ALLOCATABLE, INTENT(out):: boundary
REAL(8), INTENT(in):: me !Electron mass
real(8), intent(in):: mImpact
REAL(8), INTENT(in):: m0, n0, v0(1:3), T0 !Neutral properties
INTEGER, INTENT(in):: ion
INTEGER, OPTIONAL, INTENT(in):: electronSecondary
@ -175,7 +163,7 @@ submodule(moduleMesh) boundary
CALL boundary%crossSection%init(crossSection)
CALL boundary%crossSection%convert(eV2J/(m_ref*v_ref**2), 1.D0/L_ref**2)
boundary%eThreshold = eThreshold*eV2J/(m_ref*v_ref**2)
boundary%deltaV = DSQRT(boundary%eThreshold/me)
boundary%deltaV = DSQRT(boundary%eThreshold/mImpact)
END SELECT
@ -197,13 +185,14 @@ submodule(moduleMesh) boundary
end subroutine initQuasiNeutrality
module SUBROUTINE reflection(edge, part)
module SUBROUTINE reflection(edge, part, self)
USE moduleCaseParam
USE moduleSpecies
IMPLICIT NONE
CLASS(meshEdge), INTENT(inout):: edge
CLASS(particle), INTENT(inout):: part
class(boundaryGeneric), optional, intent(in):: self
!rp = intersection between particle and edge
!rpp = final position of particle
!vpp = final velocity of particle
@ -223,13 +212,14 @@ submodule(moduleMesh) boundary
END SUBROUTINE reflection
!Absoption in a surface
SUBROUTINE absorption(edge, part)
SUBROUTINE absorption(edge, part, self)
USE moduleCaseParam
USE moduleSpecies
IMPLICIT NONE
CLASS(meshEdge), INTENT(inout):: edge
CLASS(particle), INTENT(inout):: part
class(boundaryGeneric), optional, intent(in):: self
REAL(8):: rpp(1:3) !Position of particle projected to the edge
REAL(8):: d !Distance from particle to edge
@ -259,12 +249,13 @@ submodule(moduleMesh) boundary
END SUBROUTINE absorption
!Transparent boundary condition
SUBROUTINE transparent(edge, part)
SUBROUTINE transparent(edge, part, self)
USE moduleSpecies
IMPLICIT NONE
CLASS(meshEdge), INTENT(inout):: edge
CLASS(particle), INTENT(inout):: part
class(boundaryGeneric), optional, intent(in):: self
!Removes particle from domain
part%n_in = .FALSE.
@ -274,44 +265,46 @@ submodule(moduleMesh) boundary
!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.
SUBROUTINE symmetryAxis(edge, part)
SUBROUTINE symmetryAxis(edge, part, self)
USE moduleSpecies
IMPLICIT NONE
CLASS(meshEdge), INTENT(inout):: edge
CLASS(particle), INTENT(inout):: part
class(boundaryGeneric), optional, intent(in):: self
CALL reflection(edge, part)
END SUBROUTINE symmetryAxis
!Wall with temperature
SUBROUTINE wallTemperature(edge, part)
SUBROUTINE wallTemperature(edge, part, self)
USE moduleSpecies
USE moduleRandom
IMPLICIT NONE
CLASS(meshEdge), INTENT(inout):: edge
CLASS(particle), INTENT(inout):: part
class(boundaryGeneric), optional, intent(in):: self
INTEGER:: i
select type(self)
type is(boundaryWallTemperature)
!Modifies particle velocity according to wall temperature
SELECT TYPE(bound => edge%boundary%bTypes(part%species%n)%obj)
TYPE IS(boundaryWallTemperature)
DO i = 1, 3
part%v(i) = part%v(i) + bound%vTh*randomMaxwellian()
part%v(i) = part%v(i) + self%vTh*randomMaxwellian()
END DO
END SELECT
CALL reflection(edge, part)
end select
END SUBROUTINE wallTemperature
!Ionization surface: an electron will pass through the surface
! and create an ion-electron pair based on a neutral background
SUBROUTINE ionization(edge, part)
SUBROUTINE ionization(edge, part, self)
USE moduleList
USE moduleSpecies
USE moduleMesh
@ -322,6 +315,7 @@ submodule(moduleMesh) boundary
CLASS(meshEdge), INTENT(inout):: edge
CLASS(particle), INTENT(inout):: part
class(boundaryGeneric), optional, intent(in):: self
REAL(8):: vRel, eRel, mRel !relative velocity, energy and mass
INTEGER:: nIonizations !Number of ionizations based on eRel
REAL(8):: pIonization !Probability of ionization of each event
@ -330,40 +324,40 @@ submodule(moduleMesh) boundary
TYPE(particle), POINTER:: newElectron
TYPE(particle), POINTER:: newIon
SELECT TYPE(bound => edge%boundary%bTypes(part%species%n)%obj)
TYPE IS(boundaryIonization)
mRel = reducedMass(bound%m0, part%species%m)
vRel = SUM(DABS(part%v-bound%v0))
select type(self)
type is(boundaryIonization)
mRel = reducedMass(self%m0, part%species%m)
vRel = SUM(DABS(part%v-self%v0))
eRel = mRel*vRel**2*5.D-1
!Maximum number of possible ionizations based on relative energy
nIonizations = FLOOR(eRel/bound%eThreshold)
nIonizations = FLOOR(eRel/self%eThreshold)
DO p = 1, nIonizations
!Get probability of ionization
pIonization = 1.D0 - DEXP(-bound%n0*bound%crossSection%get(eRel)*vRel*bound%effectiveTime/REAL(nIonizations))
