natural data structure
This commit is contained in:
Martin Diehl
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212c4296cf
commit
6d31f77deb
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@ -9,20 +9,20 @@ module discretization
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implicit none
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private
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integer, public, protected :: &
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discretization_nIPs, &
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discretization_Nelems
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integer, public, protected, dimension(:), allocatable :: &
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discretization_materialAt !ToDo: discretization_materialID
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real(pReal), public, protected, dimension(:,:), allocatable :: &
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integer, public, protected, dimension(:), allocatable :: &
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discretization_materialAt !ToDo: discretization_ID_material
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real(pReal), public, protected, dimension(:,:), allocatable :: &
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discretization_IPcoords0, &
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discretization_IPcoords, &
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discretization_NodeCoords0, &
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discretization_NodeCoords
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integer :: &
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discretization_sharedNodesBegin
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@ -33,7 +33,7 @@ module discretization
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discretization_setNodeCoords
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contains
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!--------------------------------------------------------------------------------------------------
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!> @brief stores the relevant information in globally accesible variables
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!--------------------------------------------------------------------------------------------------
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@ -54,20 +54,20 @@ subroutine discretization_init(materialAt,&
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discretization_Nelems = size(materialAt,1)
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discretization_nIPs = size(IPcoords0,2)/discretization_Nelems
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discretization_materialAt = materialAt
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discretization_materialAt = materialAt
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discretization_IPcoords0 = IPcoords0
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discretization_IPcoords = IPcoords0
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discretization_NodeCoords0 = NodeCoords0
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discretization_NodeCoords = NodeCoords0
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if(present(sharedNodesBegin)) then
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discretization_sharedNodesBegin = sharedNodesBegin
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else
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discretization_sharedNodesBegin = size(discretization_NodeCoords0,2)
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endif
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end subroutine discretization_init
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@ -77,13 +77,13 @@ end subroutine discretization_init
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subroutine discretization_results
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real(pReal), dimension(:,:), allocatable :: u
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call results_closeGroup(results_addGroup('current/geometry'))
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u = discretization_NodeCoords (1:3,:discretization_sharedNodesBegin) &
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- discretization_NodeCoords0(1:3,:discretization_sharedNodesBegin)
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call results_writeDataset('current/geometry',u,'u_n','displacements of the nodes','m')
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u = discretization_IPcoords &
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- discretization_IPcoords0
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call results_writeDataset('current/geometry',u,'u_p','displacements of the materialpoints (cell centers)','m')
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@ -97,7 +97,7 @@ end subroutine discretization_results
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subroutine discretization_setIPcoords(IPcoords)
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real(pReal), dimension(:,:), intent(in) :: IPcoords
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discretization_IPcoords = IPcoords
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end subroutine discretization_setIPcoords
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@ -109,7 +109,7 @@ end subroutine discretization_setIPcoords
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subroutine discretization_setNodeCoords(NodeCoords)
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real(pReal), dimension(:,:), intent(in) :: NodeCoords
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discretization_NodeCoords = NodeCoords
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end subroutine discretization_setNodeCoords
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@ -16,6 +16,12 @@ module material
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implicit none
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private
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type :: tRotationContainer
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type(Rotation), dimension(:), allocatable :: data
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end type
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type(tRotationContainer), dimension(:), allocatable :: material_orientation0_2
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integer, dimension(:), allocatable, public, protected :: &
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homogenization_Nconstituents !< number of grains in each homogenization
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integer, public, protected :: &
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@ -39,6 +45,8 @@ module material
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material_phaseMemberAt !< position of the element within its phase instance
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public :: &
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tRotationContainer, &
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material_orientation0_2, &
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material_init
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contains
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@ -88,7 +96,7 @@ subroutine parse()
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real(pReal) :: &
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frac
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integer :: &
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el, ip, co, &
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el, ip, co, ma, &
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h, ce
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materials => config_material%get('material')
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@ -153,6 +161,17 @@ subroutine parse()
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enddo
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allocate(material_orientation0_2(materials%length))
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do ma = 1, materials%length
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material => materials%get(ma)
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constituents => material%get('constituents')
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allocate(material_orientation0_2(ma)%data(constituents%length))
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do co = 1, constituents%length
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call material_orientation0_2(ma)%data(co)%fromQuaternion(constituent%get_as1dFloat('O',requiredSize=4))
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enddo
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enddo
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end subroutine parse
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@ -19,8 +19,9 @@ module phase
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implicit none
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private
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type(Rotation), dimension(:,:,:), allocatable :: &
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material_orientation0 !< initial orientation of each grain,IP,element
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type(tRotationContainer), dimension(:), allocatable :: &
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phase_orientation0, &
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phase_orientation
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type(rotation), dimension(:,:,:), allocatable :: &
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crystallite_orientation !< current orientation
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@ -346,7 +347,7 @@ contains
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subroutine phase_init
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integer :: &
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ph
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ph, ce, co, ma
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class (tNode), pointer :: &
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debug_constitutive, &
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materials, &
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@ -367,6 +368,25 @@ subroutine phase_init
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materials => config_material%get('material')
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phases => config_material%get('phase')
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allocate(phase_orientation0(phases%length))
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do ph = 1,phases%length
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allocate(phase_orientation0(ph)%data(count(material_phaseID==ph)))
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enddo
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do ce = 1, size(material_phaseID,2)
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ma = discretization_materialAt((ce-1)/discretization_nIPs+1)
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do co = 1,homogenization_Nconstituents(material_homogenizationID(ce))
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ph = material_phaseID(co,ce)
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phase_orientation0(ph)%data(material_phaseEntry(co,ce)) = material_orientation0_2(ma)%data(co)
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enddo
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enddo
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allocate(phase_orientation(phases%length))
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do ph = 1,phases%length
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phase_orientation(ph)%data = phase_orientation0(ph)%data
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enddo
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call mechanical_init(materials,phases)
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call damage_init
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call thermal_init(phases)
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@ -602,7 +622,7 @@ function crystallite_push33ToRef(co,ce, tensor33)
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ph = material_phaseID(co,ce)
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en = material_phaseEntry(co,ce)
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T = matmul(material_orientation0(co,ph,en)%asMatrix(),transpose(math_inv33(phase_F(co,ce)))) ! ToDo: initial orientation correct?
