951 lines
49 KiB
Fortran
951 lines
49 KiB
Fortran
! Copyright 2011-13 Max-Planck-Institut für Eisenforschung GmbH
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!
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! This file is part of DAMASK,
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! the Düsseldorf Advanced MAterial Simulation Kit.
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!
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! DAMASK is free software: you can redistribute it and/or modify
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! it under the terms of the GNU General Public License as published by
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! the Free Software Foundation, either version 3 of the License, or
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! (at your option) any later version.
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!
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! DAMASK is distributed in the hope that it will be useful,
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! but WITHOUT ANY WARRANTY; without even the implied warranty of
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! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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! GNU General Public License for more details.
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!
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! You should have received a copy of the GNU General Public License
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! along with DAMASK. If not, see <http://www.gnu.org/licenses/>.
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!
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!--------------------------------------------------------------------------------------------------
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!* $Id$
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!--------------------------------------------------------------------------------------------------
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!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
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!! Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
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!> @brief Parses material config file, either solverJobName.materialConfig or material.config
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!> @details reads the material configuration file, where solverJobName.materialConfig takes
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!! precedence over material.config and parses the sections 'homogenization', 'crystallite',
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!! 'phase', 'texture', and 'microstucture'
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!--------------------------------------------------------------------------------------------------
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module material
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use prec, only: &
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pReal, &
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pInt, &
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p_intvec
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implicit none
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private
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character(len=64), parameter, public :: &
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material_configFile = 'material.config', & !< generic name for material configuration file
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material_localFileExt = 'materialConfig' !< extension of solver job name depending material configuration file
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character(len=32), parameter, public :: &
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material_partHomogenization = 'homogenization', & !< keyword for homogenization part
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material_partCrystallite = 'crystallite', & !< keyword for crystallite part
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material_partPhase = 'phase' !< keyword for phase part
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character(len=64), dimension(:), allocatable, public, protected :: &
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phase_elasticity, & !< elasticity of each phase
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phase_plasticity, & !< plasticity of each phase
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phase_name, & !< name of each phase
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homogenization_name, & !< name of each homogenization
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homogenization_type, & !< type of each homogenization
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crystallite_name !< name of each crystallite setting
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integer(pInt), public, protected :: &
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homogenization_maxNgrains, & !< max number of grains in any USED homogenization
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material_Nphase, & !< number of phases
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material_Nhomogenization, & !< number of homogenizations
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material_Nmicrostructure, & !< number of microstructures
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material_Ncrystallite !< number of crystallite settings
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integer(pInt), dimension(:), allocatable, public, protected :: &
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homogenization_Ngrains, & !< number of grains in each homogenization
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homogenization_Noutput, & !< number of '(output)' items per homogenization
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phase_Noutput, & !< number of '(output)' items per phase
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phase_elasticityInstance, & !< instance of particular elasticity of each phase
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phase_plasticityInstance, & !< instance of particular plasticity of each phase
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crystallite_Noutput, & !< number of '(output)' items per crystallite setting
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homogenization_typeInstance, & !< instance of particular type of each homogenization
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microstructure_crystallite !< crystallite setting ID of each microstructure
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integer(pInt), dimension(:,:,:), allocatable, public:: &
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material_phase !< phase (index) of each grain,IP,element
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integer(pInt), dimension(:,:,:), allocatable, public, protected :: &
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material_texture !< texture (index) of each grain,IP,element
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real(pReal), dimension(:,:,:,:), allocatable, public, protected :: &
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material_EulerAngles !< initial orientation of each grain,IP,element
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logical, dimension(:), allocatable, public, protected :: &
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microstructure_active, &
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microstructure_elemhomo, & !< flag to indicate homogeneous microstructure distribution over element's IPs
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phase_localPlasticity !< flags phases with local constitutive law
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character(len=32), parameter, private :: &
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material_partMicrostructure = 'microstructure', & !< keyword for microstructure part
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material_partTexture = 'texture' !< keyword for texture part
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character(len=64), dimension(:), allocatable, private :: &
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microstructure_name, & !< name of each microstructure
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texture_name !< name of each texture
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character(len=256), dimension(:), allocatable, private :: &
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texture_ODFfile !< name of each ODF file
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integer(pInt), private :: &
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material_Ntexture, & !< number of textures
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microstructure_maxNconstituents, & !< max number of constituents in any phase
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texture_maxNgauss, & !< max number of Gauss components in any texture
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texture_maxNfiber !< max number of Fiber components in any texture
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integer(pInt), dimension(:), allocatable, private :: &
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microstructure_Nconstituents, & !< number of constituents in each microstructure
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texture_symmetry, & !< number of symmetric orientations per texture
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texture_Ngauss, & !< number of Gauss components per texture
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texture_Nfiber !< number of Fiber components per texture
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integer(pInt), dimension(:,:), allocatable, private :: &
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microstructure_phase, & !< phase IDs of each microstructure
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microstructure_texture !< texture IDs of each microstructure
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real(pReal), dimension(:,:), allocatable, private :: &
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microstructure_fraction !< vol fraction of each constituent in microstructure
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real(pReal), dimension(:,:,:), allocatable, private :: &
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material_volume, & !< volume of each grain,IP,element
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texture_Gauss, & !< data of each Gauss component
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texture_Fiber !< data of each Fiber component
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logical, dimension(:), allocatable, private :: &
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homogenization_active
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public :: material_init
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private :: material_parseHomogenization, &
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material_parseMicrostructure, &
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material_parseCrystallite, &
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material_parsePhase, &
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material_parseTexture, &
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material_populateGrains
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contains
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!--------------------------------------------------------------------------------------------------
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!> @brief parses material configuration file
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!> @details figures out if solverJobName.materialConfig is present, if not looks for
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!> material.config
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!--------------------------------------------------------------------------------------------------
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subroutine material_init
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use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
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use IO, only: &
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IO_error, &
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IO_open_file, &
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IO_open_jobFile_stat, &
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IO_timeStamp
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use debug, only: &
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debug_level, &
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debug_material, &
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debug_levelBasic, &
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debug_levelExtensive
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implicit none
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integer(pInt), parameter :: fileunit = 200_pInt
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integer(pInt) :: i,j, myDebug
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myDebug = debug_level(debug_material)
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write(6,'(/,a)') ' <<<+- material init -+>>>'
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write(6,'(a)') ' $Id$'
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write(6,'(a16,a)') ' Current time : ',IO_timeStamp()
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#include "compilation_info.f90"
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if (.not. IO_open_jobFile_stat(fileunit,material_localFileExt)) then ! no local material configuration present...
