887 lines
29 KiB
Fortran
887 lines
29 KiB
Fortran
!* $Id$
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!********************************************************************
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! Material subroutine for BVP solution using spectral method
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!
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! written by P. Eisenlohr,
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! F. Roters,
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! L. Hantcherli,
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! W.A. Counts
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! D.D. Tjahjanto
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! C. Kords
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! M. Diehl
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! R. Lebensohn
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!
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! MPI fuer Eisenforschung, Duesseldorf
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!
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!********************************************************************
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! Usage:
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! - start program with mpie_spectral PathToMeshFile/NameOfMesh.mesh
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! PathToLoadFile/NameOfLoadFile.load
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! - PathToLoadFile will be the working directory
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! - make sure the file "material.config" exists in the working
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! directory
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!********************************************************************
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!
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include "prec.f90" ! uses nothing else
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MODULE mpie_interface
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use prec, only: pInt, pReal
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character(len=64), parameter :: FEsolver = 'Spectral'
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character(len=5), parameter :: InputFileExtension = '.mesh'
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CONTAINS
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!********************************************************************
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! initialize interface module
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!
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!********************************************************************
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subroutine mpie_interface_init()
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write(6,*)
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write(6,*) '<<<+- mpie_spectral init -+>>>'
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write(6,*) '$Id$'
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write(6,*)
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return
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endsubroutine
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!********************************************************************
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! extract working directory from loadcase file
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! possibly based on current working dir
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!********************************************************************
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function getSolverWorkingDirectoryName()
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implicit none
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character(len=1024) cwd,outname,getSolverWorkingDirectoryName
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character(len=*), parameter :: pathSep = achar(47)//achar(92) ! forward and backward slash
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call getarg(2,outname) ! path to loadFile
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if (scan(outname,pathSep) == 1) then ! absolute path given as command line argument
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getSolverWorkingDirectoryName = outname(1:scan(outname,pathSep,back=.true.))
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else
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call getcwd(cwd)
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getSolverWorkingDirectoryName = trim(cwd)//'/'//outname(1:scan(outname,pathSep,back=.true.))
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endif
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getSolverWorkingDirectoryName = rectifyPath(getSolverWorkingDirectoryName)
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return
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endfunction
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!********************************************************************
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! basename of meshfile from command line arguments
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!
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!********************************************************************
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function getSolverJobName()
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use prec, only: pInt
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implicit none
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character(1024) getSolverJobName, outName, cwd
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character(len=*), parameter :: pathSep = achar(47)//achar(92) ! forward and backward slash
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integer(pInt) posExt,posSep
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getSolverJobName = ''
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call getarg(1,outName)
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posExt = scan(outName,'.',back=.true.)
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posSep = scan(outName,pathSep,back=.true.)
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if (posExt <= posSep) posExt = len_trim(outName)+1 ! no extension present
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getSolverJobName = outName(1:posExt-1) ! path to mesh file (excl. extension)
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if (scan(getSolverJobName,pathSep) /= 1) then ! relative path given as command line argument
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call getcwd(cwd)
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getSolverJobName = rectifyPath(trim(cwd)//'/'//getSolverJobName)
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else
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getSolverJobName = rectifyPath(getSolverJobName)
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endif
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getSolverJobName = makeRelativePath(getSolverWorkingDirectoryName(),&
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getSolverJobName)
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return
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endfunction
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!********************************************************************
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! relative path of loadcase from command line arguments
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!
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!********************************************************************
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function getLoadcaseName()
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use prec, only: pInt
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implicit none
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character(len=1024) getLoadcaseName, outName, cwd
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character(len=*), parameter :: pathSep = achar(47)//achar(92) ! forward and backward slash
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integer(pInt) posExt,posSep
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posExt = 0 ! not sure if required
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call getarg(2,getLoadcaseName)
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posExt = scan(getLoadcaseName,'.',back=.true.)
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posSep = scan(getLoadcaseName,pathSep,back=.true.)
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if (posExt <= posSep) getLoadcaseName = trim(getLoadcaseName)//('.load') ! no extension present
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if (scan(getLoadcaseName,pathSep) /= 1) then ! relative path given as command line argument
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call getcwd(cwd)
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getLoadcaseName = rectifyPath(trim(cwd)//'/'//getLoadcaseName)
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else
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getLoadcaseName = rectifyPath(getLoadcaseName)
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endif
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getLoadcaseName = makeRelativePath(getSolverWorkingDirectoryName(),&
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getLoadcaseName)
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return
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endfunction
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!********************************************************************
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! remove ../ and ./ from path
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!
