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DAMASK_EICMD
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now using current average stiffness for reference material stiffness

This commit is contained in:
Martin Diehl 2010-09-06 10:00:59 +00:00
parent c19524f264
commit 00922705eb
1 changed files with 75 additions and 84 deletions
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143
code/mpie_spectral.f90
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@ -31,7 +31,7 @@ program mpie_spectral
use CPFEM, only: CPFEM_general use CPFEM, only: CPFEM_general
implicit none implicit none
include 'fftw3.f' !header file for fftw3 (declaring variables) library file is also needed include 'fftw3.f' !header file for fftw3 (declaring variables). Library file is also needed
!variables to read in from loadcase and mesh file !variables to read in from loadcase and mesh file
real(pReal), dimension(9) :: valuevector ! stores information temporarily from loadcase file real(pReal), dimension(9) :: valuevector ! stores information temporarily from loadcase file
@ -47,7 +47,6 @@ program mpie_spectral
! variables storing information from loadcase file ! variables storing information from loadcase file
integer(pInt) N_Loadcases, steps integer(pInt) N_Loadcases, steps
integer(pInt), dimension(:), allocatable :: bc_steps ! number of steps integer(pInt), dimension(:), allocatable :: bc_steps ! number of steps
integer(pInt), dimension (3,3) :: bc_stress_i ! conversion from bc_mask
real(pReal) timeinc real(pReal) timeinc
real(pReal), dimension (:,:,:), allocatable :: bc_velocityGrad, & real(pReal), dimension (:,:,:), allocatable :: bc_velocityGrad, &
bc_stress ! velocity gradient and stress BC bc_stress ! velocity gradient and stress BC
@ -63,9 +62,9 @@ program mpie_spectral
! stress etc. ! stress etc.
real(pReal), dimension(6) :: cstress ! cauchy stress in Mandel notation real(pReal), dimension(6) :: cstress ! cauchy stress in Mandel notation
real(pReal), dimension(3,3) :: pstress ! Piola-Kirchhoff stress in Matrix notation real(pReal), dimension(3,3) :: pstress ! Piola-Kirchhoff stress in Matrix notation
real(pReal), dimension(3,3,3,3) :: dPdF,c0,s0 ! ??, reference stiffnes, (reference stiffness)^-1 real(pReal), dimension(3,3,3,3) :: dPdF, c0, s0 ! ??, reference stiffnes, (reference stiffness)^-1
real(pReal), dimension(6,6) :: dsde,c066,s066 ! mandel notation real(pReal), dimension(6,6) :: dsde, s066
real(pReal), dimension(3,3) :: disgradmacro real(pReal), dimension(3,3) :: defgradmacro
real(pReal), dimension(3,3) :: cstress_av, defgrad_av, temp33_Real real(pReal), dimension(3,3) :: cstress_av, defgrad_av, temp33_Real
real(pReal), dimension(:,:,:,:,:), allocatable :: cstress_field, defgrad, defgradold, ddefgrad real(pReal), dimension(:,:,:,:,:), allocatable :: cstress_field, defgrad, defgradold, ddefgrad
@ -73,8 +72,8 @@ program mpie_spectral
complex(pReal), dimension(:,:,:,:,:), allocatable :: workfft complex(pReal), dimension(:,:,:,:,:), allocatable :: workfft
complex(pReal), dimension(3,3) :: temp33_Complex complex(pReal), dimension(3,3) :: temp33_Complex
real(pReal), dimension(:,:,:,:,:,:,:), allocatable :: gamma_hat real(pReal), dimension(:,:,:,:,:,:,:), allocatable :: gamma_hat
real(pReal), dimension(:,:,:,:,:), allocatable :: xknormdyad
real(pReal), dimension(3) :: xk real(pReal), dimension(3) :: xk
real(pReal), dimension(3,3) :: xknormdyad
integer(pInt), dimension(3) :: k_s integer(pInt), dimension(3) :: k_s
integer*8, dimension(2,3,3) :: plan_fft integer*8, dimension(2,3,3) :: plan_fft
@ -86,15 +85,15 @@ program mpie_spectral
! loop variables etc. ! loop variables etc.
