polishing, changed calculation of stress BC.
prevent updating of gamma hat in case of perfect plasticity
This commit is contained in:
Martin Diehl
parent
d94236b2d6
commit
5a51082977
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@ -63,7 +63,7 @@ program mpie_spectral
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real(pReal), dimension(3,3) :: pstress, defgradmacro, pstress_av, defgrad_av, temp33_Real
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real(pReal), dimension(3,3,3,3) :: dPdF, c0, s0
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real(pReal), dimension(6) :: cstress ! cauchy stress in Mandel notation (not needed)
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real(pReal), dimension(6,6) :: dsde
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real(pReal), dimension(6,6) :: dsde
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real(pReal), dimension(9,9) :: s099
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real(pReal), dimension(:,:,:), allocatable :: ddefgrad
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real(pReal), dimension(:,:,:,:,:), allocatable :: pstress_field, defgrad, defgradold
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@ -87,7 +87,7 @@ program mpie_spectral
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integer(pInt) i, j, k, l, m, n, p
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integer(pInt) loadcase, ielem, iter, calcmode
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real(pReal) temperature ! not used, but needed
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real(pReal) temperature ! not used, but needed for call to CPFEM_general
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!gmsh output
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character(len=1024) :: nriter
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@ -106,8 +106,9 @@ program mpie_spectral
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resolution = 1_pInt; meshdimension = 0.0_pReal
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xi = 0.0_pReal
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error = 1.0e-5_pReal
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c0 = 0.0_pReal
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error = 1.0e-4_pReal
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itmax = 100_pInt
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temperature = 300.0_pReal
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@ -272,16 +273,21 @@ program mpie_spectral
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wgt = 1_pReal/real(prodnn, pReal)
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defgradmacro = math_I3
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! Initialization of CPFEM_general (= constitutive law) and of deformation gradient field
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! Initialization of CPFEM_general (= constitutive law) and of deformation gradient field, calculating compliance
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ielem = 0_pInt
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do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
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defgradold(i,j,k,:,:) = math_I3 !no deformation at the beginning
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defgrad(i,j,k,:,:) = math_I3
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ielem = ielem +1
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call CPFEM_general(2,math_I3,math_I3,temperature,0.0_pReal,ielem,1_pInt,cstress,dsde,pstress,dPdF)
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c0 = c0 + dPdF
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enddo; enddo; enddo
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!calculation of xinormdyad (needed to calculate gamma_hat) and xi (waves, needed for proof of equilibrium)
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call math_invert(9, math_plain3333to99(c0),s099,i, errmatinv)
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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)
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s0 = math_plain99to3333(s099) * real(prodnn, pReal)
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!calculation of xinormdyad (to calculate gamma_hat) and xi (waves, for proof of equilibrium)
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do k = 1, resolution(3)
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k_s(3) = k-1
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if(k > resolution(3)/2+1) k_s(3) = k_s(3)-resolution(3)
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@ -313,23 +319,23 @@ program mpie_spectral
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!*************************************************************
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timeinc = bc_timeIncrement(loadcase)/bc_steps(loadcase)
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guessmode = 0.0_pReal ! change of load case, homogeneous guess for the first step
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guessmode = 0.0_pReal ! change of load case, homogeneous guess for the first step
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!*************************************************************
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! loop oper steps defined in input file for current loadcase
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do steps = 1, bc_steps(loadcase)
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!*************************************************************
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defgradmacro = defgradmacro& ! update macroscopic displacement gradient (BC of defgrad)
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+ math_mul33x33(bc_velocityGrad(:,:,loadcase), defgradmacro)*timeinc
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defgradmacro = defgradmacro& ! update macroscopic displacement gradient (defgrad BC)
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+ math_mul33x33(bc_velocityGrad(:,:,loadcase), defgradmacro)*timeinc !todo: correct calculation?
