fixed bug in mpie_spectral.f90 concerning spectral method (now deltaF hat get the right value)
added mpie_spectral2.f90, a version that should get the new algorithm proposed in 2010. until now, it is the same as mpie_spectral.f90 (large strain formulation by suquet et al) but with c2c, c2c FFT
This commit is contained in:
Martin Diehl
parent
e49de75fe3
commit
3837dad51e
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@ -29,7 +29,7 @@ program mpie_spectral
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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 numerics, only: relevantStrain, rTol_crystalliteStress, rTol_defgradAvg
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use numerics, only: relevantStrain, rTol_crystalliteStress
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implicit none
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include 'fftw3.f' !header file for fftw3 (declaring variables). Library file is also needed
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@ -62,28 +62,27 @@ program mpie_spectral
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! stress etc.
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real(pReal), dimension(3,3) :: ones, zeroes, temp33_Real, damper,&
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pstress, cstress_av, defgrad_av,&
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pstress, pstress_av, cstress_av, defgrad_av,&
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defgradAim, defgradAimOld, defgradAimCorr, defgradAimCorrPrev,&
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mask_stress, mask_defgrad
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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
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real(pReal), dimension(6,6) :: dsde, c066, s066
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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, cstress_field
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! variables storing information for spectral method
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complex(pReal), dimension(:,:,:,:,:), allocatable :: workfft
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complex(pReal), dimension(3,3) :: temp33_Complex
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real(pReal), dimension(3,3) :: xinormdyad
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real(pReal), dimension(:,:,:,:,:,:,:), allocatable :: gamma_hat
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real(pReal), dimension(:,:,:,:,:), allocatable :: xinormdyad
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real(pReal), dimension(:,:,:,:), allocatable :: xi
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integer(pInt), dimension(3) :: k_s
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integer*8, dimension(2,3,3) :: plan_fft
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! convergence etc.
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real(pReal) err_div, err_stress, err_defgrad
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real(pReal) err_div_tol, err_stress_tol, err_defgrad_tol, sigma0
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real(pReal) err_div_tol, err_stress_tol, err_stress_tolrel, sigma0
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integer(pInt) itmax, ierr
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logical errmatinv
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@ -113,14 +112,10 @@ program mpie_spectral
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N_n = 0_pInt
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resolution = 1_pInt; meshdimension = 0.0_pReal
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xi = 0.0_pReal
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c0 = 0.0_pReal
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err_div_tol = 1.0e-4
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err_stress_tol = 1.0e6
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err_defgrad_tol = 1.0e-12
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itmax = 50_pInt
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itmax = 250_pInt
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err_stress_tolrel=0.01
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temperature = 300.0_pReal
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@ -255,14 +250,13 @@ program mpie_spectral
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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', meshdimension
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print '(a,/,i4,i4,i4)','resolution a b c', resolution
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print '(a,/,f6.1,f6.1,f6.1)','dimension x y z', meshdimension
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print *,'homogenization',homog
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print *, ''
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allocate (workfft(resolution(1)/2+1,resolution(2),resolution(3),3,3)); workfft = 0.0_pReal
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allocate (gamma_hat(resolution(1)/2+1,resolution(2),resolution(3),3,3,3,3)); gamma_hat = 0.0_pReal
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allocate (xinormdyad(resolution(1)/2+1,resolution(2),resolution(3),3,3)); xinormdyad = 0.0_pReal
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allocate (xi(resolution(1)/2+1,resolution(2),resolution(3),3)); xi = 0.0_pReal
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allocate (pstress_field(resolution(1),resolution(2),resolution(3),3,3)); pstress_field = 0.0_pReal
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allocate (cstress_field(resolution(1),resolution(2),resolution(3),3,3)); cstress_field = 0.0_pReal
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@ -288,12 +282,18 @@ program mpie_spectral
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defgrad_av = math_I3
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! Initialization of CPFEM_general (= constitutive law) and of deformation gradient field
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ielem = 0_pInt
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c066 = 0.0_pReal
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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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c066 = c066 + dsde
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enddo; enddo; enddo
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c066 = c066 * wgt
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c0 = math_mandel66to3333(c066)
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call math_invert(6, c066, s066,i, errmatinv)
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s0 = math_mandel66to3333(s066)
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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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@ -308,13 +308,20 @@ program mpie_spectral
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if(resolution(3) > 1) xi(i,j,k,3) = real(k_s(3), pReal)/meshdimension(3)
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xi(i,j,k,2) = real(k_s(2), pReal)/meshdimension(2)
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xi(i,j,k,1) = real(k_s(1), pReal)/meshdimension(1)
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if (any(xi(i,j,k,:) /= 0.0_pReal)) then
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do l = 1,3; do m = 1,3
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xinormdyad(i,j,k, l,m) = xi(i,j,k, l)*xi(i,j,k, m)/sum(xi(i,j,k,:)**2)
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xinormdyad(l,m) = xi(i,j,k, l)*xi(i,j,k, m)/sum(xi(i,j,k,:)**2)
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enddo; enddo
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else
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xinormdyad = 0.0_pReal
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endif
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temp33_Real = math_mul3333xx33(c0, xinormdyad)
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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(m,p)
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! gamma_hat(i,j,k, l,m,n,p) = - 0.5_pReal * temp33_Real(l,n) * xinormdyad(m,p)& ! symmetrization????????
