792 lines
35 KiB
Fortran
792 lines
35 KiB
Fortran
! Copyright 2011 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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!* Module: MATERIAL *
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!************************************
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!* contains: *
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!* - parsing of material.config *
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!************************************
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MODULE material
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!*** Include other modules ***
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use prec, only: pReal,pInt
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implicit none
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character(len=64), parameter :: material_configFile = 'material.config'
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character(len=32), parameter :: material_partHomogenization = 'homogenization'
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character(len=32), parameter :: material_partMicrostructure = 'microstructure'
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character(len=32), parameter :: material_partCrystallite = 'crystallite'
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character(len=32), parameter :: material_partPhase = 'phase'
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character(len=32), parameter :: material_partTexture = 'texture'
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!*************************************
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!* Definition of material properties *
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!*************************************
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!* Number of materials
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integer(pInt) &
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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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material_Nphase, & ! number of phases
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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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homogenization_maxNgrains, & ! max number of grains in any USED homogenization
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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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character(len=64), dimension(:), allocatable :: &
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homogenization_name, & ! name of each homogenization
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homogenization_type, & ! type of each homogenization
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microstructure_name, & ! name of each microstructure
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crystallite_name, & ! name of each crystallite setting
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phase_name, & ! name of each phase
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phase_constitution, & ! constitution of each phase
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texture_name ! name of each texture
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character(len=256),dimension(:), allocatable :: &
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texture_ODFfile ! name of each ODF file
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integer(pInt), dimension(:), allocatable :: &
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homogenization_Ngrains, & ! number of grains in each homogenization
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homogenization_typeInstance, & ! instance of particular type of each homogenization
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homogenization_Noutput, & ! number of '(output)' items per homogenization
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microstructure_Nconstituents, & ! number of constituents in each microstructure
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crystallite_Noutput, & ! number of '(output)' items per crystallite setting
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phase_constitutionInstance, & ! instance of particular constitution of each phase
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phase_Noutput, & ! number of '(output)' items per phase
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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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logical, dimension(:), allocatable :: &
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homogenization_active, & !
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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_localConstitution ! flags phases with local constitutive law
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integer(pInt), dimension(:), allocatable :: &
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microstructure_crystallite ! crystallite setting ID of each microstructure
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integer(pInt), dimension(:,:), allocatable :: &
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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 :: &
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microstructure_fraction ! vol fraction of each constituent in microstructure
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real(pReal), dimension(:,:,:), allocatable :: &
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material_volume ! volume of each grain,IP,element
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integer(pInt), dimension(:,:,:), allocatable :: &
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material_phase, & ! phase (index) of each grain,IP,element
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material_texture ! texture (index) of each grain,IP,element
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real(pReal), dimension(:,:,:,:), allocatable :: &
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material_EulerAngles ! initial orientation of each grain,IP,element
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real(pReal), dimension(:,:,:), allocatable :: &
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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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CONTAINS
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!*********************************************************************
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subroutine material_init()
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!*********************************************************************
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!* Module initialization *
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!**************************************
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use prec, only: pReal,pInt
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use IO, only: IO_error, IO_open_file
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use debug, only: debug_verbosity
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implicit none
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!* Definition of variables
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integer(pInt), parameter :: fileunit = 200
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integer(pInt) i,j
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!$OMP CRITICAL (write2out)
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write(6,*)
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write(6,*) '<<<+- material init -+>>>'
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write(6,*) '$Id$'
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write(6,*)
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!$OMP END CRITICAL (write2out)
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if(.not. IO_open_file(fileunit,material_configFile)) call IO_error(100) ! cannot open config file
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call material_parseHomogenization(fileunit,material_partHomogenization)
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call material_parseMicrostructure(fileunit,material_partMicrostructure)