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call IO_open_file(fileunit,material_configFile) ! ...open material.config file
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endif
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call material_parseHomogenization(fileunit,material_partHomogenization)
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if (iand(myDebug,debug_levelBasic) /= 0_pInt) then
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write(6,*) 'Homogenization parsed'
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endif
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call material_parseMicrostructure(fileunit,material_partMicrostructure)
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if (iand(myDebug,debug_levelBasic) /= 0_pInt) then
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write(6,*) 'Microstructure parsed'
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endif
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call material_parseCrystallite(fileunit,material_partCrystallite)
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if (iand(myDebug,debug_levelBasic) /= 0_pInt) then
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write(6,*) 'Crystallite parsed'
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endif
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call material_parseTexture(fileunit,material_partTexture)
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if (iand(myDebug,debug_levelBasic) /= 0_pInt) then
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write(6,*) 'Texture parsed'
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endif
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call material_parsePhase(fileunit,material_partPhase)
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if (iand(myDebug,debug_levelBasic) /= 0_pInt) then
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write(6,*) 'Phase parsed'
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endif
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close(fileunit)
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do i = 1_pInt,material_Nmicrostructure
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if (microstructure_crystallite(i) < 1_pInt .or. &
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microstructure_crystallite(i) > material_Ncrystallite) call IO_error(150_pInt,i)
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if (minval(microstructure_phase(1:microstructure_Nconstituents(i),i)) < 1_pInt .or. &
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maxval(microstructure_phase(1:microstructure_Nconstituents(i),i)) > material_Nphase) call IO_error(151_pInt,i)
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if (minval(microstructure_texture(1:microstructure_Nconstituents(i),i)) < 1_pInt .or. &
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maxval(microstructure_texture(1:microstructure_Nconstituents(i),i)) > material_Ntexture) call IO_error(152_pInt,i)
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if (abs(sum(microstructure_fraction(:,i)) - 1.0_pReal) >= 1.0e-10_pReal) then
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if (iand(myDebug,debug_levelExtensive) /= 0_pInt) then
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write(6,*)'sum of microstructure fraction = ',sum(microstructure_fraction(:,i))
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endif
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call IO_error(153_pInt,i)
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endif
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enddo
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if (iand(myDebug,debug_levelExtensive) /= 0_pInt) then
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write(6,'(/,a,/)') ' MATERIAL configuration'
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write(6,'(a32,1x,a16,1x,a6)') 'homogenization ','type ','grains'
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do i = 1_pInt,material_Nhomogenization
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write(6,'(1x,a32,1x,a16,1x,i4)') homogenization_name(i),homogenization_type(i),homogenization_Ngrains(i)
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enddo
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write(6,*)
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write(6,'(a32,1x,a11,1x,a12,1x,a13)') 'microstructure ','crystallite','constituents','homogeneous'
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do i = 1_pInt,material_Nmicrostructure
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write(6,'(a32,4x,i4,8x,i4,8x,l1)') microstructure_name(i), &
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microstructure_crystallite(i), &
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microstructure_Nconstituents(i), &
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microstructure_elemhomo(i)
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if (microstructure_Nconstituents(i) > 0_pInt) then
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do j = 1_pInt,microstructure_Nconstituents(i)
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write(6,'(a1,1x,a32,1x,a32,1x,f7.4)') '>',phase_name(microstructure_phase(j,i)),&
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texture_name(microstructure_texture(j,i)),&
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microstructure_fraction(j,i)
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enddo
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write(6,*)
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endif
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enddo
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endif
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call material_populateGrains
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end subroutine material_init
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!--------------------------------------------------------------------------------------------------
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!> @brief parses the homogenization part in the material configuration file
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!--------------------------------------------------------------------------------------------------
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subroutine material_parseHomogenization(myFile,myPart)
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use IO
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use mesh, only: &
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mesh_element
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implicit none
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character(len=*), intent(in) :: myPart
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integer(pInt), intent(in) :: myFile
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integer(pInt), parameter :: maxNchunks = 2_pInt
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integer(pInt), dimension(1+2*maxNchunks) :: positions
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integer(pInt) Nsections, section, s
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character(len=64) :: tag
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character(len=1024) :: line
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logical :: echo
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echo = IO_globalTagInPart(myFile,myPart,'/echo/')
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Nsections = IO_countSections(myFile,myPart)
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material_Nhomogenization = Nsections
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if (Nsections < 1_pInt) call IO_error(160_pInt,ext_msg=myPart)
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allocate(homogenization_name(Nsections)); homogenization_name = ''
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allocate(homogenization_type(Nsections)); homogenization_type = ''
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allocate(homogenization_typeInstance(Nsections)); homogenization_typeInstance = 0_pInt
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allocate(homogenization_Ngrains(Nsections)); homogenization_Ngrains = 0_pInt
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allocate(homogenization_Noutput(Nsections)); homogenization_Noutput = 0_pInt
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allocate(homogenization_active(Nsections)); homogenization_active = .false.