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! - 0.5_pReal * temp33_Real(m,n) * xinormdyad(l,p)
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enddo; enddo; enddo; enddo
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enddo; enddo; enddo
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open(539,file='stress-strain.out')
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@ -330,7 +337,7 @@ program mpie_spectral
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mask_defgrad = merge(ones,zeroes,bc_mask(:,:,1,loadcase))
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mask_stress = merge(ones,zeroes,bc_mask(:,:,2,loadcase))
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damper = ones/10
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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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@ -350,45 +357,25 @@ program mpie_spectral
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enddo; enddo; enddo
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guessmode = 1.0_pReal ! keep guessing along former trajectory during same loadcase
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calcmode = 1_pInt ! start calculation of BC fullfillment
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calcmode = 0_pInt ! start calculation of BC fullfillment
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CPFEM_mode = 1_pInt ! winding forward
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iter = 0_pInt
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err_stress= 2_pReal * err_stress_tol ! go into loop
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err_div= 2_pReal * err_div_tol ! go into loop
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defgradAimCorr = 0.0_pReal ! reset damping calculation
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damper = ones/10
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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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do j = 1, resolution(2)
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k_s(2) = j-1
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if(j > resolution(2)/2+1) k_s(2) = k_s(2)-resolution(2)
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do i = 1, resolution(1)/2+1
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k_s(1) = i-1
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xi(i,j,k,3) = 0.0_pReal
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if(resolution(3) > 1) xi(i,j,k,3) = real(k_s(3), pReal)/(meshdimension(3)*defgrad_av(3,3))
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xi(i,j,k,2) = real(k_s(2), pReal)/(meshdimension(2)*defgrad_av(2,2))
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xi(i,j,k,1) = real(k_s(1), pReal)/(meshdimension(1)*defgrad_av(1,1))
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damper = damper * 0.9_pReal
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if (any(xi(i,j,k,:) /= 0.0_pReal)) then
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do l = 1,3; do m = 1,3
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xinormdyad(i,j,k, l,m) = xi(i,j,k, l)*xi(i,j,k, m)/sum(xi(i,j,k,:)**2)
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enddo; enddo
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endif
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enddo; enddo; enddo
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!*************************************************************
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! convergence loop
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do while( iter <= itmax .and. &
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(err_div > err_div_tol .or. &
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err_stress > err_stress_tol .or. &
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err_defgrad > err_defgrad_tol))
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err_stress > err_stress_tol))
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iter = iter + 1
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print '(A,I5.5,tr2,A,I5.5)', ' Step = ',steps,'Iteration = ',iter
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!*************************************************************
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! Calculate stress field for current deformation gradient using CPFEM_general
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! adjust defgrad to fulfill BCs
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select case (calcmode)
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case (0)
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print *, 'Update Stress Field (constitutive evaluation P(F))'
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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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@ -397,64 +384,81 @@ program mpie_spectral
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temperature,timeinc,ielem,1_pInt,&
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cstress,dsde, pstress, dPdF)
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enddo; enddo; enddo
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cstress_av = 0.0_pReal
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c0 = 0.0_pReal; c066 = 0.0_pReal
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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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call CPFEM_general(CPFEM_mode,& ! first element in first iteration retains CPFEM_mode 1, others get 2 (saves winding forward effort)
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call CPFEM_general(CPFEM_mode,& ! first element in first iteration retains CPFEM_mode 1,
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defgradold(i,j,k,:,:), defgrad(i,j,k,:,:),& ! others get 2 (saves winding forward effort)
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temperature,timeinc,ielem,1_pInt,&
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cstress,dsde, pstress, dPdF)
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CPFEM_mode = 2_pInt
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pstress_field(i,j,k,:,:) = pstress
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cstress_field(i,j,k,:,:) = math_mandel6to33(cstress)
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enddo; enddo; enddo
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do m = 1,3; do n = 1,3
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pstress_av(m,n) = sum(pstress_field(:,:,:,m,n)) * wgt
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cstress_av(m,n) = sum(cstress_field(:,:,:,m,n)) * wgt
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defgrad_av(m,n) = sum(defgrad(:,:,:,m,n)) * wgt
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enddo; enddo
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err_stress = maxval(abs(mask_stress * (pstress_av - bc_stress(:,:,loadcase))))
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err_stress_tol = maxval(abs(pstress_av))*err_stress_tolrel
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print*, 'Correcting deformation gradient to fullfill BCs'
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defgradAimCorrPrev = defgradAimCorr
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defgradAimCorr = -mask_stress * math_mul3333xx33(s0, (mask_stress*(pstress_av - bc_stress(:,:,loadcase))))