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call material_parseCrystallite(fileunit,material_partCrystallite)
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call material_parseTexture(fileunit,material_partTexture)
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call material_parsePhase(fileunit,material_partPhase)
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close(fileunit)
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do i = 1,material_Nmicrostructure
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if (microstructure_crystallite(i) < 1 .or. &
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microstructure_crystallite(i) > material_Ncrystallite) call IO_error(150,i)
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if (minval(microstructure_phase(1:microstructure_Nconstituents(i),i)) < 1 .or. &
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maxval(microstructure_phase(1:microstructure_Nconstituents(i),i)) > material_Nphase) call IO_error(155,i)
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if (minval(microstructure_texture(1:microstructure_Nconstituents(i),i)) < 1 .or. &
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maxval(microstructure_texture(1:microstructure_Nconstituents(i),i)) > material_Ntexture) call IO_error(160,i)
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if (abs(sum(microstructure_fraction(:,i)) - 1.0_pReal) >= 1.0e-10_pReal) then
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if (debug_verbosity > 0) then
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!$OMP CRITICAL (write2out)
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write(6,*)'sum of microstructure fraction = ',sum(microstructure_fraction(:,i))
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!$OMP END CRITICAL (write2out)
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endif
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call IO_error(170,i)
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endif
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enddo
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if (debug_verbosity > 0) then
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!$OMP CRITICAL (write2out)
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write (6,*)
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write (6,*) 'MATERIAL configuration'
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write (6,*)
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write (6,'(a32,x,a16,x,a6)') 'homogenization ','type ','grains'
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do i = 1,material_Nhomogenization
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write (6,'(x,a32,x,a16,x,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,x,a11,x,a12,x,a13)') 'microstructure ','crystallite','constituents','homogeneous'
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do i = 1,material_Nmicrostructure
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write (6,'(a32,4x,i4,8x,i4,8x,l)') 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,microstructure_Nconstituents(i)
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write (6,'(a1,x,a32,x,a32,x,f6.4)') '>',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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!$OMP END CRITICAL (write2out)
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endif
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call material_populateGrains()
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endsubroutine
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!*********************************************************************
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subroutine material_parseHomogenization(file,myPart)
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!*********************************************************************
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use prec, only: pInt
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use IO
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use mesh, only: 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) :: file
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integer(pInt), parameter :: maxNchunks = 2
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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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Nsections = IO_countSections(file,myPart)
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material_Nhomogenization = Nsections
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if (Nsections < 1_pInt) call IO_error(125,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:Nsections) homogenization_active(s) = any(mesh_element(3,:) == s) ! current homogenization used in model?
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homogenization_Noutput = IO_countTagInPart(file,myPart,'(output)',Nsections)
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rewind(file)
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line = ''
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section = 0
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do while (IO_lc(IO_getTag(line,'<','>')) /= myPart) ! wind forward to myPart
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read(file,'(a1024)',END=100) line
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enddo
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do
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read(file,'(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 (IO_getTag(line,'[',']') /= '') then ! next section
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section = section + 1
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homogenization_name(section) = IO_getTag(line,'[',']')
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endif
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if (section > 0) then
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positions = IO_stringPos(line,maxNchunks)
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tag = IO_lc(IO_stringValue(line,positions,1)) ! 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)) ! adding: IO_lc function <<<updated 31.07.2009>>>
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do s = 1,section
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if (homogenization_type(s) == homogenization_type(section)) &
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homogenization_typeInstance(section) = homogenization_typeInstance(section) + 1 ! 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)
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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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return
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endsubroutine
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!*********************************************************************
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subroutine material_parseMicrostructure(file,myPart)
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!*********************************************************************
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use prec, only: pInt
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use IO
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use mesh, only: 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) :: file
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integer(pInt), parameter :: maxNchunks = 7
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integer(pInt), dimension(1+2*maxNchunks) :: positions
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integer(pInt) Nsections, section, constituent, i
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character(len=64) tag
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character(len=1024) line
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Nsections = IO_countSections(file,myPart)
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material_Nmicrostructure = Nsections
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if (Nsections < 1_pInt) call IO_error(125,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 (i = 1:Nsections) microstructure_active(i) = any(mesh_element(4,:) == i) ! current microstructure used in model?