pIonization = 1.D0 - DEXP(-self%n0*self%crossSection%get(eRel)*vRel*self%effectiveTime/REAL(nIonizations))
!If a random number is below the probability of ionization, create new pair of ion-electron
IF (random() < pIonization) THEN
!Assign random velocity to the neutral
v0(1) = bound%v0(1) + bound%vTh*randomMaxwellian()
v0(2) = bound%v0(2) + bound%vTh*randomMaxwellian()
v0(3) = bound%v0(3) + bound%vTh*randomMaxwellian()
v0(1) = self%v0(1) + self%vTh*randomMaxwellian()
v0(2) = self%v0(2) + self%vTh*randomMaxwellian()
v0(3) = self%v0(3) + self%vTh*randomMaxwellian()
!Allocates the new particles
ALLOCATE(newElectron)
ALLOCATE(newIon)
IF (ASSOCIATED(bound%electronSecondary)) THEN
newElectron%species => bound%electronSecondary
IF (ASSOCIATED(self%electronSecondary)) THEN
newElectron%species => self%electronSecondary
ELSE
newElectron%species => part%species
END IF
newIon%species => bound%species
newIon%species => self%species
newElectron%v = v0 + (1.D0 + bound%deltaV*v0/NORM2(v0))
newElectron%v = v0 + (1.D0 + self%deltaV*v0/NORM2(v0))
newIon%v = v0
newElectron%r = edge%randPos()
@ -394,7 +388,7 @@ submodule(moduleMesh) boundary
CALL partSurfaces%unsetLock()
!Electron loses energy due to ionization
eRel = eRel - bound%eThreshold
eRel = eRel - self%eThreshold
vRel = 2.D0*DSQRT(eRel)/mRel
!Reduce number of possible ionizations
@ -404,28 +398,26 @@ submodule(moduleMesh) boundary
END DO
END SELECT
!Removes ionizing electron regardless the number of pair created
part%n_in = .FALSE.
end select
END SUBROUTINE ionization
subroutine quasiNeutrality(edge, part)
subroutine quasiNeutrality(edge, part, self)
use moduleRandom
implicit none
class(meshEdge), intent(inout):: edge
class(particle), intent(inout):: part
class(boundaryGeneric), optional, intent(in):: self
real(8), allocatable:: density(:)
class(meshCell), pointer:: cell
real(8):: EF_dir
real(8):: alpha
select type(bound => edge%boundary%bTypes(part%species%n)%obj)
type is(boundaryQuasiNeutrality)
if (associated(edge%e1)) then
cell => edge%e1
@ -442,45 +434,43 @@ submodule(moduleMesh) boundary
end if
end select
end subroutine quasiNeutrality
!Points the boundary function to specific type
module SUBROUTINE pointBoundaryFunction(edge, s)
USE moduleErrors
IMPLICIT NONE
CLASS(meshEdge), INTENT(inout):: edge
INTEGER, INTENT(in):: s !Species index
SELECT TYPE(obj => edge%boundary%bTypes(s)%obj)
TYPE IS(boundaryAbsorption)
edge%fBoundary(s)%apply => absorption
TYPE IS(boundaryReflection)
edge%fBoundary(s)%apply => reflection
TYPE IS(boundaryTransparent)
edge%fBoundary(s)%apply => transparent
TYPE IS(boundaryAxis)
edge%fBoundary(s)%apply => symmetryAxis
TYPE IS(boundaryWallTemperature)
edge%fBoundary(s)%apply => wallTemperature
TYPE IS(boundaryIonization)
edge%fBoundary(s)%apply => ionization
type is(boundaryQuasiNeutrality)
edge%fBoundary(s)%apply => quasiNeutrality
CLASS DEFAULT
CALL criticalError("Boundary type not defined", 'pointBoundaryFunction')
END SELECT
END SUBROUTINE pointBoundaryFunction
! !Points the boundary function to specific type
! module SUBROUTINE pointBoundaryFunction(edge, s)
! USE moduleErrors
! IMPLICIT NONE
!
! CLASS(meshEdge), INTENT(inout):: edge
! INTEGER, INTENT(in):: s !Species index
!
! SELECT TYPE(obj => edge%boundary%bTypes(s)%obj)
! TYPE IS(boundaryAbsorption)
! edge%fBoundary(s)%apply => absorption
!
! TYPE IS(boundaryReflection)
! edge%fBoundary(s)%apply => reflection
!
! TYPE IS(boundaryTransparent)
! edge%fBoundary(s)%apply => transparent
!
! TYPE IS(boundaryAxis)
! edge%fBoundary(s)%apply => symmetryAxis
!
! TYPE IS(boundaryWallTemperature)
! edge%fBoundary(s)%apply => wallTemperature
!
! TYPE IS(boundaryIonization)
! edge%fBoundary(s)%apply => ionization
!
! type is(boundaryQuasiNeutrality)
! edge%fBoundary(s)%apply => quasiNeutrality
!
! CLASS DEFAULT
! CALL criticalError("Boundary type not defined", 'pointBoundaryFunction')
!
! END SELECT
!
! END SUBROUTINE pointBoundaryFunction
end submodule boundary

2
src/modules/mesh/moduleMesh@elements.f90
View file

@ -203,7 +203,7 @@ submodule(moduleMesh) elements
CLASS IS (meshEdge)
!Particle encountered a surface, apply boundary
CALL neighbourElement%fBoundary(part%species%n)%apply(neighbourElement,part)
CALL neighbourElement%boundariesParticle(part%species%n)%obj%apply(neighbourElement,part)
!If particle is still inside the domain, call findCell
IF (part%n_in) THEN