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do m=1,3; do n =1,3 ! calculate damper (correction is far to strong)
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if ( sign(1.0_pReal,defgradAimCorr(m,n))/=sign(1.0_pReal,defgradAimCorrPrev(m,n))) then
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damper(m,n) = max(0.01_pReal,damper(m,n)*0.8)
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else
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damper(m,n) = min(1.0_pReal,damper(m,n) *1.2)
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endif
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enddo; enddo
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defgradAimCorr = mask_Stress*(damper * defgradAimCorr)
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defgradAim = defgradAim + defgradAimCorr
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do m = 1,3; do n = 1,3
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defgrad(:,:,:,m,n) = defgrad(:,:,:,m,n) + (defgradAim(m,n) - defgrad_av(m,n)) !anticipated target minus current state
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enddo; enddo
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err_div = 2 * err_div_tol
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err_defgrad = maxval(abs(mask_defgrad * (defgrad_av - defgradAim)))
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print '(a,/,3(3(f12.7,x)/))', ' Deformation Gradient: ',defgrad_av(1:3,:)
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print '(a,/,3(3(f10.4,x)/))', ' Cauchy Stress [MPa]: ',cstress_av(1:3,:)/1.e6
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print '(a,E8.2)', ' error defgrad ',err_defgrad
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print '(2(a,E8.2))', ' error stress ',err_stress,' Tol. = ', err_stress_tol*0.8
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if(err_stress < err_stress_tol*0.8) then
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calcmode = 1
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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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case (1)
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print *, 'Update Stress Field (constitutive evaluation P(F))'
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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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call CPFEM_general(3, defgradold(i,j,k,:,:), defgrad(i,j,k,:,:),&
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temperature,timeinc,ielem,1_pInt,&
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cstress,dsde, pstress, dPdF)
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enddo; enddo; enddo
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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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call CPFEM_general(2,&
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defgradold(i,j,k,:,:), defgrad(i,j,k,:,:),&
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temperature,timeinc,ielem,1_pInt,&
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cstress,dsde, pstress, dPdF)
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CPFEM_mode = 2
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c0 = c0 + dPdF
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c066 = c066 + dsde
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pstress_field(i,j,k,:,:) = pstress
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cstress_field(i,j,k,:,:) = math_mandel6to33(cstress)
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cstress_av = cstress_av + math_mandel6to33(cstress) ! average stress
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enddo; enddo; enddo
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cstress_av = cstress_av*wgt ! do the weighting of average stress
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err_stress = maxval(abs(mask_stress * (cstress_av - bc_stress(:,:,loadcase))))
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err_stress_tol = maxval(abs(cstress_av))/100.0_pReal !accecpt one % of error
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print '(2(a,E8.2))', ' error stress ',err_stress,' Tol. = ', err_stress_tol
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! Update gamma_hat with new reference stiffness, calculate new compliance
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if(iter == 1) then
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c0 = c0 * wgt
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c066 = c066 * wgt
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call math_invert(9, math_plain3333to99(c0), s099, i, errmatinv)
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errmatinv = .true.
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if(errmatinv) then
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call math_invert(6, c066, s066,i, errmatinv)
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if(errmatinv) then
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print *, 'Compliance not updated'
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else
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s0 = math_mandel66to3333(s066)
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endif
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else
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s0 = math_plain99to3333(s099)
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endif
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if(errmatinv == .false.) then
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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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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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endif
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select case (calcmode)
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case (0) ! Using the spectral method to calculate the change of deformation gradient, check divergence of stress field in fourier space
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print *, 'Calculating equilibrium using spectral method'
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err_div = 0.0_pReal; sigma0 = 0.0_pReal
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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), cstress_field(:,:,:,m,n),workfft(:,:,:,m,n))
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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(workfft(1,1,1,m,:)))) ! L infinity Norm of stress tensor
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enddo; enddo
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@ -466,61 +470,29 @@ errmatinv = .true.
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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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workfft(1,1,1,:,:) = defgrad_av - math_I3
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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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ddefgrad = ddefgrad * wgt
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defgrad(:,:,:,m,n) = defgrad(:,:,:,m,n) + ddefgrad
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enddo; enddo
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print '(2(a,E8.2))', ' error divergence ',err_div,' Tol. = ', err_div_tol
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if(err_div < err_div_tol) then ! change to calculation of BCs, reset damper etc.