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microstructure_Nconstituents = IO_countTagInPart(file,myPart,'(constituent)',Nsections)
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microstructure_maxNconstituents = maxval(microstructure_Nconstituents)
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microstructure_elemhomo = IO_spotTagInPart(file,myPart,'/elementhomogeneous/',Nsections)
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allocate(microstructure_phase (microstructure_maxNconstituents,Nsections)); microstructure_phase = 0_pInt
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allocate(microstructure_texture (microstructure_maxNconstituents,Nsections)); microstructure_texture = 0_pInt
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allocate(microstructure_fraction(microstructure_maxNconstituents,Nsections)); microstructure_fraction = 0.0_pReal
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rewind(file)
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line = ''
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section = 0
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do while (IO_lc(IO_getTag(line,'<','>')) /= myPart) ! wind forward to myPart
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read(file,'(a1024)',END=100) line
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enddo
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do
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read(file,'(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 (IO_getTag(line,'[',']') /= '') then ! next section
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section = section + 1
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constituent = 0
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microstructure_name(section) = IO_getTag(line,'[',']')
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endif
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if (section > 0) then
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positions = IO_stringPos(line,maxNchunks)
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tag = IO_lc(IO_stringValue(line,positions,1)) ! 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)
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case ('(constituent)')
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constituent = constituent + 1
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do i=2,6,2
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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)
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case('texture')
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microstructure_texture(constituent,section) = IO_intValue(line,positions,i+1)
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case('fraction')
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microstructure_fraction(constituent,section) = IO_floatValue(line,positions,i+1)
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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 return
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endsubroutine
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!*********************************************************************
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subroutine material_parseCrystallite(file,myPart)
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!*********************************************************************
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use prec, only: pInt
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use IO
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use mesh, only: 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) :: file
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integer(pInt) Nsections, section
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character(len=64) tag
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character(len=1024) line
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Nsections = IO_countSections(file,myPart)
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material_Ncrystallite = Nsections
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if (Nsections < 1_pInt) call IO_error(125,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(file,myPart,'(output)',Nsections)
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rewind(file)
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line = ''
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section = 0
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do while (IO_lc(IO_getTag(line,'<','>')) /= myPart) ! wind forward to myPart
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read(file,'(a1024)',END=100) line
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enddo
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do
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read(file,'(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 (IO_getTag(line,'[',']') /= '') then ! next section
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section = section + 1
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crystallite_name(section) = IO_getTag(line,'[',']')
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endif
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enddo
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100 return