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T = matmul(phase_orientation0(ph)%data(en)%asMatrix(),transpose(math_inv33(phase_F(co,ce)))) ! ToDo: initial orientation correct?
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crystallite_push33ToRef = matmul(transpose(T),matmul(tensor33,T))
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@ -68,7 +68,7 @@ submodule(phase) mechanical
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dS_dFe, & !< derivative of 2nd P-K stress with respect to elastic deformation gradient
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dS_dFi !< derivative of 2nd P-K stress with respect to intermediate deformation gradient
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end subroutine phase_hooke_SandItsTangents
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module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,ph,en)
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real(pReal), dimension(3,3), intent(out) :: &
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Li !< inleastic velocity gradient
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@ -204,7 +204,6 @@ module subroutine mechanical_init(materials,phases)
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num_crystallite, &
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material, &
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constituents, &
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constituent, &
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phase, &
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mech
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@ -228,8 +227,6 @@ module subroutine mechanical_init(materials,phases)
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allocate(phase_mechanical_P(phases%length))
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allocate(phase_mechanical_S0(phases%length))
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allocate(material_orientation0(homogenization_maxNconstituents,phases%length,maxVal(material_phaseEntry)))
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do ph = 1, phases%length
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Nmembers = count(material_phaseID == ph)
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@ -260,15 +257,11 @@ module subroutine mechanical_init(materials,phases)
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do el = 1, size(material_phaseMemberAt,3); do ip = 1, size(material_phaseMemberAt,2)
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do co = 1, homogenization_Nconstituents(material_homogenizationAt(el))
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material => materials%get(discretization_materialAt(el))
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constituents => material%get('constituents')
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constituent => constituents%get(co)
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ph = material_phaseID(co,(el-1)*discretization_nIPs + ip)
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en = material_phaseEntry(co,(el-1)*discretization_nIPs + ip)
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call material_orientation0(co,ph,en)%fromQuaternion(constituent%get_as1dFloat('O',requiredSize=4))
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phase_mechanical_Fp0(ph)%data(1:3,1:3,en) = material_orientation0(co,ph,en)%asMatrix() ! Fp reflects initial orientation (see 10.1016/j.actamat.2006.01.005)
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phase_mechanical_Fp0(ph)%data(1:3,1:3,en) = phase_orientation0(ph)%data(en)%asMatrix() ! Fp reflects initial orientation (see 10.1016/j.actamat.2006.01.005)
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phase_mechanical_Fp0(ph)%data(1:3,1:3,en) = phase_mechanical_Fp0(ph)%data(1:3,1:3,en) &
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/ math_det33(phase_mechanical_Fp0(ph)%data(1:3,1:3,en))**(1.0_pReal/3.0_pReal)
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phase_mechanical_Fi0(ph)%data(1:3,1:3,en) = math_I3
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@ -1450,8 +1450,8 @@ module subroutine plastic_nonlocal_updateCompatibility(orientation,ph,i,e)
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elseif (prm%chi_GB >= 0.0_pReal) then
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!* GRAIN BOUNDARY !
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!* fixed transmissivity for adjacent ips with different texture (only if explicitly given in material.config)
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if (any(dNeq(material_orientation0(1,ph,en)%asQuaternion(), &
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material_orientation0(1,neighbor_phase,neighbor_me)%asQuaternion())) .and. &
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if (any(dNeq(phase_orientation0(ph)%data(en)%asQuaternion(), &
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phase_orientation0(neighbor_phase)%data(neighbor_me)%asQuaternion())) .and. &
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(.not. phase_localPlasticity(neighbor_phase))) &
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forall(s1 = 1:ns) my_compatibility(:,s1,s1,n) = sqrt(prm%chi_GB)
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else
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