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forall (s = 1_pInt:Nsections) homogenization_active(s) = any(mesh_element(3,:) == s) ! current homogenization used in model? Homogenization view, maximum operations depend on maximum number of homog schemes
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homogenization_Noutput = IO_countTagInPart(myFile,myPart,'(output)',Nsections)
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rewind(myFile)
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line = ''
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section = 0_pInt
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do while (IO_lc(IO_getTag(line,'<','>')) /= myPart) ! wind forward to myPart
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read(myFile,'(a1024)',END=100) line
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enddo
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if (echo) write(6,*) trim(line) ! echo part header
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do
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read(myFile,'(a1024)',END=100) line
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if (IO_isBlank(line)) cycle ! skip empty lines
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if (IO_getTag(line,'<','>') /= '') exit ! stop at next part
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if (echo) write(6,*) trim(line) ! echo back read lines
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if (IO_getTag(line,'[',']') /= '') then ! next section
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section = section + 1_pInt
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homogenization_name(section) = IO_getTag(line,'[',']')
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endif
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if (section > 0_pInt) then
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positions = IO_stringPos(line,maxNchunks)
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tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
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select case(tag)
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case ('type')
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homogenization_type(section) = IO_lc(IO_stringValue(line,positions,2_pInt)) ! adding: IO_lc function
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do s = 1_pInt,section
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if (homogenization_type(s) == homogenization_type(section)) &
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homogenization_typeInstance(section) = homogenization_typeInstance(section) + 1_pInt ! count instances
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enddo
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case ('ngrains')
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homogenization_Ngrains(section) = IO_intValue(line,positions,2_pInt)
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end select
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endif
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enddo
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100 homogenization_maxNgrains = maxval(homogenization_Ngrains,homogenization_active)
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end subroutine material_parseHomogenization
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!--------------------------------------------------------------------------------------------------
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!> @brief parses the microstructure part in the material configuration file
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!--------------------------------------------------------------------------------------------------
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subroutine material_parseMicrostructure(myFile,myPart)
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use IO
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use mesh, only: &
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mesh_element, &
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mesh_NcpElems
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implicit none
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character(len=*), intent(in) :: myPart
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integer(pInt), intent(in) :: myFile
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integer(pInt), parameter :: maxNchunks = 7_pInt
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integer(pInt), dimension(1_pInt+2_pInt*maxNchunks) :: positions
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integer(pInt) :: Nsections, section, constituent, e, i
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character(len=64) :: tag
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character(len=1024) :: line
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logical :: echo
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echo = IO_globalTagInPart(myFile,myPart,'/echo/')
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Nsections = IO_countSections(myFile,myPart)
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material_Nmicrostructure = Nsections
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if (Nsections < 1_pInt) call IO_error(160_pInt,ext_msg=myPart)
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allocate(microstructure_name(Nsections)); microstructure_name = ''
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allocate(microstructure_crystallite(Nsections)); microstructure_crystallite = 0_pInt
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allocate(microstructure_Nconstituents(Nsections))
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allocate(microstructure_active(Nsections))
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allocate(microstructure_elemhomo(Nsections))
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forall (e = 1_pInt:mesh_NcpElems) microstructure_active(mesh_element(4,e)) = .true. ! current microstructure used in model? Elementwise view, maximum N operations for N elements
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microstructure_Nconstituents = IO_countTagInPart(myFile,myPart,'(constituent)',Nsections)
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microstructure_maxNconstituents = maxval(microstructure_Nconstituents)
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microstructure_elemhomo = IO_spotTagInPart(myFile,myPart,'/elementhomogeneous/',Nsections)