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endsubroutine
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!*********************************************************************
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subroutine material_parsePhase(file,myPart)
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!*********************************************************************
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use prec, only: pInt
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use IO
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implicit none
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character(len=*), intent(in) :: myPart
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integer(pInt), intent(in) :: file
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integer(pInt), parameter :: maxNchunks = 2
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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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Nsections = IO_countSections(file,myPart)
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material_Nphase = Nsections
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if (Nsections < 1_pInt) call IO_error(125,ext_msg=myPart)
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allocate(phase_name(Nsections)); phase_name = ''
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allocate(phase_constitution(Nsections)); phase_constitution = ''
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allocate(phase_constitutionInstance(Nsections)); phase_constitutionInstance = 0_pInt
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allocate(phase_Noutput(Nsections))
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allocate(phase_localConstitution(Nsections))
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phase_Noutput = IO_countTagInPart(file,myPart,'(output)',Nsections)
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phase_localConstitution = .not. IO_spotTagInPart(file,myPart,'/nonlocal/',Nsections)
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rewind(file)
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line = ''
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section = 0
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do while (IO_lc(IO_getTag(line,'<','>')) /= myPart) ! wind forward to myPart
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read(file,'(a1024)',END=100) line
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enddo
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do
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read(file,'(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 (IO_getTag(line,'[',']') /= '') then ! next section
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section = section + 1
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phase_name(section) = IO_getTag(line,'[',']')
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endif
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if (section > 0) then
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positions = IO_stringPos(line,maxNchunks)
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tag = IO_lc(IO_stringValue(line,positions,1)) ! extract key
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select case(tag)
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case ('constitution')
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phase_constitution(section) = IO_lc(IO_stringValue(line,positions,2))
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do s = 1,section
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if (phase_constitution(s) == phase_constitution(section)) &
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phase_constitutionInstance(section) = phase_constitutionInstance(section) + 1 ! count instances
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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 return
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endsubroutine
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!*********************************************************************
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subroutine material_parseTexture(file,myPart)
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!*********************************************************************
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use prec, only: pInt, pReal
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use IO
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use math, only: inRad
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implicit none
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character(len=*), intent(in) :: myPart
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integer(pInt), intent(in) :: file
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integer(pInt), parameter :: maxNchunks = 13
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integer(pInt), dimension(1+2*maxNchunks) :: positions
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integer(pInt) Nsections, section, gauss, fiber, i
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character(len=64) tag
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character(len=1024) line
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Nsections = IO_countSections(file,myPart)
