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DAMASK_EICMD
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changed calculation of defgrad from cauchy-stress to pk-stress, now working in large-strain-formulation. 

output of msh-file changed to deformed configuration, removed output of defgrad as a field
This commit is contained in:
Martin Diehl 2010-09-07 16:37:55 +00:00
parent 3c5f38643d
commit 1693bfca47
1 changed files with 47 additions and 78 deletions
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119
code/mpie_spectral.f90
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@ -60,13 +60,13 @@ program mpie_spectral
real(pReal), dimension(3) :: meshdimension real(pReal), dimension(3) :: meshdimension
! stress etc. ! stress etc.
real(pReal), dimension(6) :: cstress ! cauchy stress in Mandel notation real(pReal), dimension(6) :: cstress ! cauchy stress in Mandel notation (not needed)
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, compliance
real(pReal), dimension(6,6) :: dsde, s066 real(pReal), dimension(6,6) :: dsde, s066
real(pReal), dimension(3,3) :: defgradmacro real(pReal), dimension(3,3) :: defgradmacro
real(pReal), dimension(3,3) :: cstress_av, defgrad_av, temp33_Real real(pReal), dimension(3,3) :: pstress_av, defgrad_av, temp33_Real
real(pReal), dimension(:,:,:,:,:), allocatable :: cstress_field, defgrad, defgradold, ddefgrad real(pReal), dimension(:,:,:,:,:), allocatable :: pstress_field, defgrad, defgradold, ddefgrad
! variables storing information for spectral method ! variables storing information for spectral method
complex(pReal), dimension(:,:,:,:,:), allocatable :: workfft complex(pReal), dimension(:,:,:,:,:), allocatable :: workfft
@ -81,7 +81,7 @@ program mpie_spectral
logical errmatinv logical errmatinv
integer(pInt) itmax, ierr integer(pInt) itmax, ierr
real(pReal) error, err_stress_av, err_stress_max, err_strain_av, err_strain_max real(pReal) error, err_stress_av, err_stress_max, err_strain_av, err_strain_max
real(pReal), dimension(3,3) :: strain_err, cstress_err real(pReal), dimension(3,3) :: strain_err, pstress_err
! loop variables etc. ! loop variables etc.
integer(pInt) i, j, k, l, m, n, p integer(pInt) i, j, k, l, m, n, p
@ -104,11 +104,7 @@ program mpie_spectral
N_t = 0_pInt N_t = 0_pInt
N_n = 0_pInt N_n = 0_pInt
cstress_err = .0_pReal; strain_err = .0_pReal pstress_err = .0_pReal; strain_err = .0_pReal
cstress = .0_pReal
dsde = .0_pReal
resolution = 1_pInt; meshdimension = .0_pReal resolution = 1_pInt; meshdimension = .0_pReal
error = 0.001_pReal error = 0.001_pReal
@ -192,13 +188,8 @@ program mpie_spectral
200 close(unit) 200 close(unit)
! consistency checks
do i = 1, N_Loadcases do i = 1, N_Loadcases
if (any(bc_mask(:,:,1,i) == bc_mask(:,:,2,i))) & if (any(bc_mask(:,:,1,i) == bc_mask(:,:,2,i))) call IO_error(47,i) ! bc_mask consistency
call IO_error(47,i) ! bc_mask consistency
if (any(math_transpose3x3(bc_stress(:,:,i)) + bc_stress(:,:,i) /= 2.0_pReal * bc_stress(:,:,i))) &
call IO_error(48,i) ! bc_stress symmetry
print '(a,/,3(3(f12.6,x)/))','L',bc_velocityGrad(:,:,i) print '(a,/,3(3(f12.6,x)/))','L',bc_velocityGrad(:,:,i)
print '(a,/,3(3(f12.6,x)/))','bc_stress',bc_stress(:,:,i) print '(a,/,3(3(f12.6,x)/))','bc_stress',bc_stress(:,:,i)
print '(a,/,3(3(l,x)/))','bc_mask for velocitygrad',bc_mask(:,:,1,i) print '(a,/,3(3(l,x)/))','bc_mask for velocitygrad',bc_mask(:,:,1,i)
@ -260,7 +251,7 @@ 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 (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 (pstress_field(resolution(1),resolution(2),resolution(3),3,3)); pstress_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