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allocate(microstructure_phase (microstructure_maxNconstituents,Nsections))
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microstructure_phase = 0_pInt
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allocate(microstructure_texture (microstructure_maxNconstituents,Nsections))
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microstructure_texture = 0_pInt
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allocate(microstructure_fraction(microstructure_maxNconstituents,Nsections))
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microstructure_fraction = 0.0_pReal
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rewind(myFile)
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line = ''
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section = 0_pInt
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do while (IO_lc(IO_getTag(line,'<','>')) /= myPart) ! wind forward to myPart
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read(myFile,'(a1024)',END=100) line
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enddo
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if (echo) write(6,*) trim(line) ! echo part header
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do
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read(myFile,'(a1024)',END=100) line
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if (IO_isBlank(line)) cycle ! skip empty lines
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if (IO_getTag(line,'<','>') /= '') exit ! stop at next part
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if (echo) write(6,*) trim(line) ! echo back read lines
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if (IO_getTag(line,'[',']') /= '') then ! next section
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section = section + 1_pInt
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constituent = 0_pInt
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microstructure_name(section) = IO_getTag(line,'[',']')
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endif
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if (section > 0_pInt) then
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positions = IO_stringPos(line,maxNchunks)
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tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
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select case(tag)
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case ('crystallite')
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microstructure_crystallite(section) = IO_intValue(line,positions,2_pInt)
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case ('(constituent)')
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constituent = constituent + 1_pInt
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do i=2_pInt,6_pInt,2_pInt
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tag = IO_lc(IO_stringValue(line,positions,i))
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select case (tag)
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case('phase')
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microstructure_phase(constituent,section) = IO_intValue(line,positions,i+1_pInt)
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case('texture')
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microstructure_texture(constituent,section) = IO_intValue(line,positions,i+1_pInt)
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case('fraction')
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microstructure_fraction(constituent,section) = IO_floatValue(line,positions,i+1_pInt)
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end select
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enddo
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end select
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endif
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enddo
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100 end subroutine material_parseMicrostructure
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!--------------------------------------------------------------------------------------------------
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!> @brief parses the crystallite part in the material configuration file
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!--------------------------------------------------------------------------------------------------
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subroutine material_parseCrystallite(myFile,myPart)
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use IO, only: &
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IO_countSections, &
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IO_error, &
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IO_countTagInPart, &
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IO_globalTagInPart, &
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IO_getTag, &
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IO_lc, &
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IO_isBlank
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implicit none
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character(len=*), intent(in) :: myPart
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integer(pInt), intent(in) :: myFile
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integer(pInt) :: Nsections, &
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section
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character(len=1024) :: line
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logical :: echo
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echo = IO_globalTagInPart(myFile,myPart,'/echo/')
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Nsections = IO_countSections(myFile,myPart)
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material_Ncrystallite = Nsections
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if (Nsections < 1_pInt) call IO_error(160_pInt,ext_msg=myPart)
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allocate(crystallite_name(Nsections)); crystallite_name = ''
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allocate(crystallite_Noutput(Nsections)); crystallite_Noutput = 0_pInt
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crystallite_Noutput = IO_countTagInPart(myFile,myPart,'(output)',Nsections)
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rewind(myFile)
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line = ''
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section = 0_pInt