integer(pInt) i, j, k, l, m, n, p integer(pInt) i, j, k, l, m, n, p
integer(pInt) loadcase, ielem, ial, iter, calcmode integer(pInt) loadcase, ielem, iter, calcmode
real(pReal), dimension(2) :: guessmode real(pReal) guessmode ! flip-flop to guess defgrad fluctuation field evolution
real(pReal) temperature ! not used, but needed real(pReal) temperature ! not used, but needed
!gmsh !gmsh output
character(len=1024) :: nriter character(len=1024) :: nriter
character(len=1024) :: nrstep character(len=1024) :: nrstep
!gmsh !gmsh output
!Initializing !Initializing
bc_maskvector = '' bc_maskvector = ''
@ -105,9 +104,6 @@ program mpie_spectral
N_t = 0_pInt N_t = 0_pInt
N_n = 0_pInt N_n = 0_pInt
disgradmacro = .0_pReal
c0 = .0_pReal; c066 = .0_pReal
s0 = .0_pReal; s066 = .0_pReal
cstress_err = .0_pReal; strain_err = .0_pReal cstress_err = .0_pReal; strain_err = .0_pReal
cstress = .0_pReal cstress = .0_pReal
@ -122,7 +118,7 @@ program mpie_spectral
gotResolution =.false.; gotDimension =.false.; gotHomogenization = .false. gotResolution =.false.; gotDimension =.false.; gotHomogenization = .false.
if (IargC() < 2) call IO_error(102) ! check for correct Nr. of arguments given if (IargC() < 2) call IO_error(102) ! check for correct number of arguments given
! Reading the loadcase file and assign variables ! Reading the loadcase file and assign variables
path = getLoadcaseName() path = getLoadcaseName()
@ -263,6 +259,7 @@ program mpie_spectral
allocate (workfft(resolution(1)/2+1,resolution(2),resolution(3),3,3)); workfft = .0_pReal allocate (workfft(resolution(1)/2+1,resolution(2),resolution(3),3,3)); workfft = .0_pReal
allocate (gamma_hat(resolution(1)/2+1,resolution(2),resolution(3),3,3,3,3)); gamma_hat = .0_pReal allocate (gamma_hat(resolution(1)/2+1,resolution(2),resolution(3),3,3,3,3)); gamma_hat = .0_pReal
allocate (xknormdyad(resolution(1)/2+1,resolution(2),resolution(3),3,3)); xknormdyad = .0_pReal
allocate (cstress_field(resolution(1),resolution(2),resolution(3),3,3)); cstress_field = .0_pReal allocate (cstress_field(resolution(1),resolution(2),resolution(3),3,3)); cstress_field = .0_pReal
allocate (defgrad(resolution(1),resolution(2),resolution(3),3,3)); defgrad = .0_pReal allocate (defgrad(resolution(1),resolution(2),resolution(3),3,3)); defgrad = .0_pReal
allocate (defgradold(resolution(1),resolution(2),resolution(3),3,3)); defgradold = .0_pReal allocate (defgradold(resolution(1),resolution(2),resolution(3),3,3)); defgradold = .0_pReal
@ -281,24 +278,22 @@ program mpie_spectral
wgt = 1._pReal/real(prodnn, pReal) wgt = 1._pReal/real(prodnn, pReal)
ielem = 0_pInt ielem = 0_pInt
c0 = .0_pReal
defgradmacro = math_I3
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1) do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
defgradold(i,j,k,:,:) = math_I3 !to fit calculation of first step to calculation of following steps defgradold(i,j,k,:,:) = math_I3 !no deformation at the beginning
defgrad(i,j,k,:,:) = math_I3 !to fit calculation of first step to calculation of following steps defgrad(i,j,k,:,:) = math_I3
ielem = ielem +1 !loop over FPs and determine elastic constants of reference material ielem = ielem +1
call CPFEM_general(2,math_I3,math_I3,temperature,0.0_pReal,ielem,1_pInt,cstress,dsde,pstress,dPdF) call CPFEM_general(2,math_I3,math_I3,temperature,0.0_pReal,ielem,1_pInt,cstress,dsde,pstress,dPdF)
c066 = c066 + dsde c0 = c0 + math_Mandel66to3333(dsde)
enddo; enddo; enddo enddo; enddo; enddo
c066 = c066*wgt call math_invert(6,math_Mandel3333to66(c0),s066,i,errmatinv) !i is just a dummy variable
call math_invert(6,c066,s066,i,errmatinv) !i is just a dummy variable
if(errmatinv) call IO_error(45,ext_msg = "problem in c0 inversion") ! todo: change number and add message to io.f90 if(errmatinv) call IO_error(45,ext_msg = "problem in c0 inversion") ! todo: change number and add message to io.f90
s0 = math_Mandel66to3333(s066)*real(prodnn, pReal)
s0 = math_Mandel66to3333(s066) !calculation of xknormdyad (needed to calculate gamma_hat)
c0 = math_Mandel66to3333(c066)
!calculation of gamma_hat (only approx half of it)
do k = 1, resolution(3) do k = 1, resolution(3)
k_s(3) = k-1 k_s(3) = k-1
if(k > resolution(3)/2+1) k_s(3) = k_s(3)-resolution(3) if(k > resolution(3)/2+1) k_s(3) = k_s(3)-resolution(3)
@ -312,43 +307,23 @@ program mpie_spectral
k_s(1) = i-1 k_s(1) = i-1
xk(1) = real(k_s(1), pReal)/meshdimension(1) xk(1) = real(k_s(1), pReal)/meshdimension(1)
xknormdyad=.0_pReal
if (any(xk /= .0_pReal)) then if (any(xk /= .0_pReal)) then
do l = 1,3; do m = 1,3 do l = 1,3; do m = 1,3
xknormdyad(l,m) = xk(l)*xk(m)/(xk(1)**2+xk(2)**2+xk(3)**2) xknormdyad(i,j,k, l,m) = xk(l)*xk(m)/(xk(1)**2+xk(2)**2+xk(3)**2)
enddo; enddo enddo; enddo
endif endif
!forall loops don't work for the next 2 loop constructs!!!