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!********************************************************************
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function rectifyPath(path)
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use prec, only: pInt
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implicit none
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character(len=*) path
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character(len=len_trim(path)) rectifyPath
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integer(pInt) i,j,k,l
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!remove ./ from path
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l = len_trim(path)
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rectifyPath = path
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do i = l,2,-1
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if ( rectifyPath(i-1:i) == './' .and. rectifyPath(i-2:i-2) /= '.' ) &
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rectifyPath(i-1:l) = rectifyPath(i+1:l)//' '
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enddo
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!remove ../ and corresponding directory from rectifyPath
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l = len_trim(rectifyPath)
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i = index(rectifyPath(i:l),'../')
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j = 0_pInt
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do while (i > j)
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j = scan(rectifyPath(:i-2),'/',back=.true.)
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rectifyPath(j+1:l) = rectifyPath(i+3:l)//repeat(' ',2+i-j)
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i = j+index(rectifyPath(j+1:l),'../')
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enddo
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if(len_trim(rectifyPath) == 0) rectifyPath = '/'
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return
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endfunction rectifyPath
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!********************************************************************
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! relative path from absolute a to absolute b
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!
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!********************************************************************
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function makeRelativePath(a,b)
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use prec, only: pInt
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implicit none
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character (len=*) :: a,b
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character (len=1024) :: makeRelativePath
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integer(pInt) i,posLastCommonSlash,remainingSlashes
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posLastCommonSlash = 0
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remainingSlashes = 0
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do i = 1,min(1024,len_trim(a),len_trim(b))
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if (a(i:i) /= b(i:i)) exit
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if (a(i:i) == '/') posLastCommonSlash = i
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enddo
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do i = posLastCommonSlash+1,len_trim(a)
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if (a(i:i) == '/') remainingSlashes = remainingSlashes + 1
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enddo
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makeRelativePath = repeat('../',remainingSlashes)//b(posLastCommonSlash+1:len_trim(b))
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return
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endfunction makeRelativePath
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END MODULE
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include "IO.f90" ! uses prec
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include "numerics.f90" ! uses prec, IO
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include "math.f90" ! uses prec, numerics
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include "debug.f90" ! uses prec, numerics
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include "FEsolving.f90" ! uses prec, IO
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include "mesh.f90" ! uses prec, math, IO, FEsolving
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include "material.f90" ! uses prec, math, IO, mesh
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include "lattice.f90" ! uses prec, math, IO, material
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include "constitutive_phenopowerlaw.f90" ! uses prec, math, IO, lattice, material, debug
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include "constitutive_j2.f90" ! uses prec, math, IO, lattice, material, debug
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include "constitutive_dislotwin.f90" ! uses prec, math, IO, lattice, material, debug
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include "constitutive_nonlocal.f90" ! uses prec, math, IO, lattice, material, debug
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include "constitutive.f90" ! uses prec, IO, math, lattice, mesh, debug
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include "crystallite.f90" ! uses prec, math, IO, numerics
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include "homogenization_isostrain.f90" ! uses prec, math, IO,
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include "homogenization_RGC.f90" ! uses prec, math, IO, numerics, mesh: added <<<updated 31.07.2009>>>
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include "homogenization.f90" ! uses prec, math, IO, numerics
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include "CPFEM.f90" ! uses prec, math, IO, numerics, debug, FEsolving, mesh, lattice, constitutive, crystallite
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!********************************************************************
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program mpie_spectral
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!********************************************************************
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use mpie_interface
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use prec, only: pInt, pReal
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use IO
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use math
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use CPFEM, only: CPFEM_general
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use FEsolving, only: FEsolving_execElem, FEsolving_execIP
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use debug
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implicit none
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real(pReal), dimension (:,:,:), allocatable :: bc_velocityGrad, &
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bc_stress ! velocity gradient and stress BC
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real(pReal), dimension(:), allocatable :: bc_timeIncrement ! length of increment
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integer(pInt), dimension(:), allocatable :: bc_steps ! number of steps
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logical, dimension(:,:,:,:), allocatable :: bc_mask ! mask
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real(pReal) temperature ! not used, but needed
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real(pReal), dimension(6) :: stress !
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real(pReal), dimension(6,6) :: dsde
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character(len=1024) path,line
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logical, dimension(9) :: bc_maskvector
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logical gotResolution,gotDimension,gotHomogenization
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integer(pInt), parameter :: maxNchunksInput = 24 ! 4 identifiers, 18 values for the matrices and 2 scalars
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integer(pInt), dimension (1+maxNchunksInput*2) :: posInput
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integer(pInt), parameter :: maxNchunksMesh = 7 ! 4 identifiers, 3 values
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integer(pInt), dimension (1+2*maxNchunksMesh) :: posMesh
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real(pReal), dimension(9) :: valuevector ! stores information temporarily from loadcase file
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integer(pInt) unit, N_l, N_s, N_t, N_n, N, i, j, k, l ! numbers of identifiers, loop variables
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integer(pInt) e, homog
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real(pReal) x, y, z
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integer(pInt), dimension(3) :: resolution
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real(pReal), dimension (3,3) :: pstress ! Piola-Kirchhoff stress in Matrix notation
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real(pReal), dimension (3,3,3,3) :: dPdF !
