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Merge remote-tracking branch 'origin/name-change' into development

This commit is contained in:
Martin Diehl 2020-10-02 12:53:57 +02:00
parent 42d3ac045b 26acdaf9ec
commit ab34109ef8
6 changed files with 141 additions and 140 deletions
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2
PRIVATE

@ -1 +1 @@
Subproject commit 05024077bc89350d0313fc33d695a25612ac5130 Subproject commit 3b498f5cb3c50e669588106de1b4cdc4c03ffff1

47
examples/SpectralMethod/Polycrystal/material.yaml
View File

@ -1,107 +1,109 @@
homogenization: homogenization:
SX: SX:
mech: {type: none} mech: {type: none}
microstructure:
material:
- constituents: - constituents:
- fraction: 1.0 - fraction: 1.0
orientation: [1.0, 0.0, 0.0, 0.0] O: [1.0, 0.0, 0.0, 0.0]
phase: Aluminum phase: Aluminum
homogenization: SX homogenization: SX
- constituents: - constituents:
- fraction: 1.0 - fraction: 1.0
orientation: [0.7936696712125002, -0.28765777461664166, -0.3436487135089419, 0.4113964260949434] O: [0.7936696712125002, -0.28765777461664166, -0.3436487135089419, 0.4113964260949434]
phase: Aluminum phase: Aluminum
homogenization: SX homogenization: SX
- constituents: - constituents:
- fraction: 1.0 - fraction: 1.0
orientation: [0.3986143167493579, -0.7014883552495493, 0.2154871765709027, 0.5500781677772945] O: [0.3986143167493579, -0.7014883552495493, 0.2154871765709027, 0.5500781677772945]
phase: Aluminum phase: Aluminum
homogenization: SX homogenization: SX
- constituents: - constituents:
- fraction: 1.0 - fraction: 1.0
orientation: [0.28645844315788244, -0.022571491243423537, -0.467933059311115, -0.8357456192708106] O: [0.28645844315788244, -0.022571491243423537, -0.467933059311115, -0.8357456192708106]
phase: Aluminum phase: Aluminum
homogenization: SX homogenization: SX
- constituents: - constituents:
- fraction: 1.0 - fraction: 1.0
orientation: [0.33012772942625784, -0.6781865350268957, 0.6494525351030648, 0.09638521992649676] O: [0.33012772942625784, -0.6781865350268957, 0.6494525351030648, 0.09638521992649676]
phase: Aluminum phase: Aluminum
homogenization: SX homogenization: SX
- constituents: - constituents:
- fraction: 1.0 - fraction: 1.0
orientation: [0.43596817439583935, -0.5982537129781701, 0.046599032277502436, 0.6707106499919265] O: [0.43596817439583935, -0.5982537129781701, 0.046599032277502436, 0.6707106499919265]
phase: Aluminum phase: Aluminum
homogenization: SX homogenization: SX
- constituents: - constituents:
- fraction: 1.0 - fraction: 1.0
orientation: [0.169734823419553, -0.699615227367322, -0.6059581215838098, -0.33844257746495854] O: [0.169734823419553, -0.699615227367322, -0.6059581215838098, -0.33844257746495854]
phase: Aluminum phase: Aluminum
homogenization: SX homogenization: SX
- constituents: - constituents:
- fraction: 1.0 - fraction: 1.0
orientation: [0.9698864809294915, 0.1729052643205874, -0.15948307917616958, 0.06315956884687175] O: [0.9698864809294915, 0.1729052643205874, -0.15948307917616958, 0.06315956884687175]
phase: Aluminum phase: Aluminum
homogenization: SX homogenization: SX
- constituents: - constituents:
- fraction: 1.0 - fraction: 1.0
orientation: [0.46205660912967883, 0.3105054068891252, -0.617849551030653, 0.555294529545738] O: [0.46205660912967883, 0.3105054068891252, -0.617849551030653, 0.555294529545738]
phase: Aluminum phase: Aluminum
homogenization: SX homogenization: SX
- constituents: - constituents:
- fraction: 1.0 - fraction: 1.0
orientation: [0.4512443497461787, -0.7636045534540555, -0.04739348426715133, -0.45939142396805815] O: [0.4512443497461787, -0.7636045534540555, -0.04739348426715133, -0.45939142396805815]
phase: Aluminum phase: Aluminum
homogenization: SX homogenization: SX
- constituents: - constituents:
- fraction: 1.0 - fraction: 1.0
orientation: [0.2161856212656443, -0.6581450184826598, -0.5498086209601588, 0.4667112513346289] O: [0.2161856212656443, -0.6581450184826598, -0.5498086209601588, 0.4667112513346289]
phase: Aluminum phase: Aluminum
homogenization: SX homogenization: SX
- constituents: - constituents:
- fraction: 1.0 - fraction: 1.0
orientation: [0.8753220715350803, -0.4561599367657419, -0.13298279533852678, -0.08969369719975541] O: [0.8753220715350803, -0.4561599367657419, -0.13298279533852678, -0.08969369719975541]
phase: Aluminum phase: Aluminum
homogenization: SX homogenization: SX
- constituents: - constituents:
- fraction: 1.0 - fraction: 1.0
orientation: [0.11908260752431069, 0.18266024809834172, -0.7144822594012615, -0.664807992845101] O: [0.11908260752431069, 0.18266024809834172, -0.7144822594012615, -0.664807992845101]
phase: Aluminum phase: Aluminum
homogenization: SX homogenization: SX
- constituents: - constituents:
- fraction: 1.0 - fraction: 1.0
orientation: [0.751104669484278, 0.5585633382623958, -0.34579336397009175, 0.06538900566860861] O: [0.751104669484278, 0.5585633382623958, -0.34579336397009175, 0.06538900566860861]
phase: Aluminum phase: Aluminum
homogenization: SX homogenization: SX
- constituents: - constituents:
- fraction: 1.0 - fraction: 1.0
orientation: [0.08740438971703973, 0.8991264096610437, -0.4156704205935976, 0.10559485570696363] O: [0.08740438971703973, 0.8991264096610437, -0.4156704205935976, 0.10559485570696363]
phase: Aluminum phase: Aluminum
homogenization: SX homogenization: SX
- constituents: - constituents:
- fraction: 1.0 - fraction: 1.0
orientation: [0.5584325870096193, 0.6016408353068798, -0.14280340445801173, 0.5529814994483859] O: [0.5584325870096193, 0.6016408353068798, -0.14280340445801173, 0.5529814994483859]
phase: Aluminum phase: Aluminum
homogenization: SX homogenization: SX
- constituents: - constituents:
- fraction: 1.0 - fraction: 1.0
orientation: [0.4052725440888093, 0.25253073423599154, 0.5693263597910454, -0.669215876471182] O: [0.4052725440888093, 0.25253073423599154, 0.5693263597910454, -0.669215876471182]
phase: Aluminum phase: Aluminum
homogenization: SX homogenization: SX
- constituents: - constituents:
- fraction: 1.0 - fraction: 1.0
orientation: [0.7570164606888676, 0.15265448024694664, -0.5998021466848317, 0.20942796551297105] O: [0.7570164606888676, 0.15265448024694664, -0.5998021466848317, 0.20942796551297105]
phase: Aluminum phase: Aluminum
homogenization: SX homogenization: SX
- constituents: - constituents:
- fraction: 1.0 - fraction: 1.0
orientation: [0.6987659297138081, -0.132172211261028, -0.19693254724422338, 0.6748883269678543] O: [0.6987659297138081, -0.132172211261028, -0.19693254724422338, 0.6748883269678543]
phase: Aluminum phase: Aluminum
homogenization: SX homogenization: SX
- constituents: - constituents:
- fraction: 1.0 - fraction: 1.0
orientation: [0.7729330445886478, 0.21682179052722322, -0.5207379472917645, 0.2905078484066341] O: [0.7729330445886478, 0.21682179052722322, -0.5207379472917645, 0.2905078484066341]
phase: Aluminum phase: Aluminum
homogenization: SX homogenization: SX
phase: phase:
Aluminum: Aluminum:
elasticity: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke} elasticity: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke}
@ -117,7 +119,6 @@ phase:
h_sl_sl: [1, 1, 1.4, 1.4, 1.4, 1.4] h_sl_sl: [1, 1, 1.4, 1.4, 1.4, 1.4]
n_sl: 20 n_sl: 20
output: [xi_sl] output: [xi_sl]
type: phenopowerlaw
xi_0_sl: [31e6] xi_0_sl: [31e6]
xi_inf_sl: [63e6] xi_inf_sl: [63e6]
type: phenopowerlaw