allocate (ddefgrad(resolution(1),resolution(2),resolution(3),3,3)); ddefgrad = .0_pReal allocate (ddefgrad(resolution(1),resolution(2),resolution(3),3,3)); ddefgrad = .0_pReal
@ -269,28 +260,27 @@ program mpie_spectral
call dfftw_plan_with_nthreads(4) call dfftw_plan_with_nthreads(4)
do m = 1,3; do n = 1,3 do m = 1,3; do n = 1,3
call dfftw_plan_dft_r2c_3d(plan_fft(1,m,n),resolution(1),resolution(2),resolution(3),& call dfftw_plan_dft_r2c_3d(plan_fft(1,m,n),resolution(1),resolution(2),resolution(3),&
cstress_field(:,:,:,m,n), workfft(:,:,:,m,n), FFTW_PATIENT, FFTW_DESTROY_INPUT) pstress_field(:,:,:,m,n), workfft(:,:,:,m,n), FFTW_PATIENT, FFTW_DESTROY_INPUT)
call dfftw_plan_dft_c2r_3d(plan_fft(2,m,n),resolution(1),resolution(2),resolution(3),& call dfftw_plan_dft_c2r_3d(plan_fft(2,m,n),resolution(1),resolution(2),resolution(3),&
workfft(:,:,:,m,n), ddefgrad(:,:,:,m,n), FFTW_PATIENT) workfft(:,:,:,m,n), ddefgrad(:,:,:,m,n), FFTW_PATIENT)
enddo; enddo enddo; enddo
prodnn = resolution(1)*resolution(2)*resolution(3) prodnn = resolution(1)*resolution(2)*resolution(3)
wgt = 1._pReal/real(prodnn, pReal) wgt = 1._pReal/real(prodnn, pReal)
ielem = 0_pInt
c0 = .0_pReal
defgradmacro = math_I3 defgradmacro = math_I3
c0 = .0_pReal
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)
defgradold(i,j,k,:,:) = math_I3 !no deformation at the beginning defgradold(i,j,k,:,:) = math_I3 !no deformation at the beginning
defgrad(i,j,k,:,:) = math_I3 defgrad(i,j,k,:,:) = math_I3
ielem = ielem +1 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)
c0 = c0 + math_Mandel66to3333(dsde) c0 = c0 + dPdF
enddo; enddo; enddo enddo; enddo; enddo
call math_invert(6,math_Mandel3333to66(c0),s066,i,errmatinv) !i is just a dummy variable call math_invert(6,math_Mandel3333to66(c0),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 (and remove No. 48)
s0 = math_Mandel66to3333(s066)*real(prodnn, pReal) s0 = math_Mandel66to3333(s066)*real(prodnn, pReal)
!calculation of xknormdyad (needed to calculate gamma_hat) !calculation of xknormdyad (needed to calculate gamma_hat)
@ -312,6 +302,7 @@ program mpie_spectral
xknormdyad(i,j,k, 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
enddo; enddo; enddo enddo; enddo; enddo
! Initialization done ! Initialization done
@ -332,14 +323,17 @@ program mpie_spectral
write(*,*) '***************************************************' write(*,*) '***************************************************'
write(*,*) 'STEP = ',steps write(*,*) 'STEP = ',steps
defgradmacro = defgradmacro&
+ math_mul33x33(bc_velocityGrad(:,:,loadcase), defgradmacro)*timeinc !update macroscopic displacement gradient (stores the desired BCs of defgrad)
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 * (defgrad(i,j,k,:,:) - defgradold(i,j,k,:,:))& ! old fluctuations as guess for new step defgrad(i,j,k,:,:) = defgrad(i,j,k,:,:)&
+ (1.0_pReal-guessmode) * bc_velocityGrad(:,:,loadcase)*timeinc ! homogeneous fluctuations for new loadcase + guessmode * (defgrad(i,j,k,:,:) - defgradold(i,j,k,:,:))& ! old fluctuations as guess for new step
defgradold(i,j,k,:,:) = temp33_Real ! wind forward + (1.0_pReal-guessmode) * math_mul33x33(bc_velocityGrad(:,:,loadcase),defgradold(i,j,k,:,:))*timeinc ! no fluctuations for new loadcase
defgradold(i,j,k,:,:) = temp33_Real
enddo; enddo; enddo enddo; enddo; enddo
defgradmacro = defgradmacro + bc_velocityGrad(:,:,loadcase)*timeinc !update macroscopic displacement gradient (stores the desired BCs of defgrad)