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real(pReal), dimension(3,3,3,3) :: c0,s0,g1
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real(pReal), dimension(6,6) :: c066,s066
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real(pReal), dimension(:), allocatable :: datafft
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real(pReal), dimension(:,:,:,:,:), allocatable :: workfft,workfftim,sg,disgrad,defgradold
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integer(pInt), dimension (3,3) :: iudot,iscau
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real(pReal), dimension(3,3) :: disgradmacro, disgradmacroactual
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real(pReal), dimension(3,3) :: ddisgradmacro, ddisgradmacroacum, ddisgrad, ddisgradim
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real(pReal), dimension(3,3) :: defgrad0, defgrad
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real(pReal), dimension(3,3) :: udot, scauchy, scauav, aux33, xkdyad, xknormdyad
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!integer(pInt), dimension(2) :: nn2 m.diehl
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real(pReal), dimension(3) :: delt,xk
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real(pReal), dimension(6) :: aux6
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integer(pInt) prodnn,itmax, jload, ielem, ii, jj, k1, kxx, kyy, kzz, kx, ky, kz, idum, iter, imicro, m1, n1, p, q, ione
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real(pReal) wgt,error,timestep,erre,errs,evm,svm,det,xknorm, erraux, scaunorm
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logical errmatinv
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if (IargC() < 2) call IO_error(102) ! check for correct Nr. of arguments given
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! Now reading the loadcase file and assigne the variables
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path = getLoadcaseName()
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bc_maskvector = ''
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unit = 234_pInt
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N_l = 0_pInt
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N_s = 0_pInt
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N_t = 0_pInt
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N_n = 0_pInt
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print*,'Loadcase: ',trim(path)
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print*,'Workingdir: ',trim(getSolverWorkingDirectoryName())
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if (.not. IO_open_file(unit,path)) call IO_error(45,ext_msg = path)
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rewind(unit)
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do
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read(unit,'(a1024)',END = 101) line
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if (IO_isBlank(line)) cycle ! skip empty lines
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posInput = IO_stringPos(line,maxNchunksInput)
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do i = 1,maxNchunksInput,1
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select case (IO_lc(IO_stringValue(line,posInput,i)))
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case('l','velocitygrad')
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N_l = N_l+1
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case('s','stress')
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N_s = N_s+1
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case('t','time','delta')
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N_t = N_t+1
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case('n','incs','increments','steps')
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N_n = N_n+1
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end select
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enddo ! count all identifiers to allocate memory and do sanity check
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if ((N_l /= N_s).or.(N_s /= N_t).or.(N_t /= N_n)) & ! sanity check
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call IO_error(46,ext_msg = path) ! error message for incomplete input file
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enddo
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! allocate memory depending on lines in input file
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101 N = N_l
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allocate (bc_velocityGrad(3,3,N)); bc_velocityGrad = 0.0_pReal
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allocate (bc_stress(3,3,N)); bc_stress = 0.0_pReal
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allocate (bc_mask(3,3,2,N)); bc_mask = .false.
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allocate (bc_timeIncrement(N)); bc_timeIncrement = 0.0_pReal
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allocate (bc_steps(N)); bc_steps = 0_pInt
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rewind(unit)
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j = 0_pInt
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do
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read(unit,'(a1024)',END = 200) line
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if (IO_isBlank(line)) cycle ! skip empty lines
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j = j+1
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posInput = IO_stringPos(line,maxNchunksInput)
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do i = 1,maxNchunksInput,2
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select case (IO_lc(IO_stringValue(line,posInput,i)))
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case('l','velocitygrad')
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valuevector = 0.0_pReal
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forall (k = 1:9) bc_maskvector(k) = IO_stringValue(line,posInput,i+k) /= '#'
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do k = 1,9
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if (bc_maskvector(k)) valuevector(k) = IO_floatValue(line,posInput,i+k) ! assign values for the velocity gradient matrix
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enddo
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bc_mask(:,:,1,j) = reshape(bc_maskvector,(/3,3/))
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bc_velocityGrad(:,:,j) = reshape(valuevector,(/3,3/))
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case('s','stress')
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valuevector = 0.0_pReal
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forall (k = 1:9) bc_maskvector(k) = IO_stringValue(line,posInput,i+k) /= '#'
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do k = 1,9
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if (bc_maskvector(k)) valuevector(k) = IO_floatValue(line,posInput,i+k) ! assign values for the bc_stress matrix
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enddo
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bc_mask(:,:,2,j) = reshape(bc_maskvector,(/3,3/))
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bc_stress(:,:,j) = reshape(valuevector,(/3,3/))
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case('t','time','delta') ! increment time