temp33_Real = .0_pReal
do l = 1,3; do m = 1,3; do n = 1,3; do p = 1,3
temp33_Real(l,m) = temp33_Real(l,m)+c0(l,n,m,p)*xknormdyad(n,p)
enddo; enddo; enddo; enddo
temp33_Real = math_inv3x3(temp33_Real)
do l=1,3; do m=1,3; do n=1,3; do p=1,3
gamma_hat(i,j,k,l,m,n,p) = -temp33_Real(l,n)*xknormdyad(m,p)
enddo; enddo; enddo; enddo
enddo; enddo; enddo enddo; enddo; enddo
! Initialization done ! Initialization done
open(539,file='stress-strain.out') open(539,file='stress-strain.out')
!************************************************************* !*************************************************************
!Loop over loadcases defined in the loadcase file !Loop over loadcases defined in the loadcase file
do loadcase = 1, N_Loadcases do loadcase = 1, N_Loadcases
!************************************************************* !*************************************************************
bc_stress_i = 0_pInt !convert information about stress BC's from bc_mask in an integer-array
do m = 1,3; do n = 1,3
if(bc_mask(m,n,2,loadcase)) bc_stress_i(m,n) = 1
enddo; enddo
timeinc = bc_timeIncrement(loadcase)/bc_steps(loadcase) timeinc = bc_timeIncrement(loadcase)/bc_steps(loadcase)
guessmode = 0.0_pReal ! change of load case
guessmode(1) =.0_pReal
guessmode(2) = 1_pReal
!************************************************************* !*************************************************************
! loop oper steps defined in input file for current loadcase ! loop oper steps defined in input file for current loadcase
@ -359,14 +334,13 @@ program mpie_spectral
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1) do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
temp33_Real = defgrad(i,j,k,:,:) temp33_Real = defgrad(i,j,k,:,:)
defgrad(i,j,k,:,:) = defgrad(i,j,k,:,:) + guessmode(1)*(defgrad(i,j,k,:,:) - defgradold(i,j,k,:,:))& ! old fluctuations as guess for new step defgrad(i,j,k,:,:) = defgrad(i,j,k,:,:) + guessmode * (defgrad(i,j,k,:,:) - defgradold(i,j,k,:,:))& ! old fluctuations as guess for new step
+ guessmode(2)*bc_velocityGrad(:,:,loadcase)*timeinc ! homogeneous fluctuations for new loadcase + (1.0_pReal-guessmode) * bc_velocityGrad(:,:,loadcase)*timeinc ! homogeneous fluctuations for new loadcase
defgradold(i,j,k,:,:) = temp33_Real ! wind forward defgradold(i,j,k,:,:) = temp33_Real ! wind forward
enddo; enddo; enddo enddo; enddo; enddo
disgradmacro = disgradmacro + bc_velocityGrad(:,:,loadcase)*timeinc !update macroscopic displacementgradient (stores the desired BCs of defgrad) defgradmacro = defgradmacro + bc_velocityGrad(:,:,loadcase)*timeinc !update macroscopic displacement gradient (stores the desired BCs of defgrad)
guessmode(1)= 1_pReal guessmode = 1.0_pReal ! keep guessing along former trajectory
guessmode(2)=.0_pReal
calcmode = 1_pInt calcmode = 1_pInt
iter = 0_pInt iter = 0_pInt
err_stress_av = 2.*error; err_strain_av = 2.*error err_stress_av = 2.*error; err_strain_av = 2.*error
@ -386,25 +360,27 @@ program mpie_spectral
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1) do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