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calcmode = 1
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defgradAimCorr = 0.0_pReal
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damper = ones/10
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endif
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case (1) ! adjust defgrad to fulfill BCs s
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print*, 'Correcting deformation gradient to fullfill BCs'
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defgrad_av = 0.0_pReal
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do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
|
||||
defgrad_av = defgrad_av + defgrad(i,j,k,:,:)
|
||||
enddo; enddo; enddo
|
||||
defgrad_av = defgrad_av * wgt ! weight by number of FP
|
||||
|
||||
defgradAimCorrPrev = defgradAimCorr
|
||||
defgradAimCorr = -mask_stress * math_mul3333xx33(s0, (mask_stress*(cstress_av - bc_stress(:,:,loadcase))))
|
||||
|
||||
do m=1,3; do n =1,3 ! calculate damper (correction is far to strong)
|
||||
if ( sign(1.0_pReal,defgradAimCorr(m,n))/=sign(1.0_pReal,defgradAimCorrPrev(m,n))) then
|
||||
damper(m,n) = max(0.0_pReal,damper(m,n)*0.8)
|
||||
else
|
||||
damper(m,n) = min(1.0_pReal,damper(m,n) *1.2)
|
||||
endif
|
||||
enddo; enddo
|
||||
defgradAimCorr = mask_Stress*(damper * defgradAimCorr)
|
||||
defgradAim = defgradAim + defgradAimCorr
|
||||
|
||||
do m = 1,3; do n = 1,3
|
||||
defgrad(:,:,:,m,n) = defgrad(:,:,:,m,n) + ddefgrad * wgt
|
||||
pstress_av(m,n) = sum(pstress_field(:,:,:,m,n))*wgt
|
||||
cstress_av(m,n) = sum(cstress_field(:,:,:,m,n))*wgt
|
||||
defgrad_av(m,n) = sum(defgrad(:,:,:,m,n))*wgt
|
||||
defgrad(:,:,:,m,n) = defgrad(:,:,:,m,n) + (defgradAim(m,n) - defgrad_av(m,n)) !anticipated target minus current state
|
||||
enddo; enddo
|
||||
|
||||
err_defgrad = maxval(abs(mask_defgrad * (defgrad_av - defgradAim)))
|
||||
print '(a,/,3(3(f12.7,x)/))', ' defgrad Aim: ',defgradAim(1:3,:)
|
||||
print '(a,/,3(3(f12.7,x)/))', ' damper: ',damper(1:3,:)
|
||||
print '(a,/,3(3(f10.4,x)/))', ' Cauchy Stress [MPa]: ',cstress_av(1:3,:)/1.e6
|
||||
print '(2(a,E8.2))', ' error defgrad ',err_defgrad,' Tol. = ',err_defgrad_tol
|
||||
print '(2(a,E8.2))', ' error stress ',err_stress,' Tol. = ', err_stress_tol*0.8
|
||||
if(err_stress < err_stress_tol*0.8) then
|
||||
err_stress = maxval(abs(mask_stress * (pstress_av - bc_stress(:,:,loadcase))))
|
||||
err_stress_tol = maxval(abs(pstress_av))*err_stress_tolrel !accecpt relativ error specified
|
||||
|
||||
print '(2(a,E8.2))', ' error divergence ',err_div,' Tol. = ', err_div_tol
|
||||
print '(2(a,E8.2))', ' error stress ',err_stress,' Tol. = ', err_stress_tol
|
||||
if(err_stress > err_stress_tol .and. err_div < err_div_tol) then ! change to calculation of BCs, reset damper etc.
|
||||
calcmode = 0
|
||||
err_div = 2* err_div_tol
|
||||
defgradAimCorr = 0.0_pReal
|
||||
damper = damper * 0.9_pReal
|
||||
endif
|
||||
|
||||
end select
|
||||
|
||||
enddo ! end looping when convergency is achieved
|
||||
|
||||
write(539,'(E12.6,a,E12.6)'),defgrad_av(3,3)-1,' ', cstress_av(3,3)
|
||||
|
|
@ -530,22 +502,25 @@ errmatinv = .true.