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bc_timeIncrement(j) = IO_floatValue(line,posInput,i+1)
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case('n','incs','increments','steps') ! bc_steps
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bc_steps(j) = IO_intValue(line,posInput,i+1)
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end select
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enddo
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enddo
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200 close(unit)
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! consistency checks
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do j = 1,N
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! if (any(bc_mask(:,:,1,j) == bc_mask(:,:,2,j))) & ! don't enforce consistency to allow values as initial guess
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! call IO_error(47,j) ! bc_mask consistency
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if (any(math_transpose3x3(bc_stress(:,:,j)) + bc_stress(:,:,j) /= 2.0_pReal * bc_stress(:,:,j))) &
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call IO_error(48,j) ! bc_stress symmetry
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print '(a,/,3(3(f12.6,x)/))','L',bc_velocityGrad(:,:,j)
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print '(a,/,3(3(f12.6,x)/))','bc_stress',bc_stress(:,:,j)
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print '(a,/,3(3(l,x)/))','bc_mask for velocitygrad',bc_mask(:,:,1,j)
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print '(a,/,3(3(l,x)/))','bc_mask for stress',bc_mask(:,:,2,j)
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print *,'time',bc_timeIncrement(j)
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print *,'incs',bc_steps(j)
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print *, ''
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enddo
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!read header of mesh file to get the information needed before the complete mesh file is intepretated by mesh.f90
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resolution = 1_pInt
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x = 1_pReal
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y = 1_pReal
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z = 1_pReal
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gotResolution = .false.
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gotDimension = .false.
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gotHomogenization = .false.
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path = getSolverJobName()
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print*,'JobName: ',trim(path)
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if (.not. IO_open_file(unit,trim(path)//InputFileExtension)) call IO_error(101,ext_msg = path)
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rewind(unit)
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do
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read(unit,'(a1024)',END = 100) line
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if (IO_isBlank(line)) cycle ! skip empty lines
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posMesh = IO_stringPos(line,maxNchunksMesh)
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select case ( IO_lc(IO_StringValue(line,posMesh,1)) )
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case ('dimension')
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gotDimension = .true.
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do i = 2,6,2
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select case (IO_lc(IO_stringValue(line,posMesh,i)))
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case('x')
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x = IO_floatValue(line,posMesh,i+1)
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case('y')
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y = IO_floatValue(line,posMesh,i+1)
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case('z')
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z = IO_floatValue(line,posMesh,i+1)
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end select
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enddo
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case ('homogenization')
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gotHomogenization = .true.
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homog = IO_intValue(line,posMesh,2)
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case ('resolution')
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gotResolution = .true.
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do i = 2,6,2
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select case (IO_lc(IO_stringValue(line,posMesh,i)))
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case('a')
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resolution(1) = 2**IO_intValue(line,posMesh,i+1)
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case('b')
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resolution(2) = 2**IO_intValue(line,posMesh,i+1)
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case('c')
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resolution(3) = 2**IO_intValue(line,posMesh,i+1)
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end select
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enddo
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end select
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if (gotDimension .and. gotHomogenization .and. gotResolution) exit
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enddo
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100 close(unit)
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print '(a,/,i3,i3,i3)','resolution a b c', resolution
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print '(a,/,f6.2,f6.2,f6.2)','dimension x y z',x, y, z
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print *,'homogenization',homog
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print *, ''
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temperature = 300.0_pReal
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allocate (datafft(2*resolution(1)*resolution(2)*resolution(3)))
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!allocate (datafft(resolution(1)*resolution(2)*resolution(3))) !for real fft m.diehl
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allocate (workfft(resolution(1),resolution(2),resolution(3),3,3))
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allocate (workfftim(resolution(1),resolution(2),resolution(3),3,3)) ! probably not needed for real fft m.diehl
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allocate (sg(resolution(1),resolution(2),resolution(3),3,3))
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|
allocate (disgrad(3,3,resolution(1),resolution(2),resolution(3)))
|
|
allocate (defgradold(3,3,resolution(1),resolution(2),resolution(3)))
|
|
|
|
open(56,file='str_str.out',status='unknown')
|
|
|
|
write(56,'(t2,a,t14,a,t26,a,t38,a,t50,a,t62,a,t74,a,t86,a,t98,a,&
|
|
t110,a,t122,a,t134,a,t146,a,t158,a,t170,a)')&
|
|
'U1,1','U2,2','U3,3', 'U2,3','U3,1','U1,2','U3,2','U1,3','U2,1',&
|
|
'S11','S22','S33','S23','S31','S12'
|
|
|
|
ione=1
|
|
|
|
error = 0.00001
|
|
itmax = 50
|
|
|
|
delt(1) = 1.