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do while (IO_lc(IO_getTag(line,'<','>')) /= myPart) ! wind forward to myPart
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read(myFile,'(a1024)',END=100) line
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enddo
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if (echo) write(6,*) trim(line) ! echo part header
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do
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read(myFile,'(a1024)',END=100) line
|
|
if (IO_isBlank(line)) cycle ! skip empty lines
|
|
if (IO_getTag(line,'<','>') /= '') exit ! stop at next part
|
|
if (echo) write(6,*) trim(line) ! echo back read lines
|
|
if (IO_getTag(line,'[',']') /= '') then ! next section
|
|
section = section + 1_pInt
|
|
crystallite_name(section) = IO_getTag(line,'[',']')
|
|
endif
|
|
enddo
|
|
|
|
100 end subroutine material_parseCrystallite
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief parses the phase part in the material configuration file
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine material_parsePhase(myFile,myPart)
|
|
use IO
|
|
|
|
implicit none
|
|
character(len=*), intent(in) :: myPart
|
|
integer(pInt), intent(in) :: myFile
|
|
|
|
integer(pInt), parameter :: maxNchunks = 2_pInt
|
|
|
|
integer(pInt), dimension(1+2*maxNchunks) :: positions
|
|
integer(pInt) Nsections, section, s
|
|
character(len=64) :: tag
|
|
character(len=1024) :: line
|
|
logical :: echo
|
|
|
|
echo = IO_globalTagInPart(myFile,myPart,'/echo/')
|
|
|
|
Nsections = IO_countSections(myFile,myPart)
|
|
material_Nphase = Nsections
|
|
if (Nsections < 1_pInt) call IO_error(160_pInt,ext_msg=myPart)
|
|
|
|
allocate(phase_name(Nsections)); phase_name = ''
|
|
allocate(phase_elasticity(Nsections)); phase_elasticity = ''
|
|
allocate(phase_elasticityInstance(Nsections)); phase_elasticityInstance = 0_pInt
|
|
allocate(phase_plasticity(Nsections)); phase_plasticity = ''
|
|
allocate(phase_plasticityInstance(Nsections)); phase_plasticityInstance = 0_pInt
|
|
allocate(phase_Noutput(Nsections))
|
|
allocate(phase_localPlasticity(Nsections))
|
|
|
|
phase_Noutput = IO_countTagInPart(myFile,myPart,'(output)',Nsections)
|
|
phase_localPlasticity = .not. IO_spotTagInPart(myFile,myPart,'/nonlocal/',Nsections)
|
|
|
|
rewind(myFile)
|
|
line = ''
|
|
section = 0_pInt
|
|
|
|
do while (IO_lc(IO_getTag(line,'<','>')) /= myPart) ! wind forward to myPart
|
|
read(myFile,'(a1024)',END=100) line
|
|
enddo
|
|
if (echo) write(6,*) trim(line) ! echo part header
|
|
|
|
do
|
|
read(myFile,'(a1024)',END=100) line
|
|
if (IO_isBlank(line)) cycle ! skip empty lines
|
|
if (IO_getTag(line,'<','>') /= '') exit ! stop at next part
|
|
if (echo) write(6,*) trim(line) ! echo back read lines
|
|
if (IO_getTag(line,'[',']') /= '') then ! next section
|
|
section = section + 1_pInt
|
|
phase_name(section) = IO_getTag(line,'[',']')
|
|
endif
|
|
if (section > 0_pInt) then
|
|
positions = IO_stringPos(line,maxNchunks)
|
|
tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
|
|
select case(tag)
|
|
case ('elasticity')
|
|
phase_elasticity(section) = IO_lc(IO_stringValue(line,positions,2_pInt))
|
|
do s = 1_pInt,section
|
|
if (phase_elasticity(s) == phase_elasticity(section)) &
|
|
phase_elasticityInstance(section) = phase_elasticityInstance(section) + 1_pInt ! count instances
|
|
enddo
|
|
case ('plasticity')
|
|
phase_plasticity(section) = IO_lc(IO_stringValue(line,positions,2_pInt))
|
|
do s = 1_pInt,section
|
|
if (phase_plasticity(s) == phase_plasticity(section)) &
|
|
phase_plasticityInstance(section) = phase_plasticityInstance(section) + 1_pInt ! count instances
|
|
enddo
|
|
end select
|
|
endif
|
|
enddo
|
|
|
|
100 end subroutine material_parsePhase
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief parses the texture part in the material configuration file
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine material_parseTexture(myFile,myPart)
|
|
use IO
|
|
use math, only: &
|
|
inRad, &
|
|
math_sampleRandomOri
|
|
|
|
implicit none
|
|
character(len=*), intent(in) :: myPart
|
|
integer(pInt), intent(in) :: myFile
|
|
|
|
integer(pInt), parameter :: maxNchunks = 13_pInt
|
|
|
|
integer(pInt), dimension(1+2*maxNchunks) :: positions
|
|
integer(pInt) :: Nsections, section, gauss, fiber, i
|
|
character(len=64) :: tag
|
|
character(len=1024) :: line
|
|
logical :: echo
|
|
|
|
echo = IO_globalTagInPart(myFile,myPart,'/echo/')
|
|
|
|
Nsections = IO_countSections(myFile,myPart)
|
|
material_Ntexture = Nsections
|
|
if (Nsections < 1_pInt) call IO_error(160_pInt,ext_msg=myPart)
|
|
|
|
allocate(texture_name(Nsections)); texture_name = ''
|
|
allocate(texture_ODFfile(Nsections)); texture_ODFfile = ''
|
|
allocate(texture_symmetry(Nsections)); texture_symmetry = 1_pInt
|
|
allocate(texture_Ngauss(Nsections)); texture_Ngauss = 0_pInt
|
|
allocate(texture_Nfiber(Nsections)); texture_Nfiber = 0_pInt
|
|
|
|
texture_Ngauss = IO_countTagInPart(myFile,myPart,'(gauss)', Nsections) + &
|
|
IO_countTagInPart(myFile,myPart,'(random)',Nsections)
|
|
texture_Nfiber = IO_countTagInPart(myFile,myPart,'(fiber)', Nsections)
|
|
texture_maxNgauss = maxval(texture_Ngauss)
|
|
texture_maxNfiber = maxval(texture_Nfiber)
|
|
allocate(texture_Gauss (5,texture_maxNgauss,Nsections)); texture_Gauss = 0.0_pReal
|
|
allocate(texture_Fiber (6,texture_maxNfiber,Nsections)); texture_Fiber = 0.0_pReal
|
|
|
|
rewind(myFile)
|
|
line = ''
|
|
section = 0_pInt
|
|
|
|
do while (IO_lc(IO_getTag(line,'<','>')) /= myPart) ! wind forward to myPart
|
|
read(myFile,'(a1024)',END=100) line
|
|
enddo
|
|
if (echo) write(6,*) trim(line) ! echo part header
|
|
|
|
do
|
|
read(myFile,'(a1024)',END=100) line
|
|
if (IO_isBlank(line)) cycle ! skip empty lines
|
|
if (IO_getTag(line,'<','>') /= '') exit ! stop at next part
|
|
if (echo) write(6,*) trim(line) ! echo back read lines
|
|
if (IO_getTag(line,'[',']') /= '') then ! next section
|
|
section = section + 1_pInt
|
|
gauss = 0_pInt
|
|
fiber = 0_pInt
|
|
texture_name(section) = IO_getTag(line,'[',']')
|
|
endif
|
|
if (section > 0_pInt) then
|
|
positions = IO_stringPos(line,maxNchunks)
|
|
tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
|
|
select case(tag)
|
|
|
|
case ('hybridia')
|
|
texture_ODFfile(section) = IO_stringValue(line,positions,2_pInt)
|
|
|
|
case ('symmetry')
|
|
tag = IO_lc(IO_stringValue(line,positions,2_pInt))
|
|
select case (tag)
|
|
case('orthotropic')
|
|
texture_symmetry(section) = 4_pInt
|
|
case('monoclinic')
|
|
texture_symmetry(section) = 2_pInt
|
|
case default
|
|
texture_symmetry(section) = 1_pInt
|
|
end select
|
|
|
|
case ('(random)')