guessmode = 1.0_pReal ! keep guessing along former trajectory guessmode = 1.0_pReal ! keep guessing along former trajectory
calcmode = 1_pInt calcmode = 1_pInt
iter = 0_pInt iter = 0_pInt
@ -348,12 +342,12 @@ program mpie_spectral
!************************************************************* !*************************************************************
! convergency loop ! convergency loop
do while((iter <= itmax).and.((err_stress_av > error).or.(err_strain_av > error))) do while((iter <= itmax).and.((err_stress_av > error).or.(err_strain_av > error)))
iter = iter+1 iter = iter + 1
write(*,*) 'ITER = ',iter write(*,*) 'ITER = ',iter
!************************************************************* !*************************************************************
err_strain_av = .0_pReal; err_stress_av = .0_pReal err_strain_av = .0_pReal; err_stress_av = .0_pReal
err_strain_max = .0_pReal; err_stress_max = .0_pReal err_strain_max = .0_pReal; err_stress_max = .0_pReal
cstress_av = .0_pReal; defgrad_av=.0_pReal pstress_av = .0_pReal; defgrad_av=.0_pReal
write(*,*) 'UPDATE STRESS FIELD' write(*,*) 'UPDATE STRESS FIELD'
ielem = 0_pInt ielem = 0_pInt
@ -367,7 +361,6 @@ program mpie_spectral
c0 = .0_pReal 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)
@ -375,25 +368,25 @@ program mpie_spectral
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) c0 = c0 + dPdF
temp33_Real = math_Mandel6to33(cstress) temp33_Real = pstress
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_pReal * 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(pstress_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)) err_stress_av = err_stress_av + abs((pstress_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((pstress_field(i,j,k,m,n)-temp33_Real(m,n))/temp33_Real(m,n)))
l=l+1 l=l+1
endif endif
enddo; enddo enddo; enddo
cstress_field(i,j,k,:,:) = temp33_Real pstress_field(i,j,k,:,:) = temp33_Real
cstress_av = cstress_av + temp33_Real ! average stress pstress_av = pstress_av + temp33_Real ! average stress
enddo; enddo; enddo enddo; enddo; enddo
err_stress_av = err_stress_av/l ! do the weighting of the error err_stress_av = err_stress_av/l ! do the weighting of the error
cstress_av = cstress_av*wgt ! do the weighting of average stress pstress_av = pstress_av*wgt ! do the weighting of average stress
cstress_err = cstress_av pstress_err = pstress_av
if(iter==1) then !update reference stiffness for gamma_hat if(iter==1) then !update gamma_hat with new reference stiffness
c0 = c0 *wgt c0 = c0 *wgt
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)/2+1 do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)/2+1
temp33_Real = .0_pReal temp33_Real = .0_pReal
@ -409,7 +402,7 @@ program mpie_spectral
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), pstress_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 do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)/2+1
@ -447,8 +440,8 @@ program mpie_spectral
if(bc_mask(m,n,1,loadcase)) then ! adjust defgrad to fulfill displacement BC (defgradmacro) if(bc_mask(m,n,1,loadcase)) then ! adjust defgrad to fulfill displacement BC (defgradmacro)
defgrad(:,:,:,m,n) = defgrad(:,:,:,m,n) + (defgradmacro(m,n)-defgrad_av(m,n)) defgrad(:,:,:,m,n) = defgrad(:,:,:,m,n) + (defgradmacro(m,n)-defgrad_av(m,n))
else ! adjust defgrad to fulfill stress BC else ! adjust defgrad to fulfill stress BC
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(:,:,loadcase)-pstress_av(:,:)), &
mask = bc_mask(:,:,2,loadcase) ) mask = bc_mask(:,:,2,loadcase) ) !works at the moment only for 0 Stress as BC
endif endif
enddo; enddo enddo; enddo
@ -458,49 +451,25 @@ program mpie_spectral