|
|
delt(2) = 1.
|
|
delt(3) = 1.
|
|
|
|
!nn2(1) = resolution(1) m.diehl
|
|
!nn2(2) = resolution(2) m.diehl
|
|
|
|
prodnn = resolution(1)*resolution(2)*resolution(3)
|
|
wgt = 1./prodnn
|
|
|
|
c0 = .0_pReal !stiffness of reference material
|
|
c066 = .0_pReal !other way of notating c0
|
|
stress = .0_pReal !initialization
|
|
dsde = .0_pReal
|
|
|
|
|
|
do ielem = 1, prodnn !call each element with identity (math_i3) to initialize with high stress
|
|
!#
|
|
call CPFEM_general(2,math_I3,math_I3,temperature,0.0_pReal,ielem,1_pInt,stress,dsde, pstress, dPdF)
|
|
c066 = c066+dsde
|
|
c0 = c0+math_Mandel66to3333(dsde)
|
|
enddo
|
|
|
|
c066 = c066*wgt
|
|
c0 = c0*wgt
|
|
|
|
|
|
call math_invert(6,c066,s066,idum,errmatinv)
|
|
if(errmatinv) then
|
|
write(*,*) 'ERROR IN C0 INVERSION'
|
|
stop
|
|
endif
|
|
|
|
s0 = math_Mandel66to3333(s066)
|
|
|
|
! INITIALIZATION BEFORE STARTING WITH LOADINGS
|
|
|
|
disgrad = 0.0_pReal
|
|
disgradmacro = 0.0_pReal
|
|
|
|
do jload = 1,N !Loop over loadcases defined in the loadcase file
|
|
udot(:,:) = bc_velocityGrad(:,:,jload)
|
|
! udot(1,1)=-.35 ! temporary, to solve problem with bc mask
|
|
! udot(2,2)=-.35 not needed any more
|
|
scauchy(:,:) = bc_stress(:,:,jload)
|
|
iudot = 0
|
|
iscau = 0
|
|
|
|
do i = 1, 3 !convert information about rb's from bc_mask in corresponding arrays
|
|
do j = 1, 3
|
|
! if(bc_mask(i,j,1,jload)) iudot(i,j) = 1
|
|
! if(bc_mask(i,j,2,jload)) iscau(i,j) = 1!
|
|
if(bc_mask(i,j,2,jload)) then
|
|
iscau(i,j) = 1
|
|
iudot(i,j) = 0
|
|
else
|
|
iscau(i,j) = 0
|
|
iudot(i,j) = 1
|
|
endif
|
|
enddo; enddo
|
|
|
|
timestep = bc_timeIncrement(jload)/bc_steps(jload)
|
|
|
|
do imicro = 1, bc_steps(jload) ! loop oper steps defined in input file for current loadcase
|
|
write(*,*) '***************************************************'
|
|
write(*,*) 'STEP = ',imicro
|
|
|
|
! INITIALIZATION BEFORE NEW TIME STEP
|
|
disgradmacro = disgradmacro+udot*timestep !update macroscopic displacementgradient
|
|
ddisgradmacro = 0._pReal
|
|
ielem = 0_pInt
|
|
|
|
do k = 1, resolution(3) !loop over FPs
|
|
do j = 1, resolution(2)
|
|
do i = 1, resolution(1)
|
|
ielem = ielem+1
|
|
defgradold(:,:,i,j,k) = math_I3(:,:) + disgrad(:,:,i,j,k) ! wind forward
|
|
disgrad(:,:,i,j,k) = disgradmacro(:,:) ! no fluctuations as guess
|
|
call CPFEM_general(3,defgradold(:,:,i,j,k),math_I3(:,:)+disgrad(:,:,i,j,k),&
|
|
temperature,timestep,ielem,1_pInt,&
|
|
stress,dsde, pstress, dPdF)
|
|
enddo; enddo; enddo
|
|
|
|
ielem = 0
|
|
call debug_reset()
|
|
|
|
do k = 1, resolution(3) !loop over FPs
|
|
do j = 1, resolution(2)
|
|
do i = 1, resolution(1)
|
|
ielem = ielem+1
|
|
call CPFEM_general(min(2,ielem),& ! first element gets calcMode 1, others 2 (saves winding forward effort)
|
|
defgradold(:,:,i,j,k),math_i3(:,:)+disgrad(:,:,i,j,k),&
|
|
temperature,timestep,ielem,1_pInt,&
|
|
stress,dsde, pstress, dPdF)
|
|
sg(i,j,k,:,:) = math_Mandel6to33(stress)
|
|
enddo; enddo; enddo
|
|
|
|
call debug_info()
|
|
|
|
ddisgradmacroacum = 0.0_pReal
|
|
|
|
iter = 0_pInt
|
|
!# erre = 2.*error
|
|
errs = 2.*error
|
|
|
|
!# do while(iter <= itmax.and.(errs > error .or. erre > error))
|
|
do while(iter < itmax .and. errs > error)
|
|
iter = iter+1
|
|
write(*,*) 'ITER = ',iter
|
|
write(*,*) 'DIRECT FFT OF STRESS FIELD'
|
|
do ii = 1,3
|
|
do jj = 1,3
|
|
datafft = 0._pReal
|
|
datafft(1:2*prodnn:2) = reshape(sg(:,:,:,ii,jj),(/prodnn/))
|
|
if(resolution(3) > 1) then
|
|
call fourn(datafft,resolution,3,1)
|
|
else
|
|
call fourn(datafft,resolution(1:2),2,1)
|
|
endif
|
|
|
|
workfft(:,:,:,ii,jj) = reshape(datafft(1:2*prodnn:2),resolution)
|
|
workfftim(:,:,:,ii,jj) = reshape(datafft(2:2*prodnn:2),resolution)
|
|
|
|
enddo; enddo
|
|
|
|
write(*,*) 'CALCULATING G^pq,ij : SG^ij ...'