10
src/IO.f90
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@ -427,20 +427,20 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
case (146) case (146)
msg = 'number of values does not match' msg = 'number of values does not match'
case (148) case (148)
msg = 'Nconstituents mismatch between homogenization and microstructure' msg = 'Nconstituents mismatch between homogenization and material'
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! material error messages and related messages in mesh ! material error messages and related messages in mesh
case (150) case (150)
msg = 'index out of bounds' msg = 'index out of bounds'
case (151) case (151)
msg = 'microstructure has no constituents' msg = 'material has no constituents'
case (153) case (153)
msg = 'sum of phase fractions differs from 1' msg = 'sum of phase fractions differs from 1'
case (155) case (155)
msg = 'microstructure index out of bounds' msg = 'material index out of bounds'
case (180) case (180)
msg = 'missing/invalid microstructure definition via State Variable 2' msg = 'missing/invalid material definition via State Variable 2'
case (190) case (190)
msg = 'unknown element type:' msg = 'unknown element type:'
case (191) case (191)
@ -526,7 +526,7 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
case (842) case (842)
msg = 'incomplete information in grid mesh header' msg = 'incomplete information in grid mesh header'
case (843) case (843)
msg = 'microstructure count mismatch' msg = 'material count mismatch'
case (844) case (844)
msg = 'invalid VTR file' msg = 'invalid VTR file'
case (846) case (846)