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material_Ntexture = Nsections
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if (Nsections < 1_pInt) call IO_error(125,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(file,myPart,'(gauss)',Nsections)
|
|
texture_Nfiber = IO_countTagInPart(file,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(file)
|
|
line = ''
|
|
section = 0
|
|
|
|
do while (IO_lc(IO_getTag(line,'<','>')) /= myPart) ! wind forward to myPart
|
|
read(file,'(a1024)',END=100) line
|
|
enddo
|
|
|
|
do
|
|
read(file,'(a1024)',END=100) line
|
|
if (IO_isBlank(line)) cycle ! skip empty lines
|
|
if (IO_getTag(line,'<','>') /= '') exit ! stop at next part
|
|
if (IO_getTag(line,'[',']') /= '') then ! next section
|
|
section = section + 1
|
|
gauss = 0
|
|
fiber = 0
|
|
texture_name(section) = IO_getTag(line,'[',']')
|
|
endif
|
|
if (section > 0) then
|
|
positions = IO_stringPos(line,maxNchunks)
|
|
tag = IO_lc(IO_stringValue(line,positions,1)) ! extract key
|
|
select case(tag)
|
|
|
|
case ('hybridia')
|
|
texture_ODFfile(section) = IO_stringValue(line,positions,2)
|
|
|
|
case ('symmetry')
|
|
tag = IO_lc(IO_stringValue(line,positions,2))
|
|
select case (tag)
|
|
case('orthotropic')
|
|
texture_symmetry(section) = 4
|
|
case('monoclinic')
|
|
texture_symmetry(section) = 2
|
|
case default
|
|
texture_symmetry(section) = 1
|
|
end select
|
|
|
|
case ('(gauss)')
|
|
gauss = gauss + 1
|
|
do i = 2,10,2
|
|
tag = IO_lc(IO_stringValue(line,positions,i))
|
|
select case (tag)
|
|
case('phi1')
|
|
texture_Gauss(1,gauss,section) = IO_floatValue(line,positions,i+1)*inRad
|
|
case('phi')
|
|
texture_Gauss(2,gauss,section) = IO_floatValue(line,positions,i+1)*inRad
|
|
case('phi2')
|
|
texture_Gauss(3,gauss,section) = IO_floatValue(line,positions,i+1)*inRad
|
|
case('scatter')
|
|
texture_Gauss(4,gauss,section) = IO_floatValue(line,positions,i+1)*inRad
|
|
case('fraction')
|
|
texture_Gauss(5,gauss,section) = IO_floatValue(line,positions,i+1)
|
|
end select
|
|
enddo
|
|
case ('(fiber)')
|
|
fiber = fiber + 1
|
|
do i = 2,12,2
|
|
tag = IO_lc(IO_stringValue(line,positions,i))
|
|
select case (tag)
|
|
case('alpha1')
|
|
texture_Fiber(1,fiber,section) = IO_floatValue(line,positions,i+1)*inRad
|
|
case('alpha2')
|
|
texture_Fiber(2,fiber,section) = IO_floatValue(line,positions,i+1)*inRad
|
|
case('beta1')
|
|
texture_Fiber(3,fiber,section) = IO_floatValue(line,positions,i+1)*inRad
|
|
case('beta2')
|
|
texture_Fiber(4,fiber,section) = IO_floatValue(line,positions,i+1)*inRad
|
|
case('scatter')
|
|
texture_Fiber(5,fiber,section) = IO_floatValue(line,positions,i+1)*inRad
|
|
case('fraction')
|
|
texture_Fiber(6,fiber,section) = IO_floatValue(line,positions,i+1)
|
|
end select
|
|
enddo
|
|
|
|
end select
|
|
endif
|
|
enddo
|
|
|
|
100 return
|
|
|
|
endsubroutine
|
|
|
|
|
|
!*********************************************************************
|
|
subroutine material_populateGrains()
|
|
!*********************************************************************
|
|
|
|
use prec, only: pInt, pReal
|
|
use math, only: math_sampleRandomOri, math_sampleGaussOri, math_sampleFiberOri, math_symmetricEulers, inDeg
|
|
use mesh, only: mesh_element, mesh_maxNips, mesh_NcpElems, mesh_ipVolume, FE_Nips
|
|
use IO, only: IO_error, IO_hybridIA
|
|
use FEsolving, only: FEsolving_execIP
|
|
use debug, only: debug_verbosity
|
|
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
|
|
integer(pInt) phaseID,textureID,dGrains,myNgrains,myNorientations, &
|
|
grain,constituentGrain,symExtension
|
|
real(pReal) extreme,rnd
|
|
|
|
|
|
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
|
|
|
|
! identify maximum grain count per IP (from element) and find grains per homog/micro pair
|
|
do e = 1,mesh_NcpElems
|
|
homog = mesh_element(3,e)
|
|
micro = mesh_element(4,e)
|
|
if (homog < 1 .or. homog > material_Nhomogenization) & ! out of bounds
|
|
call IO_error(130,e,0,0)
|
|
if (micro < 1 .or. micro > material_Nmicrostructure) & ! out of bounds
|
|
call IO_error(140,e,0,0)
|
|
if (microstructure_elemhomo(micro)) then
|
|
dGrains = homogenization_Ngrains(homog)
|
|
else
|
|
dGrains = homogenization_Ngrains(homog) * FE_Nips(mesh_element(2,e))
|
|
endif
|
|
Ngrains(homog,micro) = Ngrains(homog,micro) + dGrains
|
|
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 (debug_verbosity > 0) then
|
|
!$OMP CRITICAL (write2out)
|
|
write (6,*)
|
|
write (6,*) 'MATERIAL grain population'
|
|
write (6,*)
|
|
write (6,'(a32,x,a32,x,a6)') 'homogenization_name','microstructure_name','grain#'
|
|
!$OMP END CRITICAL (write2out)
|
|
endif
|
|
do homog = 1,material_Nhomogenization ! loop over homogenizations
|
|
dGrains = homogenization_Ngrains(homog) ! grain number per material point
|
|
do micro = 1,material_Nmicrostructure ! all pairs of homog and micro
|
|
if (Ngrains(homog,micro) > 0) then ! an active pair of homog and micro
|
|
myNgrains = Ngrains(homog,micro) ! assign short name for total number of grains to populate
|
|
if (debug_verbosity > 0) then
|
|
!$OMP CRITICAL (write2out)
|
|
write (6,*)
|
|
write (6,'(a32,x,a32,x,i6)') homogenization_name(homog),microstructure_name(micro),myNgrains
|
|
!$OMP END CRITICAL (write2out)
|
|
endif
|
|
|
|
! ---------------------------------------------------------------------------- calculate volume of each grain
|
|
volumeOfGrain = 0.0_pReal
|
|