|
|
|
|
do kzz = 1, resolution(3)
|
|
kz = kzz-1
|
|
if(kzz > resolution(3)/2) kz = kz-resolution(3)
|
|
if(resolution(3) > 1) then
|
|
xk(3) = kz/(delt(3)*resolution(3))
|
|
else
|
|
xk(3) = 0.
|
|
endif
|
|
do kyy = 1, resolution(2)
|
|
ky = kyy-1
|
|
if(kyy > resolution(2)/2) ky = ky-resolution(2)
|
|
xk(2) = ky/(delt(2)*resolution(2))
|
|
do kxx = 1, resolution(1)
|
|
kx = kxx-1
|
|
if(kxx > resolution(1)/2) kx = kx-resolution(1)
|
|
xk(1) = kx/(delt(1)*resolution(1))
|
|
|
|
forall (i=1:3,j=1:3) xkdyad(i,j) = xk(i)*xk(j) ! the dyad is always used and could speed up things by using element-wise multiplication plus summation of array
|
|
if (any(xk /= 0.0_pReal)) then
|
|
xknormdyad = xkdyad * 1.0_pReal/(xk(1)**2+xk(2)**2+xk(3)**2)
|
|
else
|
|
xknormdyad = xkdyad
|
|
endif
|
|
forall(i=1:3,k=1:3) aux33(i,k) = sum(c0(i,:,k,:)*xknormdyad(:,:))
|
|
aux33 = math_inv3x3(aux33)
|
|
forall (p=1:3,q=1:3,i=1:3,j=1:3) g1(p,q,i,j) = -aux33(p,i)*xkdyad(q,j)
|
|
|
|
ddisgrad = 0._pReal
|
|
ddisgradim = 0._pReal
|
|
|
|
do i = 1,3
|
|
do j = 1,3
|
|
if(kx /= 0 .or. ky /= 0 .or. kz /= 0) then
|
|
ddisgrad(i,j) = ddisgrad(i,j) + sum(g1(i,j,:,:)*workfft(kxx,kyy,kzz,:,:))
|
|
ddisgradim(i,j) = ddisgradim(i,j) + sum(g1(i,j,:,:)*workfftim(kxx,kyy,kzz,:,:))
|
|
endif
|
|
enddo; enddo
|
|
|
|
workfft(kxx,kyy,kzz,:,:) = ddisgrad(:,:)
|
|
workfftim(kxx,kyy,kzz,:,:) = ddisgradim(:,:)
|
|
|
|
enddo; enddo; enddo
|
|
|
|
write(*,*) 'INVERSE FFT TO GET DISPLACEMENT GRADIENT FIELD'
|
|
|
|
do ii = 1,3
|
|
do jj = 1,3
|
|
|
|
datafft(1:2*prodnn:2) = reshape(workfft(:,:,:,ii,jj),(/prodnn/))
|
|
datafft(2:2*prodnn:2) = reshape(workfftim(:,:,:,ii,jj),(/prodnn/))
|
|
|
|
if(resolution(3) > 1) then ! distinguish 2D and 3D case
|
|
call fourn(datafft,resolution,3,-1)
|
|
else
|
|
call fourn(datafft,resolution(1:2),2,-1)
|
|
endif
|
|
|
|
disgrad(ii,jj,:,:,:) = disgrad(ii,jj,:,:,:) + ddisgradmacro(ii,jj)
|
|
disgrad(ii,jj,:,:,:) = disgrad(ii,jj,:,:,:) + reshape(datafft(1:2*prodnn:2)*wgt,resolution)
|
|
|
|
enddo; enddo
|
|
|
|
write(*,*) 'UPDATE STRESS FIELD'
|
|
|
|
ielem = 0_pInt
|
|
do k = 1, resolution(3)
|
|
do j = 1, resolution(2)
|
|
do i = 1, resolution(1)
|
|
|
|
ielem = ielem+1
|
|
call CPFEM_general(3,defgradold(:,:,i,j,k),math_i3(:,:)+disgrad(:,:,i,j,k),&