ielem = ielem + 1 ielem = ielem + 1
call CPFEM_general(3, defgradold(i,j,k,:,:), defgrad(i,j,k,:,:),& call CPFEM_general(3, defgradold(i,j,k,:,:), defgrad(i,j,k,:,:),&
temperature,timeinc,ielem,1_pInt,& temperature,timeinc,ielem,1_pInt,&
cstress,dsde, pstress, dPdF) cstress,dsde, pstress, dPdF)
enddo; enddo; enddo enddo; enddo; enddo
c0 = .0_pReal
l = 0_pInt l = 0_pInt
ielem = 0_pInt ielem = 0_pInt
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
ielem = ielem + 1 ielem = ielem + 1
call CPFEM_general(calcmode,& ! first element in first iteration retains calcMode 1, others get 2 (saves winding forward effort) call CPFEM_general(calcmode,& ! first element in first iteration retains calcMode 1, others get 2 (saves winding forward effort)
defgradold(i,j,k,:,:), defgrad(i,j,k,:,:),& defgradold(i,j,k,:,:), defgrad(i,j,k,:,:),&
temperature,timeinc,ielem,1_pInt,& temperature,timeinc,ielem,1_pInt,&
cstress,dsde, pstress, dPdF) cstress,dsde, pstress, dPdF)
calcmode = 2 calcmode = 2
c0 = c0 + math_Mandel66to3333(dsde)
temp33_Real = math_Mandel6to33(cstress) temp33_Real = math_Mandel6to33(cstress)
do m = 1,3; do n = 1,3 ! calculate stress error do m = 1,3; do n = 1,3 ! calculate stress error
if(abs(temp33_Real(m,n)) > 0.1 * abs(cstress_err(m,n))) then ! only stress components larger than 10% are taking under consideration if(abs(temp33_Real(m,n)) > 0.1_pReal * abs(cstress_err(m,n))) then ! only stress components larger than 10% are taking under consideration
err_stress_av = err_stress_av + abs((cstress_field(i,j,k,m,n)-temp33_Real(m,n))/temp33_Real(m,n)) !any find maxval> leave loop err_stress_av = err_stress_av + abs((cstress_field(i,j,k,m,n)-temp33_Real(m,n))/temp33_Real(m,n))
err_stress_max = max(err_stress_max, abs((cstress_field(i,j,k,m,n)-temp33_Real(m,n))/temp33_Real(m,n))) err_stress_max = max(err_stress_max, abs((cstress_field(i,j,k,m,n)-temp33_Real(m,n))/temp33_Real(m,n)))
l=l+1 l=l+1
endif endif
@ -417,15 +393,29 @@ program mpie_spectral
cstress_av = cstress_av*wgt ! do the weighting of average stress cstress_av = cstress_av*wgt ! do the weighting of average stress
cstress_err = cstress_av cstress_err = cstress_av
if(iter==1) then !update reference stiffness for gamma_hat
c0 = c0 *wgt
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)/2+1
temp33_Real = .0_pReal
do l = 1,3; do m = 1,3; do n = 1,3; do p = 1,3
temp33_Real(l,m) = temp33_Real(l,m)+c0(l,n,m,p)*xknormdyad(i,j,k, n,p)
enddo; enddo; enddo; enddo
temp33_Real = math_inv3x3(temp33_Real)
do l=1,3; do m=1,3; do n=1,3; do p=1,3
gamma_hat(i,j,k, l,m,n,p) = -temp33_Real(l,n)*xknormdyad(i,j,k, m,p)
enddo; enddo; enddo; enddo
enddo; enddo; enddo
endif
write(*,*) 'SPECTRAL METHOD TO GET CHANGE OF DEFORMATION GRADIENT FIELD' write(*,*) 'SPECTRAL METHOD TO GET CHANGE OF DEFORMATION GRADIENT FIELD'
do m = 1,3; do n = 1,3 do m = 1,3; do n = 1,3
call dfftw_execute_dft_r2c(plan_fft(1,m,n), cstress_field(:,:,:,m,n),workfft(:,:,:,m,n)) call dfftw_execute_dft_r2c(plan_fft(1,m,n), cstress_field(:,:,:,m,n),workfft(:,:,:,m,n))
enddo; enddo enddo; enddo