|
|||
print '(A)', '************************************************************'
|
||||
|
||||
! Postprocessing (gsmh output)
|
||||
if(mod(steps-1,10)==0) then
|
||||
|
||||
temp33_Real(1,:) = 0.0_pReal; temp33_Real(1,3) = -(real(resolution(3))/meshdimension(3)) ! start just below origin
|
||||
|
||||
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
|
||||
if((j==1).and.(i==1)) then
|
||||
temp33_Real(1,:) = temp33_Real(1,:) + math_mul33x3(defgrad(i,j,k,:,:),(/0.0_pReal,0.0_pReal,(real(resolution(3))/meshdimension(3))/))
|
||||
temp33_Real(1,:) = temp33_Real(1,:) + math_mul33x3(defgrad(i,j,k,:,:),&
|
||||
(/0.0_pReal,0.0_pReal,(real(resolution(3))/meshdimension(3))/))
|
||||
temp33_Real(2,:) = temp33_Real(1,:)
|
||||
temp33_Real(3,:) = temp33_Real(1,:)
|
||||
displacement(i,j,k,:) = temp33_Real(1,:)
|
||||
else
|
||||
if(i==1) then
|
||||
temp33_Real(2,:) = temp33_Real(2,:) + math_mul33x3(defgrad(i,j,k,:,:),(/0.0_pReal,(real(resolution(2))/meshdimension(2)),0.0_pReal/))
|
||||
temp33_Real(2,:) = temp33_Real(2,:) + math_mul33x3(defgrad(i,j,k,:,:),&
|
||||
(/0.0_pReal,(real(resolution(2))/meshdimension(2)),0.0_pReal/))
|
||||
temp33_Real(3,:) = temp33_Real(2,:)
|
||||
displacement(i,j,k,:) = temp33_Real(2,:)
|
||||
else
|
||||
temp33_Real(3,:) = temp33_Real(3,:) + math_mul33x3(defgrad(i,j,k,:,:),(/(real(resolution(1))/meshdimension(1)),0.0_pReal,0.0_pReal/))
|
||||
temp33_Real(3,:) = temp33_Real(3,:) + math_mul33x3(defgrad(i,j,k,:,:),&
|
||||
(/(real(resolution(1))/meshdimension(1)),0.0_pReal,0.0_pReal/))
|
||||
displacement(i,j,k,:) = temp33_Real(3,:)
|
||||
endif
|
||||
endif
|
||||
|
|
@ -560,8 +535,10 @@ if(mod(steps-1,10)==0) then
|
|||
ielem = 0_pInt
|
||||
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
|
||||
ielem = ielem + 1
|
||||
write(589, '(I10, 3(tr2, E12.6))'), ielem, displacement(i,j,k,:)
|
||||
write(589, '(I10, 3(tr2, E12.6))'), ielem, displacement(i,j,k,:) !for deformed configuration
|
||||
write(588, '(I10, 3(tr2, E12.6))'), ielem, displacement(i,j,k,:)
|
||||
! write(589, '(4(I10,tr2))'), ielem, i-1,j-1,k-1 !for undeformed configuration
|
||||
! write(588, '(4(I10,tr2))'), ielem, i-1,j-1,k-1
|
||||
enddo; enddo; enddo
|
||||
|
||||
write(589, '(2(A, /), I10)'), '$EndNodes', '$Elements', prodnn
|
||||
|
|
@ -589,7 +566,6 @@ if(mod(steps-1,10)==0) then
|
|||
write(589, *), '$EndNodeData'
|
||||
write(588, *), '$EndNodeData'
|
||||
close(589); close(588)
|
||||
endif
|
||||
enddo ! end looping over steps in current loadcase
|
||||
enddo ! end looping over loadcases
|
||||
close(539)
|
||||
|
|
|
|||
|
|
@ -0,0 +1,592 @@
|
|||
!* $Id: mpie_spectral.f90 665 2010-10-13 16:04:44Z MPIE\m.diehl $
|
||||
!********************************************************************
|
||||
! Material subroutine for BVP solution using spectral method
|
||||
!
|
||||
! written by P. Eisenlohr,
|
||||
! F. Roters,
|
||||
! L. Hantcherli,
|
||||
! W.A. Counts
|
||||
! D.D. Tjahjanto
|
||||
! C. Kords
|
||||
! M. Diehl
|
||||
! R. Lebensohn
|
||||
!
|
||||
! MPI fuer Eisenforschung, Duesseldorf
|
||||
!
|
||||
!********************************************************************
|
||||
! Usage:
|
||||
! - start program with mpie_spectral PathToMeshFile/NameOfMesh.mesh
|
||||
! PathToLoadFile/NameOfLoadFile.load
|
||||
! - PathToLoadFile will be the working directory
|
||||
! - make sure the file "material.config" exists in the working
|
||||
! directory
|
||||
!********************************************************************
|
||||
program mpie_spectral
|
||||
!********************************************************************
|
||||
|
||||
use mpie_interface
|
||||
use prec, only: pInt, pReal
|
||||
use IO
|
||||
use math
|
||||
use CPFEM, only: CPFEM_general
|
||||
use numerics, only: relevantStrain, rTol_crystalliteStress
|
||||
|
||||
implicit none
|
||||
include 'fftw3.f' !header file for fftw3 (declaring variables). Library file is also needed
|
||||
|
||||
! variables to read from loadcase and mesh file
|
||||
real(pReal), dimension(9) :: valuevector ! stores information temporarily from loadcase file
|
||||
integer(pInt), parameter :: maxNchunksInput = 24 ! 4 identifiers, 18 values for the matrices and 2 scalars
|
||||
integer(pInt), dimension (1+maxNchunksInput*2) :: posInput
|
||||
integer(pInt), parameter :: maxNchunksMesh = 7 ! 4 identifiers, 3 values
|
||||
integer(pInt), dimension (1+2*maxNchunksMesh) :: posMesh
|
||||
integer(pInt) unit, N_l, N_s, N_t, N_n ! numbers of identifiers
|
||||
character(len=1024) path, line
|
||||
logical gotResolution,gotDimension,gotHomogenization
|
||||
logical, dimension(9) :: bc_maskvector
|
||||
|
||||
! variables storing information from loadcase file
|
||||
real(pReal) timeinc
|
||||
real(pReal), dimension (:,:,:), allocatable :: bc_velocityGrad, &
|
||||
bc_stress ! velocity gradient and stress BC
|
||||
real(pReal), dimension(:), allocatable :: bc_timeIncrement ! length of increment
|
||||
integer(pInt) N_Loadcases, steps
|
||||
integer(pInt), dimension(:), allocatable :: bc_steps ! number of steps
|
||||
logical, dimension(:,:,:,:), allocatable :: bc_mask ! mask of boundary conditions
|
||||
|
||||
! variables storing information from mesh file
|
||||
real(pReal) wgt
|
||||
real(pReal), dimension(3) :: meshdimension
|
||||
integer(pInt) homog, prodnn
|
||||
integer(pInt), dimension(3) :: resolution
|
||||
|
||||
! stress etc.