10
src/discretization.f90
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@ -15,7 +15,7 @@ module discretization
discretization_nElem discretization_nElem
integer, public, protected, dimension(:), allocatable :: & integer, public, protected, dimension(:), allocatable :: &
discretization_microstructureAt discretization_materialAt
real(pReal), public, protected, dimension(:,:), allocatable :: & real(pReal), public, protected, dimension(:,:), allocatable :: &
discretization_IPcoords0, & discretization_IPcoords0, &
@ -37,12 +37,12 @@ contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief stores the relevant information in globally accesible variables !> @brief stores the relevant information in globally accesible variables
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine discretization_init(microstructureAt,& subroutine discretization_init(materialAt,&
IPcoords0,NodeCoords0,& IPcoords0,NodeCoords0,&
sharedNodesBegin) sharedNodesBegin)
integer, dimension(:), intent(in) :: & integer, dimension(:), intent(in) :: &
microstructureAt materialAt
real(pReal), dimension(:,:), intent(in) :: & real(pReal), dimension(:,:), intent(in) :: &
IPcoords0, & IPcoords0, &
NodeCoords0 NodeCoords0
@ -51,10 +51,10 @@ subroutine discretization_init(microstructureAt,&
print'(/,a)', ' <<<+- discretization init -+>>>'; flush(6) print'(/,a)', ' <<<+- discretization init -+>>>'; flush(6)
discretization_nElem = size(microstructureAt,1) discretization_nElem = size(materialAt,1)
discretization_nIP = size(IPcoords0,2)/discretization_nElem discretization_nIP = size(IPcoords0,2)/discretization_nElem
discretization_microstructureAt = microstructureAt discretization_materialAt = materialAt
discretization_IPcoords0 = IPcoords0 discretization_IPcoords0 = IPcoords0
discretization_IPcoords = IPcoords0 discretization_IPcoords = IPcoords0