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do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
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temp33_Real = defgrad(i,j,k,:,:)
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defgrad(i,j,k,:,:) = defgrad(i,j,k,:,:)& ! old fluctuations as guess for new step, no fluctuations for new loadcase
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defgrad(i,j,k,:,:) = defgrad(i,j,k,:,:)& ! old fluctuations as guess for new step, no fluctuations for new loadcase
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+ guessmode * (defgrad(i,j,k,:,:) - defgradold(i,j,k,:,:))&
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+ (1.0_pReal-guessmode) * math_mul33x33(bc_velocityGrad(:,:,loadcase),defgradold(i,j,k,:,:))*timeinc
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defgradold(i,j,k,:,:) = temp33_Real
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enddo; enddo; enddo
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guessmode = 1_pReal ! keep guessing along former trajectory during same loadcase
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guessmode = 1_pReal ! keep guessing along former trajectory during same loadcase
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calcmode = 1_pInt
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iter = 0_pInt
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err_div= 2_pInt * error
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@ -364,45 +370,43 @@ program mpie_spectral
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calcmode = 2
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c0 = c0 + dPdF
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pstress_field(i,j,k,:,:) = pstress
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pstress_av = pstress_av + pstress ! average stress
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pstress_av = pstress_av + pstress ! average stress
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enddo; enddo; enddo
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pstress_av = pstress_av*wgt ! do the weighting of average stress
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! Update gamma_hat with new reference stiffness and calculate new average compliance (for stress BC)
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if(iter==1) then
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call math_invert(9, math_plain3333to99(c0),s099,i, errmatinv)
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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)
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s0 = math_plain99to3333(s099) * real(prodnn, pReal)
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c0 = c0 * wgt
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pstress_av = pstress_av*wgt ! do the weighting of average stress
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c0 = c0 * wgt
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! Update gamma_hat with new reference stiffness
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if((iter==1).and.(any(c0>0.1))) then ! for perfect plasticity inversion is not possible, criteria is just a first guess
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do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)/2+1
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temp33_Real = 0.0_pReal
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do l = 1,3; do m = 1,3; do n = 1,3; do p = 1,3
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temp33_Real(l,m) = temp33_Real(l,m) + c0(l,n,m,p) * xinormdyad(i,j,k, n,p)
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enddo; enddo; enddo; enddo
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temp33_Real = math_inv3x3(temp33_Real)
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temp33_Real = math_inv3x3(temp33_Real)
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do l=1,3; do m=1,3; do n=1,3; do p=1,3
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gamma_hat(i,j,k, l,m,n,p) = - temp33_Real(l,n) * xinormdyad(i,j,k, m,p)
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enddo; enddo; enddo; enddo
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enddo; enddo; enddo
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print *, 'Gamma hat updated'
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endif
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! Using the spectral method to calculate the change of deformation gradient, check divergence of stress field in fourier space
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print *, 'Update Deformation Gradient Field'
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do m = 1,3; do n = 1,3
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call dfftw_execute_dft_r2c(plan_fft(1,m,n), pstress_field(:,:,:,m,n),workfft(:,:,:,m,n))
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if(n == 3) sigma0 = max(sigma0, sum(abs(real(workfft(1,1,1,m,:))))) ! L infinity Norm of stress tensor
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if(n==3) sigma0 = max(sigma0, sum(abs(workfft(1,1,1,m,:)))) ! L infinity Norm of stress tensor
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enddo; enddo
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do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)/2+1
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err_div = err_div + (maxval(abs(math_mul33x3_complex(workfft(i,j,k,:,:),xi(i,j,k,:))))) ! L infinity Norm of div(stress)
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temp33_Complex = .0_pReal
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err_div = err_div + (maxval(abs(math_mul33x3_complex(workfft(i,j,k,:,:),xi(i,j,k,:))))) ! L infinity Norm of div(stress)
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temp33_Complex = 0.0_pReal
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do m = 1,3; do n = 1,3
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temp33_Complex(m,n) = sum(gamma_hat(i,j,k,m,n,:,:) * workfft(i,j,k,:,:))
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enddo; enddo
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workfft(i,j,k,:,:) = temp33_Complex(:,:)
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enddo; enddo; enddo
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err_div = err_div/(real(prodnn/resolution(1)*(resolution(1)/2+1)))/sigma0 !weighting of error
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err_div = err_div/real((prodnn/resolution(1)*(resolution(1)/2+1)), pReal)/sigma0 !weighting of error
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do m = 1,3; do n = 1,3
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call dfftw_execute_dft_c2r(plan_fft(2,m,n), workfft(:,:,:,m,n),ddefgrad(:,:,:))
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@ -411,7 +415,7 @@ program mpie_spectral
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enddo; enddo
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do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
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defgrad_av= defgrad_av + defgrad(i,j,k,:,:)
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defgrad_av = defgrad_av + defgrad(i,j,k,:,:)
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enddo; enddo; enddo
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defgrad_av = defgrad_av * wgt ! weight by number of FP
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@ -424,9 +428,10 @@ program mpie_spectral
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endif
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enddo; enddo
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print '(2(a,E8.2))', ' Error = ',err_div,' Criteria = ', error
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print '(A)', '---------------------------------------'
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print '(2(a,E8.2))', ' Error = ',err_div,' Tol. = ', error
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print '(A)', '-----------------------------------'
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if(iter==1) err_div=2*error ! at least two iterations to fulfill BC
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enddo ! end looping when convergency is achieved
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write(539,'(E12.6,a,E12.6)'),defgrad_av(3,3)-1,' ',pstress_av(3,3)
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@ -469,8 +474,8 @@ program mpie_spectral
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ielem = 0_pInt
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do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
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ielem = ielem + 1
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write(589, '(I10, 3(tr2, E12.6))'), ielem, displacement(i,j,k,:)
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write(588, '(I10, 3(tr2, E12.6))'), ielem, displacement(i,j,k,:)
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write(589, '(I10, 3(tr2, E14.8))'), ielem, displacement(i,j,k,:)
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write(588, '(I10, 3(tr2, E14.8))'), ielem, displacement(i,j,k,:)
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enddo; enddo; enddo
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write(589, '(2(A, /), I10)'), '$EndNodes', '$Elements', prodnn
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@ -491,8 +496,8 @@ program mpie_spectral
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ielem = 0_pInt
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do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
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ielem = ielem + 1
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write(589, '(i10, 9(tr2, E12.6))'), ielem, pstress_field(i,j,k,:,:)
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write(588, '(i10, 9(tr2, E12.6))'), ielem, defgrad(i,j,k,:,:) - math_I3
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write(589, '(i10, 9(tr2, E14.8))'), ielem, pstress_field(i,j,k,:,:)
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write(588, '(i10, 9(tr2, E14.8))'), ielem, defgrad(i,j,k,:,:) - math_I3
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enddo; enddo; enddo
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write(589, *), '$EndNodeData'
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