|
|
gauss = gauss + 1_pInt
|
|
texture_Gauss(1:3,gauss,section) = math_sampleRandomOri()
|
|
do i = 2_pInt,4_pInt,2_pInt
|
|
tag = IO_lc(IO_stringValue(line,positions,i))
|
|
select case (tag)
|
|
case('scatter')
|
|
texture_Gauss(4,gauss,section) = IO_floatValue(line,positions,i+1_pInt)*inRad
|
|
case('fraction')
|
|
texture_Gauss(5,gauss,section) = IO_floatValue(line,positions,i+1_pInt)
|
|
end select
|
|
enddo
|
|
|
|
case ('(gauss)')
|
|
gauss = gauss + 1_pInt
|
|
do i = 2_pInt,10_pInt,2_pInt
|
|
tag = IO_lc(IO_stringValue(line,positions,i))
|
|
select case (tag)
|
|
case('phi1')
|
|
texture_Gauss(1,gauss,section) = IO_floatValue(line,positions,i+1_pInt)*inRad
|
|
case('phi')
|
|
texture_Gauss(2,gauss,section) = IO_floatValue(line,positions,i+1_pInt)*inRad
|
|
case('phi2')
|
|
texture_Gauss(3,gauss,section) = IO_floatValue(line,positions,i+1_pInt)*inRad
|
|
case('scatter')
|
|
texture_Gauss(4,gauss,section) = IO_floatValue(line,positions,i+1_pInt)*inRad
|
|
case('fraction')
|
|
texture_Gauss(5,gauss,section) = IO_floatValue(line,positions,i+1_pInt)
|
|
end select
|
|
enddo
|
|
|
|
case ('(fiber)')
|
|
fiber = fiber + 1_pInt
|
|
do i = 2_pInt,12_pInt,2_pInt
|
|
tag = IO_lc(IO_stringValue(line,positions,i))
|
|
select case (tag)
|
|
case('alpha1')
|
|
texture_Fiber(1,fiber,section) = IO_floatValue(line,positions,i+1_pInt)*inRad
|
|
case('alpha2')
|
|
texture_Fiber(2,fiber,section) = IO_floatValue(line,positions,i+1_pInt)*inRad
|
|
case('beta1')
|
|
texture_Fiber(3,fiber,section) = IO_floatValue(line,positions,i+1_pInt)*inRad
|
|
case('beta2')
|
|
texture_Fiber(4,fiber,section) = IO_floatValue(line,positions,i+1_pInt)*inRad
|
|
case('scatter')
|
|
texture_Fiber(5,fiber,section) = IO_floatValue(line,positions,i+1_pInt)*inRad
|
|
case('fraction')
|
|
texture_Fiber(6,fiber,section) = IO_floatValue(line,positions,i+1_pInt)
|
|
end select
|
|
enddo
|
|
|
|
end select
|
|
endif
|
|
enddo
|
|
|
|
100 end subroutine material_parseTexture
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief populates the grains
|
|
!> @details populates the grains by identifying active microstructure/homogenization pairs,
|
|
!! calculates the volume of the grains and deals with texture components and hybridIA
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine material_populateGrains
|
|
use math, only: &
|
|
math_sampleRandomOri, &
|
|
math_sampleGaussOri, &
|
|
math_sampleFiberOri, &
|
|
math_symmetricEulers
|
|
use mesh, only: &
|
|
mesh_element, &
|
|
mesh_maxNips, &
|
|
mesh_NcpElems, &
|
|
mesh_ipVolume, &
|
|
FE_Nips, &
|
|
FE_geomtype
|
|
use IO, only: &
|
|
IO_error, &
|
|
IO_hybridIA
|
|
use FEsolving, only: &
|
|
FEsolving_execIP
|
|
use debug, only: &
|
|
debug_level, &
|
|
debug_material, &
|
|
debug_levelBasic
|
|
|
|
implicit none
|
|
integer(pInt), dimension (:,:), allocatable :: Ngrains
|
|
integer(pInt), dimension (microstructure_maxNconstituents) &
|
|
:: NgrainsOfConstituent
|
|
real(pReal), dimension (:), allocatable :: volumeOfGrain
|
|
real(pReal), dimension (:,:), allocatable :: orientationOfGrain
|
|
real(pReal), dimension (3) :: orientation
|
|
real(pReal), dimension (3,3) :: symOrientation
|
|
integer(pInt), dimension (:), allocatable :: phaseOfGrain, textureOfGrain
|
|
integer(pInt) :: t,e,i,g,j,m,homog,micro,sgn,hme, myDebug
|
|
integer(pInt) :: phaseID,textureID,dGrains,myNgrains,myNorientations, &
|
|
grain,constituentGrain,symExtension
|
|
real(pReal) :: extreme,rnd
|
|
integer(pInt), dimension (:,:), allocatable :: Nelems ! counts number of elements in homog, micro array
|
|
type(p_intvec), dimension (:,:), allocatable :: elemsOfHomogMicro ! lists element number in homog, micro array
|
|
|
|
myDebug = debug_level(debug_material)
|
|
|
|
allocate(material_volume(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems)) ; material_volume = 0.0_pReal
|
|
allocate(material_phase(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems)) ; material_phase = 0_pInt
|
|
allocate(material_texture(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems)) ; material_texture = 0_pInt
|
|
allocate(material_EulerAngles(3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems)) ; material_EulerAngles = 0.0_pReal
|
|
|
|
allocate(Ngrains(material_Nhomogenization,material_Nmicrostructure)); Ngrains = 0_pInt
|
|
allocate(Nelems(material_Nhomogenization,material_Nmicrostructure)); Nelems = 0_pInt
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! precounting of elements for each homog/micro pair
|
|
do e = 1_pInt, mesh_NcpElems
|
|
homog = mesh_element(3,e)
|
|
micro = mesh_element(4,e)
|
|
Nelems(homog,micro) = Nelems(homog,micro) + 1_pInt
|
|
enddo
|
|
allocate(elemsOfHomogMicro(material_Nhomogenization,material_Nmicrostructure))
|
|
do homog = 1,material_Nhomogenization
|
|
do micro = 1,material_Nmicrostructure
|
|
if (Nelems(homog,micro) > 0_pInt) then
|
|
allocate(elemsOfHomogMicro(homog,micro)%p(Nelems(homog,micro)))
|
|
elemsOfHomogMicro(homog,micro)%p = 0_pInt
|
|
endif
|
|
enddo
|
|
enddo
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! identify maximum grain count per IP (from element) and find grains per homog/micro pair
|
|
Nelems = 0_pInt ! reuse as counter
|
|
do e = 1_pInt,mesh_NcpElems
|
|
t = FE_geomtype(mesh_element(2,e))
|
|
homog = mesh_element(3,e)
|
|
micro = mesh_element(4,e)
|
|
if (homog < 1_pInt .or. homog > material_Nhomogenization) & ! out of bounds
|
|
call IO_error(154_pInt,e,0_pInt,0_pInt)
|
|
if (micro < 1_pInt .or. micro > material_Nmicrostructure) & ! out of bounds
|
|
call IO_error(155_pInt,e,0_pInt,0_pInt)
|
|
if (microstructure_elemhomo(micro)) then
|
|
dGrains = homogenization_Ngrains(homog)
|
|
else
|
|
dGrains = homogenization_Ngrains(homog) * FE_Nips(t)
|
|
endif
|
|
Ngrains(homog,micro) = Ngrains(homog,micro) + dGrains
|
|
Nelems(homog,micro) = Nelems(homog,micro) + 1_pInt
|
|
elemsOfHomogMicro(homog,micro)%p(Nelems(homog,micro)) = e ! remember elements active in this homog/micro pair
|
|
|
|
enddo
|
|
allocate(volumeOfGrain(maxval(Ngrains))) ! reserve memory for maximum case
|
|
allocate(phaseOfGrain(maxval(Ngrains))) ! reserve memory for maximum case
|
|
allocate(textureOfGrain(maxval(Ngrains))) ! reserve memory for maximum case
|
|
allocate(orientationOfGrain(3,maxval(Ngrains))) ! reserve memory for maximum case
|
|
|
|
if (iand(myDebug,debug_levelBasic) /= 0_pInt) then
|
|
!$OMP CRITICAL (write2out)
|
|
write(6,*)
|
|
write(6,*) 'MATERIAL grain population'
|
|
write(6,*)
|
|
write(6,'(a32,1x,a32,1x,a6)') 'homogenization_name','microstructure_name','grain#'
|
|
!$OMP END CRITICAL (write2out)
|
|
endif
|
|
do homog = 1_pInt,material_Nhomogenization ! loop over homogenizations