42
src/material.f90
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@ -97,7 +97,7 @@ module material
material_orientation0 !< initial orientation of each grain,IP,element material_orientation0 !< initial orientation of each grain,IP,element
integer, dimension(:), allocatable, private :: & integer, dimension(:), allocatable, private :: &
microstructure_Nconstituents !< number of constituents in each microstructure material_Nconstituents !< number of constituents in each material
@ -180,8 +180,8 @@ subroutine material_init(restart)
material_name_homogenization(myHomog) = trim(adjustl(sectionName))//material_homogenization%getKey(myHomog) material_name_homogenization(myHomog) = trim(adjustl(sectionName))//material_homogenization%getKey(myHomog)
enddo enddo
call material_parseMicrostructure call material_parseMaterial
print*, 'Microstructure parsed' print*, 'Material parsed'
call material_parseHomogenization call material_parseHomogenization
print*, 'Homogenization parsed' print*, 'Homogenization parsed'
@ -317,12 +317,12 @@ end subroutine material_parseHomogenization
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief parses the microstructure part in the material configuration file !> @brief parses the material part in the material configuration file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine material_parseMicrostructure subroutine material_parseMaterial
class(tNode), pointer :: microstructures, & !> list of microstructures class(tNode), pointer :: materials, & !> list of materials
microstructure, & !> microstructure definition material, & !> material definition
constituents, & !> list of constituents constituents, & !> list of constituents
constituent, & !> constituent definition constituent, & !> constituent definition
phases, & phases, &
@ -341,17 +341,17 @@ subroutine material_parseMicrostructure
c, & c, &
maxNconstituents maxNconstituents
microstructures => config_material%get('microstructure') materials => config_material%get('material')
if(any(discretization_microstructureAt > microstructures%length)) & if(any(discretization_materialAt > materials%length)) &
call IO_error(155,ext_msg='More microstructures requested than found in material.yaml') call IO_error(155,ext_msg='More materials requested than found in material.yaml')
allocate(microstructure_Nconstituents(microstructures%length),source=0) allocate(material_Nconstituents(materials%length),source=0)
do m = 1, microstructures%length do m = 1, materials%length
microstructure => microstructures%get(m) material => materials%get(m)
constituents => microstructure%get('constituents') constituents => material%get('constituents')
microstructure_Nconstituents(m) = constituents%length material_Nconstituents(m) = constituents%length
enddo enddo
maxNconstituents = maxval(microstructure_Nconstituents) maxNconstituents = maxval(material_Nconstituents)
allocate(material_homogenizationAt(discretization_nElem),source=0) allocate(material_homogenizationAt(discretization_nElem),source=0)
allocate(material_homogenizationMemberAt(discretization_nIP,discretization_nElem),source=0) allocate(material_homogenizationMemberAt(discretization_nIP,discretization_nElem),source=0)
@ -366,10 +366,10 @@ subroutine material_parseMicrostructure
allocate(counterHomogenization(homogenizations%length),source=0) allocate(counterHomogenization(homogenizations%length),source=0)
do e = 1, discretization_nElem do e = 1, discretization_nElem
microstructure => microstructures%get(discretization_microstructureAt(e)) material => materials%get(discretization_materialAt(e))
constituents => microstructure%get('constituents') constituents => material%get('constituents')
material_homogenizationAt(e) = homogenizations%getIndex(microstructure%get_asString('homogenization')) material_homogenizationAt(e) = homogenizations%getIndex(material%get_asString('homogenization'))
do i = 1, discretization_nIP do i = 1, discretization_nIP
counterHomogenization(material_homogenizationAt(e)) = counterHomogenization(material_homogenizationAt(e)) + 1 counterHomogenization(material_homogenizationAt(e)) = counterHomogenization(material_homogenizationAt(e)) + 1
material_homogenizationMemberAt(i,e) = counterHomogenization(material_homogenizationAt(e)) material_homogenizationMemberAt(i,e) = counterHomogenization(material_homogenizationAt(e))
@ -385,7 +385,7 @@ subroutine material_parseMicrostructure
counterPhase(material_phaseAt(c,e)) = counterPhase(material_phaseAt(c,e)) + 1 counterPhase(material_phaseAt(c,e)) = counterPhase(material_phaseAt(c,e)) + 1
material_phaseMemberAt(c,i,e) = counterPhase(material_phaseAt(c,e)) material_phaseMemberAt(c,i,e) = counterPhase(material_phaseAt(c,e))
call material_orientation0(c,i,e)%fromQuaternion(constituent%get_asFloats('orientation',requiredSize=4)) call material_orientation0(c,i,e)%fromQuaternion(constituent%get_asFloats('O',requiredSize=4))
enddo enddo
enddo enddo
@ -393,7 +393,7 @@ subroutine material_parseMicrostructure
enddo enddo
end subroutine material_parseMicrostructure end subroutine material_parseMaterial
end module material end module material

8
src/mesh/discretization_mesh.f90
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@ -78,7 +78,7 @@ subroutine discretization_mesh_init(restart)
IS :: faceSetIS IS :: faceSetIS
PetscErrorCode :: ierr PetscErrorCode :: ierr
integer, dimension(:), allocatable :: & integer, dimension(:), allocatable :: &
microstructureAt materialAt
class(tNode), pointer :: & class(tNode), pointer :: &
num_mesh num_mesh
integer :: integrationOrder !< order of quadrature rule required integer :: integrationOrder !< order of quadrature rule required
@ -164,9 +164,9 @@ subroutine discretization_mesh_init(restart)
call mesh_FEM_build_ipCoordinates(dimPlex,FEM_quadrature_points(dimPlex,integrationOrder)%p) call mesh_FEM_build_ipCoordinates(dimPlex,FEM_quadrature_points(dimPlex,integrationOrder)%p)
call mesh_FEM_build_ipVolumes(dimPlex) call mesh_FEM_build_ipVolumes(dimPlex)
allocate(microstructureAt(mesh_NcpElems)) allocate(materialAt(mesh_NcpElems))
do j = 1, mesh_NcpElems do j = 1, mesh_NcpElems
call DMGetLabelValue(geomMesh,'material',j-1,microstructureAt(j),ierr) call DMGetLabelValue(geomMesh,'material',j-1,materialAt(j),ierr)
CHKERRQ(ierr) CHKERRQ(ierr)
end do end do
@ -178,7 +178,7 @@ subroutine discretization_mesh_init(restart)
allocate(mesh_node0(3,mesh_Nnodes),source=0.0_pReal) allocate(mesh_node0(3,mesh_Nnodes),source=0.0_pReal)
call discretization_init(microstructureAt,& call discretization_init(materialAt,&
reshape(mesh_ipCoordinates,[3,mesh_maxNips*mesh_NcpElems]), & reshape(mesh_ipCoordinates,[3,mesh_maxNips*mesh_NcpElems]), &
mesh_node0) mesh_node0)