|
|
temperature,timestep,ielem,1_pInt,&
|
|
stress,dsde, pstress, dPdF)
|
|
|
|
enddo; enddo; enddo
|
|
|
|
ielem = 0_pInt
|
|
scauav = 0._pReal
|
|
errs = 0._pReal
|
|
|
|
call debug_reset()
|
|
|
|
do k = 1, resolution(3)
|
|
do j = 1, resolution(2)
|
|
do i = 1, resolution(1)
|
|
|
|
ielem = ielem+1
|
|
call CPFEM_general(2,defgradold(:,:,i,j,k),math_i3(:,:)+disgrad(:,:,i,j,k),&
|
|
temperature,timestep,ielem,1_pInt,&
|
|
stress,dsde, pstress, dPdF)
|
|
|
|
aux33 = math_Mandel6to33(stress)
|
|
|
|
errs = errs + sqrt(sum((sg(i,j,k,:,:)-aux33(:,:))**2))
|
|
|
|
sg(i,j,k,:,:) = aux33
|
|
scauav = scauav + aux33 ! average stress
|
|
|
|
enddo; enddo; enddo
|
|
|
|
call debug_info()
|
|
|
|
errs = errs/sqrt(sum(scauav(:,:)**2))
|
|
|
|
scauav = scauav*wgt ! final weighting
|
|
|
|
! MIXED BC
|
|
|
|
|
|
ddisgradmacro = 0._pReal
|
|
do i = 1,3
|
|
do j = 1,3
|
|
if(iudot(i,j) == 0) &
|
|
ddisgradmacro(i,j) = sum(s0(i,j,:,:)*iscau(:,:)*(scauchy(:,:)-scauav(:,:)))
|
|
enddo; enddo
|
|
ddisgradmacroacum = ddisgradmacroacum+ddisgradmacro
|
|
|
|
write(*,*) 'STRESS FIELD ERROR = ',errs
|
|
write(*,*) 'STRAIN FIELD ERROR = ',erre
|
|
! write(21,101) iter,erre,errs,svm
|
|
!101 format(i3,4(1x,e10.4),10(1x,F7.4))
|
|
|
|
enddo ! convergence iteration
|
|
|
|
disgradmacroactual = disgradmacro+ddisgradmacroacum
|
|
|
|
write(*,*) 'U1,1,U2,2,U3,3'
|
|
write(*,*) disgradmacroactual(1,1),disgradmacroactual(2,2),disgradmacroactual(3,3)
|
|
write(*,*) 'U1,1/U3,3'
|
|
write(*,*) disgradmacroactual(1,1)/disgradmacroactual(3,3)
|
|
write(*,*) 'S11,S22,S33'
|
|
write(*,*) scauav(1,1),scauav(2,2),scauav(3,3)
|
|
|
|
write(56,'(15(e11.4,1x))') disgradmacroactual(1,1),disgradmacroactual(2,2),disgradmacroactual(3,3), &
|
|
disgradmacroactual(2,3),disgradmacroactual(3,1),disgradmacroactual(1,2), &
|
|
disgradmacroactual(3,2),disgradmacroactual(1,3),disgradmacroactual(2,1), &
|
|
scauav(1,1),scauav(2,2),scauav(3,3), &
|
|
scauav(2,3),scauav(3,1),scauav(1,2)
|
|
|
|
IF(IMICRO.EQ.1.OR.IMICRO.EQ.40) THEN
|
|
|
|
IF(IMICRO.EQ.1) THEN
|
|
open(91,file='fields1.out',status='unknown')
|
|
ELSE IF(IMICRO.EQ.40) THEN
|
|
open(91,file='fields40.out',status='unknown')
|
|
ENDIF
|
|
|
|
write(91,*) delt
|
|
|
|
write(91,*) ' x y z ngr ph Ui,j ... Sij ...'