|
|
dGrains = homogenization_Ngrains(homog) ! grain number per material point
|
|
do micro = 1_pInt,material_Nmicrostructure ! all pairs of homog and micro
|
|
if (Ngrains(homog,micro) > 0_pInt) then ! an active pair of homog and micro
|
|
myNgrains = Ngrains(homog,micro) ! assign short name for total number of grains to populate
|
|
if (iand(myDebug,debug_levelBasic) /= 0_pInt) then
|
|
!$OMP CRITICAL (write2out)
|
|
write(6,*)
|
|
write(6,'(a32,1x,a32,1x,i6)') homogenization_name(homog),microstructure_name(micro),myNgrains
|
|
!$OMP END CRITICAL (write2out)
|
|
endif
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! calculate volume of each grain
|
|
volumeOfGrain = 0.0_pReal
|
|
grain = 0_pInt
|
|
do hme = 1_pInt, Nelems(homog,micro)
|
|
e = elemsOfHomogMicro(homog,micro)%p(hme) ! my combination of homog and micro, only perform calculations for elements with homog, micro combinations which is indexed in cpElemsindex
|
|
t = FE_geomtype(mesh_element(2,e))
|
|
if (microstructure_elemhomo(micro)) then ! homogeneous distribution of grains over each element's IPs
|
|
volumeOfGrain(grain+1_pInt:grain+dGrains) = sum(mesh_ipVolume(1:FE_Nips(t),e))/&
|
|
real(dGrains,pReal)
|
|
grain = grain + dGrains ! wind forward by NgrainsPerIP
|
|
else
|
|
forall (i = 1_pInt:FE_Nips(t)) & ! loop over IPs
|
|
volumeOfGrain(grain+(i-1)*dGrains+1_pInt:grain+i*dGrains) = &
|
|
mesh_ipVolume(i,e)/dGrains ! assign IPvolume/Ngrains to all grains of IP
|
|
grain = grain + FE_Nips(t) * dGrains ! wind forward by Nips*NgrainsPerIP
|
|
endif
|
|
enddo
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! divide myNgrains as best over constituents
|
|
NgrainsOfConstituent = 0_pInt
|
|
forall (i = 1_pInt:microstructure_Nconstituents(micro)) &
|
|
NgrainsOfConstituent(i) = nint(microstructure_fraction(i,micro) * myNgrains, pInt) ! do rounding integer conversion
|
|
do while (sum(NgrainsOfConstituent) /= myNgrains) ! total grain count over constituents wrong?
|
|
sgn = sign(1_pInt, myNgrains - sum(NgrainsOfConstituent)) ! direction of required change
|
|
extreme = 0.0_pReal
|
|
t = 0_pInt
|
|
do i = 1_pInt,microstructure_Nconstituents(micro) ! find largest deviator
|
|
if (real(sgn,pReal)*log(NgrainsOfConstituent(i)/myNgrains/microstructure_fraction(i,micro)) > extreme) then
|
|
extreme = real(sgn,pReal)*log(NgrainsOfConstituent(i)/myNgrains/microstructure_fraction(i,micro))
|
|
t = i
|
|
endif
|
|
enddo
|
|
NgrainsOfConstituent(t) = NgrainsOfConstituent(t) + sgn ! change that by one
|
|
enddo
|
|
|
|
phaseOfGrain = 0_pInt
|
|
textureOfGrain = 0_pInt
|
|
orientationOfGrain = 0.0_pReal
|
|
grain = 0_pInt ! reset microstructure grain index
|
|
|
|
constituents: do i = 1_pInt,microstructure_Nconstituents(micro) ! loop over constituents
|
|
phaseID = microstructure_phase(i,micro)
|
|
textureID = microstructure_texture(i,micro)
|
|
phaseOfGrain(grain+1_pInt:grain+NgrainsOfConstituent(i)) = phaseID ! assign resp. phase
|
|
textureOfGrain(grain+1_pInt:grain+NgrainsOfConstituent(i)) = textureID ! assign resp. texture
|
|
|
|
myNorientations = ceiling(real(NgrainsOfConstituent(i),pReal)/&
|
|
real(texture_symmetry(textureID),pReal),pInt) ! max number of unique orientations (excl. symmetry)
|
|
|
|
constituentGrain = 0_pInt ! constituent grain index
|
|
!--------------------------------------------------------------------------------------------------
|
|
! dealing with texture components
|
|
if (texture_ODFfile(textureID) == '') then
|
|
do t = 1_pInt,texture_Ngauss(textureID) ! loop over Gauss components
|
|
do g = 1_pInt,int(myNorientations*texture_Gauss(5,t,textureID),pInt) ! loop over required grain count
|
|
orientationOfGrain(:,grain+constituentGrain+g) = &
|
|
math_sampleGaussOri(texture_Gauss(1:3,t,textureID),&
|
|
texture_Gauss( 4,t,textureID))
|
|
enddo
|
|
constituentGrain = constituentGrain + int(myNorientations*texture_Gauss(5,t,textureID))
|
|
enddo
|
|
|
|
do t = 1_pInt,texture_Nfiber(textureID) ! loop over fiber components
|
|
do g = 1_pInt,int(myNorientations*texture_Fiber(6,t,textureID),pInt) ! loop over required grain count
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orientationOfGrain(:,grain+constituentGrain+g) = &
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math_sampleFiberOri(texture_Fiber(1:2,t,textureID),&
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texture_Fiber(3:4,t,textureID),&
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texture_Fiber( 5,t,textureID))
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enddo
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constituentGrain = constituentGrain + int(myNorientations*texture_fiber(6,t,textureID),pInt)
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enddo
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|
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do j = constituentGrain+1_pInt,myNorientations ! fill remainder with random
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orientationOfGrain(:,grain+j) = math_sampleRandomOri()
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enddo
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else
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!--------------------------------------------------------------------------------------------------
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! hybrid IA
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orientationOfGrain(:,grain+1:grain+myNorientations) = IO_hybridIA(myNorientations,texture_ODFfile(textureID))
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if (all(orientationOfGrain(:,grain+1) == -1.0_pReal)) call IO_error(156_pInt)
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constituentGrain = constituentGrain + myNorientations
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endif
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|
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symExtension = texture_symmetry(textureID) - 1_pInt
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if (symExtension > 0_pInt) then ! sample symmetry
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constituentGrain = NgrainsOfConstituent(i)-myNorientations ! calc remainder of array
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|
do j = 1_pInt,myNorientations ! loop over each "real" orientation
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|
symOrientation = math_symmetricEulers(texture_symmetry(textureID),orientationOfGrain(:,j)) ! get symmetric equivalents
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e = min(symExtension,constituentGrain) ! are we at end of constituent grain array?