|
||||
real(pReal), dimension(3,3) :: ones, zeroes, temp33_Real, damper,&
|
||||
pstress, pstress_av, cstress_av, defgrad_av,&
|
||||
defgradAim, defgradAimOld, defgradAimCorr, defgradAimCorrPrev,&
|
||||
mask_stress, mask_defgrad
|
||||
real(pReal), dimension(3,3,3,3) :: dPdF, c0, s0
|
||||
real(pReal), dimension(6) :: cstress ! cauchy stress in Mandel notation
|
||||
real(pReal), dimension(6,6) :: dsde, c066, s066
|
||||
real(pReal), dimension(:,:,:,:,:), allocatable :: defgrad, defgradold, cstress_field
|
||||
complex(pReal), dimension(:,:,:,:,:), allocatable :: pstress_field
|
||||
complex(pReal), dimension(:,:,:), allocatable :: ddefgrad
|
||||
|
||||
! variables storing information for spectral method
|
||||
complex(pReal), dimension(:,:,:,:,:), allocatable :: workfft
|
||||
complex(pReal), dimension(3,3) :: temp33_Complex
|
||||
real(pReal), dimension(3,3) :: xinormdyad
|
||||
real(pReal), dimension(:,:,:,:,:,:,:), allocatable :: gamma_hat
|
||||
real(pReal), dimension(:,:,:,:), allocatable :: xi
|
||||
integer(pInt), dimension(3) :: k_s
|
||||
integer*8, dimension(2,3,3) :: plan_fft
|
||||
|
||||
! convergence etc.
|
||||
real(pReal) err_div, err_stress, err_defgrad
|
||||
real(pReal) err_div_tol, err_stress_tol, err_stress_tolrel, sigma0
|
||||
integer(pInt) itmax, ierr
|
||||
logical errmatinv
|
||||
|
||||
! loop variables etc.
|
||||
real(pReal) guessmode ! flip-flop to guess defgrad fluctuation field evolution
|
||||
integer(pInt) i, j, k, l, m, n, p
|
||||
integer(pInt) loadcase, ielem, iter, calcmode, CPFEM_mode
|
||||
|
||||
real(pReal) temperature ! not used, but needed for call to CPFEM_general
|
||||
|
||||
!gmsh output
|
||||
character(len=1024) :: nriter
|
||||
character(len=1024) :: nrstep
|
||||
real(pReal), dimension(:,:,:,:), allocatable :: displacement
|
||||
!gmsh output
|
||||
|
||||
!Initializing
|
||||
bc_maskvector = ''
|
||||
unit = 234_pInt
|
||||
|
||||
ones = 1.0_pReal
|
||||
zeroes = 0.0_pReal
|
||||
|
||||
N_l = 0_pInt
|
||||
N_s = 0_pInt
|
||||
N_t = 0_pInt
|
||||
N_n = 0_pInt
|
||||
|
||||
resolution = 1_pInt; meshdimension = 0.0_pReal
|
||||
|
||||
err_div_tol = 1.0e-4
|
||||
itmax = 250_pInt
|
||||
err_stress_tolrel=0.01
|
||||
|
||||
temperature = 300.0_pReal
|
||||
|
||||
gotResolution =.false.; gotDimension =.false.; gotHomogenization = .false.