write(*,*) 'STRAIN FIELD ERROR MAX = ',err_strain_max write(*,*) 'STRAIN FIELD ERROR MAX = ',err_strain_max
enddo ! end looping when convergency is achieved enddo ! end looping when convergency is achieved
write(539,'(f12.6,a,f12.6)'),defgrad_av(3,3)-1,' ',cstress_av(3,3) write(539,'(f12.6,a,f12.6)'),defgrad_av(3,3)-1,' ',pstress_av(3,3)
write(*,*) 'U11 U22 U33' write(*,*) 'U11 U22 U33'
write(*,*) defgrad_av(1,1)-1,defgrad_av(2,2)-1,defgrad_av(3,3)-1 write(*,*) defgrad_av(1,1)-1,defgrad_av(2,2)-1,defgrad_av(3,3)-1
write(*,*) 'U11/U33' write(*,*) 'U11/U33'
write(*,*) (defgrad_av(1,1)-1)/(defgrad_av(3,3)-1) write(*,*) (defgrad_av(1,1)-1)/(defgrad_av(3,3)-1)
write(*,*) 'S11 S22 S33' write(*,*) 'S11 S22 S33'
write(*,*) cstress_av(1,1),cstress_av(2,2),cstress_av(3,3) write(*,*) pstress_av(1,1),pstress_av(2,2),pstress_av(3,3)
!gsmh output !gsmh output
write(nriter, *) iter
write(nrstep, *) steps
nrstep='defgrad'//trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh'
open(589,file=nrstep)
write(589, '(A, /, A, /, A, /, A, /, I10)'), '$MeshFormat', '2.1 0 8', '$EndMeshFormat', '$Nodes', prodnn
do i = 1, prodnn
write(589, '(I10, I10, I10, I10)'), i, mod((i-1), resolution(1)) +1, mod(((i-1)/resolution(1)),&
resolution(2)) +1, mod(((i-1)/(resolution(1)*resolution(2))), resolution(3)) +1
enddo
write(589, '(A, /, A, /, I10)'), '$EndNodes', '$Elements', prodnn
do i = 1, prodnn
write(589, '(I10, A, I10)'), i, ' 15 2 1 2', i
enddo
write(589, '(A)'), '$EndElements'
write(589, '(A, /, A, /, A, /, A, /, A, /, A, /, A, /, A, /, I10)'), '$NodeData', '1',&
'"'//trim(adjustl(nrstep))//'"', '1','0.0', '3', '0', '9', prodnn
ielem = 0_pInt
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
ielem = ielem + 1
write(589, '(i10,f16.8,tr2,f16.8,tr2,f16.8,tr2,f16.8,tr2,f16.8,tr2,f16.8,&
tr2,f16.8,tr2,f16.8,tr2,f16.8,tr2)'), ielem, defgrad(i,j,k,:,:)
enddo; enddo; enddo
write(589, *), '$EndNodeData'
close(589)
write(nriter, *) iter write(nriter, *) iter
write(nrstep, *) steps write(nrstep, *) steps
nrstep = 'stress'//trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh' nrstep = 'stress'//trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh'
open(589,file = nrstep) open(589,file = nrstep)
write(589, '(A, /, A, /, A, /, A, /, I10)'), '$MeshFormat', '2.1 0 8', '$EndMeshFormat', '$Nodes', prodnn write(589, '(A, /, A, /, A, /, A, /, I10)'), '$MeshFormat', '2.1 0 8', '$EndMeshFormat', '$Nodes', prodnn
do i = 1, prodnn ielem = 0_pInt
write(589, '(I10, I10, I10, I10)'), i, mod((i-1), resolution(1)) +1, mod(((i-1)/resolution(1)),& do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
resolution(2)) +1, mod(((i-1)/(resolution(1)*resolution(2))), resolution(3)) +1 ielem = ielem + 1
enddo write(589, '(I10,f16.8,tr2,f16.8,tr2,f16.8)'), ielem,math_mul33x3(defgrad(i,j,k,:,:),real((/i, j, k/), pReal))
enddo; enddo; enddo
write(589, '(A, /, A, /, I10)'), '$EndNodes', '$Elements', prodnn write(589, '(A, /, A, /, I10)'), '$EndNodes', '$Elements', prodnn
do i = 1, prodnn do i = 1, prodnn
write(589, '(I10, A, I10)'), i, ' 15 2 1 2', i write(589, '(I10, A, I10)'), i, ' 15 2 1 2', i
@ -512,7 +481,7 @@ 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
write(589, '(i10,f16.8,tr2,f16.8,tr2,f16.8,tr2,f16.8,tr2,f16.8,tr2,f16.8,& write(589, '(i10,f16.8,tr2,f16.8,tr2,f16.8,tr2,f16.8,tr2,f16.8,tr2,f16.8,&
tr2,f16.8,tr2,f16.8,tr2,f16.8,tr2)'), ielem, cstress_field(i,j,k,:,:) tr2,f16.8,tr2,f16.8,tr2,f16.8,tr2)'), ielem, pstress_field(i,j,k,:,:)
enddo; enddo; enddo enddo; enddo; enddo
write(589, *), '$EndNodeData' write(589, *), '$EndNodeData'
close(589) close(589)