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if (e > 0_pInt) then
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orientationOfGrain(:,grain+myNorientations+1+(j-1_pInt)*symExtension:&
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grain+myNorientations+e+(j-1_pInt)*symExtension) = &
|
|
symOrientation(:,1:e)
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constituentGrain = constituentGrain - e ! remainder shrinks by e
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|
endif
|
|
enddo
|
|
endif
|
|
|
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grain = grain + NgrainsOfConstituent(i) ! advance microstructure grain index
|
|
enddo constituents
|
|
|
|
|
|
! unless element homogeneous, reshuffle grains
|
|
if (.not. microstructure_elemhomo(micro)) then
|
|
do i=1_pInt,myNgrains-1_pInt ! walk thru grains
|
|
call random_number(rnd)
|
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t = nint(rnd*(myNgrains-i)+i+0.5_pReal,pInt) ! select a grain in remaining list
|
|
m = phaseOfGrain(t) ! exchange current with random
|
|
phaseOfGrain(t) = phaseOfGrain(i)
|
|
phaseOfGrain(i) = m
|
|
m = textureOfGrain(t) ! exchange current with random
|
|
textureOfGrain(t) = textureOfGrain(i)
|
|
textureOfGrain(i) = m
|
|
orientation = orientationOfGrain(:,t)
|
|
orientationOfGrain(:,t) = orientationOfGrain(:,i)
|
|
orientationOfGrain(:,i) = orientation
|
|
enddo
|
|
endif
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! calc fraction after weighing with volumePerGrain, exchange in MC steps to improve result...
|
|
grain = 0_pInt
|
|
do hme = 1_pInt, Nelems(homog,micro)
|
|
e = elemsOfHomogMicro(homog,micro)%p(hme) ! only perform calculations for elements with homog, micro combinations which is indexed in cpElemsindex
|
|
t = FE_geomtype(mesh_element(2,e))
|
|
if (microstructure_elemhomo(micro)) then ! homogeneous distribution of grains over each element's IPs
|
|
forall (i = 1_pInt:FE_Nips(t), g = 1_pInt:dGrains) ! loop over IPs and grains
|
|
material_volume(g,i,e) = volumeOfGrain(grain+g)
|
|
material_phase(g,i,e) = phaseOfGrain(grain+g)
|
|
material_texture(g,i,e) = textureOfGrain(grain+g)
|
|
material_EulerAngles(:,g,i,e) = orientationOfGrain(:,grain+g)
|
|
end forall
|
|
FEsolving_execIP(2,e) = 1_pInt ! restrict calculation to first IP only, since all other results are to be copied from this
|
|
grain = grain + dGrains ! wind forward by NgrainsPerIP
|
|
else
|
|
forall (i = 1_pInt:FE_Nips(t), g = 1_pInt:dGrains) ! loop over IPs and grains
|
|
material_volume(g,i,e) = volumeOfGrain(grain+(i-1_pInt)*dGrains+g)
|
|
material_phase(g,i,e) = phaseOfGrain(grain+(i-1_pInt)*dGrains+g)
|
|
material_texture(g,i,e) = textureOfGrain(grain+(i-1_pInt)*dGrains+g)
|
|
material_EulerAngles(:,g,i,e) = orientationOfGrain(:,grain+(i-1_pInt)*dGrains+g)
|
|
end forall
|
|
grain = grain + FE_Nips(t) * dGrains ! wind forward by Nips*NgrainsPerIP
|
|
endif
|
|
enddo
|
|
endif ! active homog,micro pair
|
|
enddo
|
|
enddo
|
|
|
|
deallocate(volumeOfGrain)
|
|
deallocate(phaseOfGrain)
|
|
deallocate(textureOfGrain)
|
|
deallocate(orientationOfGrain)
|
|
deallocate(Nelems)
|
|
!do homog = 1,material_Nhomogenization
|
|
! do micro = 1,material_Nmicrostructure
|
|
! if (Nelems(homog,micro) > 0_pInt) deallocate(elemsOfHomogMicro(homog,micro)%p) ! ToDo - causing segmentation fault: needs looking into
|
|
! enddo
|
|
!enddo
|
|
deallocate(elemsOfHomogMicro)
|
|
|
|
end subroutine material_populateGrains
|
|
|
|
end module material
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