grain = 0_pInt ! microstructure grain index
|
|
do e = 1,mesh_NcpElems ! check each element
|
|
if (mesh_element(3,e) == homog .and. mesh_element(4,e) == micro) then ! my combination of homog and micro
|
|
if (microstructure_elemhomo(micro)) then ! homogeneous distribution of grains over each element's IPs
|
|
volumeOfGrain(grain+1:grain+dGrains) = sum(mesh_ipVolume(1:FE_Nips(mesh_element(2,e)),e))/dGrains
|
|
grain = grain + dGrains ! wind forward by NgrainsPerIP
|
|
else
|
|
forall (i = 1:FE_Nips(mesh_element(2,e))) & ! loop over IPs
|
|
volumeOfGrain(grain+(i-1)*dGrains+1:grain+i*dGrains) = &
|
|
mesh_ipVolume(i,e)/dGrains ! assign IPvolume/Ngrains to all grains of IP
|
|
grain = grain + FE_Nips(mesh_element(2,e)) * dGrains ! wind forward by Nips*NgrainsPerIP
|
|
endif
|
|
endif
|
|
enddo
|
|
! ---------------------------------------------------------------------------- divide myNgrains as best over constituents
|
|
NgrainsOfConstituent = 0_pInt
|
|
forall (i = 1: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,microstructure_Nconstituents(micro) ! find largest deviator
|
|
if (sgn*log(NgrainsOfConstituent(i)/myNgrains/microstructure_fraction(i,micro)) > extreme) then
|
|
extreme = sgn*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
|
|
|
|
do i = 1,microstructure_Nconstituents(micro) ! loop over constituents
|
|
phaseID = microstructure_phase(i,micro)
|
|
textureID = microstructure_texture(i,micro)
|
|
phaseOfGrain(grain+1:grain+NgrainsOfConstituent(i)) = phaseID ! assign resp. phase
|
|
textureOfGrain(grain+1:grain+NgrainsOfConstituent(i)) = textureID ! assign resp. texture
|
|
|
|
myNorientations = ceiling(float(NgrainsOfConstituent(i))/texture_symmetry(textureID)) ! max number of unique orientations (excl. symmetry)
|
|
|
|
constituentGrain = 0_pInt ! constituent grain index
|
|
! ---------
|
|
if (texture_ODFfile(textureID) == '') then ! dealing with texture components
|
|
! ---------
|
|
do t = 1,texture_Ngauss(textureID) ! loop over Gauss components
|
|
do g = 1,int(myNorientations*texture_Gauss(5,t,textureID)) ! 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,texture_Nfiber(textureID) ! loop over fiber components
|
|
do g = 1,int(myNorientations*texture_Fiber(6,t,textureID)) ! loop over required grain count
|
|
orientationOfGrain(:,grain+constituentGrain+g) = &
|
|
math_sampleFiberOri(texture_Fiber(1:2,t,textureID),&
|
|
texture_Fiber(3:4,t,textureID),&
|
|
texture_Fiber( 5,t,textureID))
|
|
enddo
|
|
constituentGrain = constituentGrain + int(myNorientations*texture_fiber(6,t,textureID))
|
|
enddo
|
|
|
|
do j = constituentGrain+1,myNorientations ! fill remainder with random
|
|
orientationOfGrain(:,grain+j) = math_sampleRandomOri()
|
|
enddo
|
|
! ---------
|
|
else ! hybrid IA
|
|
! ---------
|
|
orientationOfGrain(:,grain+1:grain+myNorientations) = IO_hybridIA(myNorientations,texture_ODFfile(textureID))
|
|
if (all(orientationOfGrain(:,grain+1) == -1.0_pReal)) call IO_error(105)
|
|
constituentGrain = constituentGrain + myNorientations
|
|
|
|
endif
|
|
! ----------------------------------------------------------------------------
|
|
symExtension = texture_symmetry(textureID) - 1_pInt
|
|
if (symExtension > 0_pInt) then ! sample symmetry
|
|
constituentGrain = NgrainsOfConstituent(i)-myNorientations ! calc remainder of array
|
|
do j = 1,myNorientations ! loop over each "real" orientation
|
|
symOrientation = math_symmetricEulers(texture_symmetry(textureID),orientationOfGrain(:,j)) ! get symmetric equivalents
|
|
e = min(symExtension,constituentGrain) ! are we at end of constituent grain array?
|
|
if (e > 0_pInt) then
|
|
orientationOfGrain(:,grain+myNorientations+1+(j-1)*symExtension:&
|
|
grain+myNorientations+e+(j-1)*symExtension) = &
|
|
symOrientation(:,1:e)
|
|
constituentGrain = constituentGrain - e ! remainder shrinks by e
|
|
endif
|
|
enddo
|
|
endif
|
|
|
|
grain = grain + NgrainsOfConstituent(i) ! advance microstructure grain index
|
|
enddo ! constituent
|
|
|
|
! ----------------------------------------------------------------------------
|
|
if (.not. microstructure_elemhomo(micro)) then ! unless element homogeneous, reshuffle grains
|
|
do i=1,myNgrains-1 ! walk thru grains
|
|
call random_number(rnd)
|
|
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 ! microstructure grain index
|
|
do e = 1,mesh_NcpElems ! check each element
|
|
if (mesh_element(3,e) == homog .and. mesh_element(4,e) == micro) then ! my combination of homog and micro
|
|
if (microstructure_elemhomo(micro)) then ! homogeneous distribution of grains over each element's IPs
|
|
forall (i = 1:FE_Nips(mesh_element(2,e)), g = 1: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:FE_Nips(mesh_element(2,e)), g = 1:dGrains) ! loop over IPs and grains
|
|
material_volume(g,i,e) = volumeOfGrain(grain+(i-1)*dGrains+g)
|
|
material_phase(g,i,e) = phaseOfGrain(grain+(i-1)*dGrains+g)
|
|
material_texture(g,i,e) = textureOfGrain(grain+(i-1)*dGrains+g)
|
|
material_EulerAngles(:,g,i,e) = orientationOfGrain(:,grain+(i-1)*dGrains+g)
|
|
end forall
|
|
grain = grain + FE_Nips(mesh_element(2,e)) * dGrains ! wind forward by Nips*NgrainsPerIP
|
|
endif
|
|
endif
|
|
enddo
|
|
|
|
endif ! active homog,micro pair
|
|
enddo
|
|
enddo
|
|
|
|
deallocate(volumeOfGrain)
|
|
deallocate(phaseOfGrain)
|
|
deallocate(textureOfGrain)
|
|
deallocate(orientationOfGrain)
|
|
|
|
return
|
|
|
|
endsubroutine
|
|
|
|
|
|
END MODULE
|