|
|
|
|
do k=1,resolution(3)
|
|
do j=1,resolution(2)
|
|
do i=1,resolution(1)
|
|
|
|
!! write(91,'(5i5,18(e11.3,1x))') i,j,k,jgrain(i,j,k),jphase(i,j,k),
|
|
write(91,'(5i5,18(e11.3,1x))') i,j,k,ione,ione, &
|
|
disgrad(1,1,i,j,k),disgrad(2,2,i,j,k),disgrad(3,3,i,j,k), &
|
|
disgrad(2,3,i,j,k),disgrad(3,1,i,j,k),disgrad(1,2,i,j,k), &
|
|
disgrad(3,2,i,j,k),disgrad(1,3,i,j,k),disgrad(2,1,i,j,k), &
|
|
sg(i,j,k,1,1),sg(i,j,k,2,2),sg(i,j,k,3,3), &
|
|
sg(i,j,k,2,3),sg(i,j,k,3,1),sg(i,j,k,1,2)
|
|
|
|
enddo
|
|
enddo
|
|
enddo
|
|
|
|
close(91)
|
|
|
|
ENDIF
|
|
|
|
enddo ! time stepping through increment
|
|
enddo ! loadcases
|
|
|
|
end program mpie_spectral
|
|
|
|
|
|
!********************************************************************
|
|
! quit subroutine to satisfy IO_error
|
|
!
|
|
!********************************************************************
|
|
subroutine quit(id)
|
|
use prec
|
|
implicit none
|
|
|
|
integer(pInt) id
|
|
|
|
stop
|
|
end subroutine
|
|
|
|
|
|
!********************************************************************
|
|
! fourn subroutine (fourier transform)
|
|
! FROM NUMERICAL RECIPES IN F77 (FIXED FORMAT),
|
|
! CONVERTED INTO FREE FORMAT (RL @ MPIE, JUNE 2010)
|
|
!********************************************************************
|
|
subroutine fourn(data,nn,ndim,isign)
|
|
|
|
use prec, only: pInt,pReal
|
|
use math, only: pi
|
|
implicit none
|
|
|
|
integer(pInt) isign,ndim,nn(ndim)
|
|
real(pReal) data(*)
|
|
integer(pInt) i1,i2,i2rev,i3,i3rev,ibit,idim,ifp1,ifp2,ip1,ip2,ip3,k1,k2,n,nprev,nrem,ntot
|
|
real(pReal) tempi,tempr,theta,wi,wpi,wpr,wr,wtemp
|
|
ntot = 1
|
|
|
|
do idim = 1,ndim
|
|
ntot = ntot*nn(idim)
|
|
enddo
|
|
|
|
nprev = 1
|
|
|
|
do idim = 1,ndim
|
|
n = nn(idim)
|
|
nrem = ntot/(n*nprev)
|
|
ip1 = 2*nprev
|
|
ip2 = ip1*n
|
|
ip3 = ip2*nrem
|
|
i2rev = 1
|
|
do i2 = 1,ip2,ip1
|
|
if(i2.lt.i2rev) then
|
|
do i1 = i2,i2+ip1-2,2
|
|
do i3 = i1,ip3,ip2
|
|
i3rev = i2rev+i3-i2
|
|
tempr = data(i3)
|
|
tempi = data(i3+1)
|
|
data(i3) = data(i3rev)
|
|
data(i3+1) = data(i3rev+1)
|
|
data(i3rev) = tempr
|
|
data(i3rev+1) = tempi
|
|
enddo
|
|
enddo
|
|
endif
|
|
ibit = ip2/2
|
|
do while ((ibit.ge.ip1).and.(i2rev.gt.ibit))
|
|
i2rev = i2rev-ibit
|
|
ibit = ibit/2
|
|
enddo
|
|
i2rev = i2rev+ibit
|
|
enddo
|
|
ifp1 = ip1
|
|
|
|
do while (ifp1.lt.ip2)
|
|
ifp2 = 2*ifp1
|
|
theta = isign*2_pReal*pi/(ifp2/ip1)
|
|
wpr = -2_pReal*sin(0.5_pReal*theta)**2
|
|
wpi = sin(theta)
|
|
wr = 1_pReal
|
|
wi = 0_pReal
|
|
do i3 = 1,ifp1,ip1 ! 17
|
|
do i1 = i3,i3+ip1-2,2 ! 16
|
|
do i2 = i1,ip3,ifp2 ! 15
|
|
k1 = i2
|
|
k2 = k1+ifp1
|
|
tempr = wr*data(k2)-wi*data(k2+1)
|
|
tempi = wr*data(k2+1)+wi*data(k2)
|
|
data(k2) = data(k1)-tempr
|
|
|
|
data(k2+1) = data(k1+1)-tempi
|
|
data(k1) = data(k1)+tempr
|
|
data(k1+1) = data(k1+1)+tempi
|
|
enddo ! 15
|
|
enddo ! 16
|
|
wtemp = wr
|
|
wr = wr*wpr-wi*wpi+wr
|
|
wi = wi*wpr+wtemp*wpi+wi
|
|
!17 continue
|
|
enddo ! 17
|
|
ifp1 = ifp2
|
|
! goto 2
|
|
! endif
|
|
enddo ! do while (if 2)
|
|
|
|
nprev = n*nprev
|
|
!18 continue
|
|
enddo ! 18
|
|
return
|
|
END subroutine
|