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)/2+1 !no better way to do the calculation??? do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)/2+1
temp33_Complex = .0_pReal temp33_Complex = .0_pReal
do m = 1,3; do n = 1,3 do m = 1,3; do n = 1,3
temp33_Complex(m,n) = temp33_Complex(m,n) +sum(gamma_hat(i,j,k,m,n,:,:) * workfft(i,j,k,:,:)) temp33_Complex(m,n) = sum(gamma_hat(i,j,k,m,n,:,:) * workfft(i,j,k,:,:))
enddo; enddo enddo; enddo
workfft(i,j,k,:,:) = temp33_Complex(:,:) workfft(i,j,k,:,:) = temp33_Complex(:,:)
enddo; enddo; enddo enddo; enddo; enddo
@ -434,15 +424,16 @@ program mpie_spectral
call dfftw_execute_dft_c2r(plan_fft(2,m,n), workfft(:,:,:,m,n),ddefgrad(:,:,:,m,n)) call dfftw_execute_dft_c2r(plan_fft(2,m,n), workfft(:,:,:,m,n),ddefgrad(:,:,:,m,n))
enddo; enddo enddo; enddo
defgrad = defgrad + ddefgrad * wgt ddefgrad = ddefgrad * wgt
defgrad = defgrad + ddefgrad
l = 0_pInt l = 0_pInt
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1) do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
defgrad_av(:,:) = defgrad_av(:,:) + defgrad(i,j,k,:,:) ! calculate average strain defgrad_av(:,:) = defgrad_av(:,:) + defgrad(i,j,k,:,:) ! calculate average strain
do m = 1,3; do n = 1,3 ! calculate strain error do m = 1,3; do n = 1,3 ! calculate strain error
if(abs(defgrad(i,j,k,m,n)) > 0.1 * abs(strain_err(m,n))) then if(abs(defgrad(i,j,k,m,n)) > 0.1 * abs(strain_err(m,n))) then
err_strain_av = err_strain_av + abs((real(ddefgrad(i,j,k,m,n), pReal)*wgt)/defgrad(i,j,k,m,n)) err_strain_av = err_strain_av + abs(real(ddefgrad(i,j,k,m,n), pReal)/defgrad(i,j,k,m,n))
err_strain_max = max(err_strain_max, abs((real(ddefgrad(i,j,k,m,n), pReal)*wgt)/defgrad(i,j,k,m,n))) err_strain_max = max(err_strain_max, abs(real(ddefgrad(i,j,k,m,n), pReal)/defgrad(i,j,k,m,n)))
l=l+1 l=l+1
endif endif
enddo; enddo enddo; enddo
@ -453,11 +444,11 @@ program mpie_spectral
strain_err = defgrad_av strain_err = defgrad_av
do m = 1,3; do n = 1,3 do m = 1,3; do n = 1,3
if(bc_mask(m,n,1,loadcase)) then !adjust defgrad to achieve displacement BC (disgradmacro) if(bc_mask(m,n,1,loadcase)) then ! adjust defgrad to fulfill displacement BC (defgradmacro)
defgrad(:,:,:,m,n) = defgrad(:,:,:,m,n) + (disgradmacro(m,n)+math_I3(m,n)-defgrad_av(m,n)) defgrad(:,:,:,m,n) = defgrad(:,:,:,m,n) + (defgradmacro(m,n)-defgrad_av(m,n))
endif else ! adjust defgrad to fulfill stress BC
if(bc_mask(m,n,2,loadcase)) then !adjust defgrad to achieve convergency in stress defgrad(:,:,:,m,n) = defgrad(:,:,:,m,n) + sum( s0(m,n,:,:)*(bc_stress(:,:,loadcase)-cstress_av(:,:)), &
defgrad(:,:,:,m,n) = defgrad(:,:,:,m,n) + sum(s0(m,n,:,:)*bc_stress_i(:,:)*(bc_stress(:,:,loadcase)-cstress_av(:,:))) mask = bc_mask(:,:,2,loadcase) )
endif endif
enddo; enddo enddo; enddo
@ -527,8 +518,8 @@ program mpie_spectral
close(589) close(589)
!end gmsh !end gmsh
enddo ! end loping over steps in current loadcase enddo ! end looping over steps in current loadcase
enddo ! end looping over loadcases enddo ! end looping over loadcases
close(539) close(539)
do i=1,2; do m = 1,3; do n = 1,3 do i=1,2; do m = 1,3; do n = 1,3