|
||||
|
||||
if (IargC() /= 2) call IO_error(102) ! check for correct number of given arguments
|
||||
|
||||
! Reading the loadcase file and assign variables
|
||||
path = getLoadcaseName()
|
||||
print*,'Loadcase: ',trim(path)
|
||||
print*,'Workingdir: ',trim(getSolverWorkingDirectoryName())
|
||||
|
||||
if (.not. IO_open_file(unit,path)) call IO_error(45,ext_msg = path)
|
||||
|
||||
rewind(unit)
|
||||
do
|
||||
read(unit,'(a1024)',END = 101) line
|
||||
if (IO_isBlank(line)) cycle ! skip empty lines
|
||||
posInput = IO_stringPos(line,maxNchunksInput)
|
||||
do i = 1, maxNchunksInput, 1
|
||||
select case (IO_lc(IO_stringValue(line,posInput,i)))
|
||||
case('l','velocitygrad')
|
||||
N_l = N_l+1
|
||||
case('s','stress')
|
||||
N_s = N_s+1
|
||||
case('t','time','delta')
|
||||
N_t = N_t+1
|
||||
case('n','incs','increments','steps')
|
||||
N_n = N_n+1
|
||||
end select
|
||||
enddo ! count all identifiers to allocate memory and do sanity check
|
||||
if ((N_l /= N_s).or.(N_s /= N_t).or.(N_t /= N_n)) & ! sanity check
|
||||
call IO_error(46,ext_msg = path) !error message for incomplete input file
|
||||
|
||||
enddo
|
||||
|
||||
! allocate memory depending on lines in input file
|
||||
101 N_Loadcases = N_l
|
||||
|
||||
allocate (bc_velocityGrad(3,3,N_Loadcases)); bc_velocityGrad = 0.0_pReal
|
||||
allocate (bc_stress(3,3,N_Loadcases)); bc_stress = 0.0_pReal
|
||||
allocate (bc_mask(3,3,2,N_Loadcases)); bc_mask = .false.
|
||||
allocate (bc_timeIncrement(N_Loadcases)); bc_timeIncrement = 0.0_pReal
|
||||
allocate (bc_steps(N_Loadcases)); bc_steps = 0_pInt
|
||||
|
||||
rewind(unit)
|
||||
i = 0_pInt
|
||||
do
|
||||
read(unit,'(a1024)',END = 200) line
|
||||
if (IO_isBlank(line)) cycle ! skip empty lines
|
||||
i = i + 1
|
||||
posInput = IO_stringPos(line,maxNchunksInput)
|
||||
do j = 1,maxNchunksInput,2
|
||||
select case (IO_lc(IO_stringValue(line,posInput,j)))
|
||||
case('l','velocitygrad')
|
||||
valuevector = 0.0_pReal
|
||||
forall (k = 1:9) bc_maskvector(k) = IO_stringValue(line,posInput,j+k) /= '#'
|
||||
do k = 1,9
|
||||
if (bc_maskvector(k)) valuevector(k) = IO_floatValue(line,posInput,j+k) ! assign values for the velocity gradient matrix
|
||||
enddo
|
||||
bc_mask(:,:,1,i) = reshape(bc_maskvector,(/3,3/))
|
||||
bc_velocityGrad(:,:,i) = reshape(valuevector,(/3,3/))
|
||||
case('s','stress')
|
||||
valuevector = 0.0_pReal
|
||||
forall (k = 1:9) bc_maskvector(k) = IO_stringValue(line,posInput,j+k) /= '#'
|
||||
do k = 1,9
|
||||
if (bc_maskvector(k)) valuevector(k) = IO_floatValue(line,posInput,j+k) ! assign values for the bc_stress matrix
|
||||
enddo
|
||||
bc_mask(:,:,2,i) = reshape(bc_maskvector,(/3,3/))
|
||||
bc_stress(:,:,i) = reshape(valuevector,(/3,3/))
|
||||
case('t','time','delta') ! increment time
|
||||
bc_timeIncrement(i) = IO_floatValue(line,posInput,j+1)
|
||||
case('n','incs','increments','steps') ! bc_steps
|
||||
bc_steps(i) = IO_intValue(line,posInput,j+1)
|
||||
end select
|
||||
enddo; enddo
|
||||
|
||||
200 close(unit)
|
||||
|
||||
do i = 1, N_Loadcases
|
||||
if (any(bc_mask(:,:,1,i) == bc_mask(:,:,2,i))) call IO_error(47,i) ! bc_mask consistency
|
||||
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(l,x)/))','bc_mask for velocitygrad',bc_mask(:,:,1,i)
|
||||
print '(a,/,3(3(l,x)/))','bc_mask for stress',bc_mask(:,:,2,i)
|
||||
print *,'time',bc_timeIncrement(i)
|
||||
print *,'incs',bc_steps(i)
|
||||
print *, ''
|
||||
enddo
|
||||
|
||||
!read header of mesh file to get the information needed before the complete mesh file is intepretated by mesh.f90
|
||||
path = getSolverJobName()
|
||||
print*,'JobName: ',trim(path)
|
||||
if (.not. IO_open_file(unit,trim(path)//InputFileExtension)) call IO_error(101,ext_msg = path)
|
||||
|
||||
rewind(unit)
|
||||
do
|
||||
read(unit,'(a1024)',END = 100) line
|
||||
if (IO_isBlank(line)) cycle ! skip empty lines
|
||||
posMesh = IO_stringPos(line,maxNchunksMesh)
|
||||
|
||||
select case ( IO_lc(IO_StringValue(line,posMesh,1)) )
|
||||
case ('dimension')
|
||||
gotDimension = .true.
|
||||
do i = 2,6,2
|
||||
select case (IO_lc(IO_stringValue(line,posMesh,i)))
|
||||
case('x')
|
||||
meshdimension(1) = IO_floatValue(line,posMesh,i+1)
|
||||
case('y')
|
||||
meshdimension(2) = IO_floatValue(line,posMesh,i+1)
|
||||
case('z')
|
||||
meshdimension(3) = IO_floatValue(line,posMesh,i+1)
|
||||
end select
|
||||
enddo
|
||||
case ('homogenization')
|
||||
gotHomogenization = .true.
|
||||
homog = IO_intValue(line,posMesh,2)
|
||||
case ('resolution')
|
||||
gotResolution = .true.
|
||||
do i = 2,6,2
|
||||
select case (IO_lc(IO_stringValue(line,posMesh,i)))
|
||||
case('a')
|
||||
resolution(1) = IO_intValue(line,posMesh,i+1)
|
||||
case('b')
|
||||
resolution(2) = IO_intValue(line,posMesh,i+1)
|
||||
case('c')
|
||||
resolution(3) = IO_intValue(line,posMesh,i+1)
|
||||
end select
|
||||
enddo
|
||||
end select
|
||||
if (gotDimension .and. gotHomogenization .and. gotResolution) exit
|
||||
enddo
|
||||
100 close(unit)
|
||||
|
||||
print '(a,/,i4,i4,i4)','resolution a b c', resolution
|
||||
print '(a,/,f6.1,f6.1,f6.1)','dimension x y z', meshdimension
|
||||
print *,'homogenization',homog
|
||||
print *, ''
|
||||
|
||||
allocate (workfft(resolution(1),resolution(2),resolution(3),3,3)); workfft = 0.0_pReal
|
||||
allocate (gamma_hat(resolution(1),resolution(2),resolution(3),3,3,3,3)); gamma_hat = 0.0_pReal
|
||||
allocate (xi(resolution(1),resolution(2),resolution(3),3)); xi = 0.0_pReal
|
||||
allocate (pstress_field(resolution(1),resolution(2),resolution(3),3,3)); pstress_field = 0.0_pReal
|
||||
allocate (cstress_field(resolution(1),resolution(2),resolution(3),3,3)); cstress_field = 0.0_pReal
|
||||
allocate (displacement(resolution(1),resolution(2),resolution(3),3)); displacement = 0.0_pReal
|
||||
allocate (defgrad(resolution(1),resolution(2),resolution(3),3,3)); defgrad = 0.0_pReal
|
||||
allocate (defgradold(resolution(1),resolution(2),resolution(3),3,3)); defgradold = 0.0_pReal
|
||||
allocate (ddefgrad(resolution(1),resolution(2),resolution(3))); ddefgrad = 0.0_pReal
|
||||
|
||||
! Initialization of fftw (see manual on fftw.org for more details)
|
||||
call dfftw_init_threads(ierr)
|
||||
call dfftw_plan_with_nthreads(4)
|
||||
do m = 1,3; do n = 1,3
|
||||
call dfftw_plan_dft_3d(plan_fft(1,m,n),resolution(1),resolution(2),resolution(3),&
|
||||
pstress_field(:,:,:,m,n), workfft(:,:,:,m,n), FFTW_PATIENT, FFTW_FORWARD)
|
||||
call dfftw_plan_dft_3d(plan_fft(2,m,n),resolution(1),resolution(2),resolution(3),&
|
||||
workfft(:,:,:,m,n), ddefgrad(:,:,:), FFTW_PATIENT, FFTW_BACKWARD)
|
||||
enddo; enddo
|
||||
|
||||
prodnn = resolution(1)*resolution(2)*resolution(3)
|
||||
wgt = 1_pReal/real(prodnn, pReal)
|
||||
defgradAim = math_I3
|
||||
defgradAimOld = math_I3
|
||||
defgrad_av = math_I3
|
||||
! Initialization of CPFEM_general (= constitutive law) and of deformation gradient field
|
||||
ielem = 0_pInt
|
||||
c066 = 0.0_pReal
|
||||
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
|
||||
defgrad(i,j,k,:,:) = math_I3
|
||||
ielem = ielem +1
|
||||
call CPFEM_general(2,math_I3,math_I3,temperature,0.0_pReal,ielem,1_pInt,cstress,dsde,pstress,dPdF)
|
||||
c066 = c066 + dsde
|
||||
enddo; enddo; enddo
|
||||
c066 = c066 * wgt
|
||||
c0 = math_mandel66to3333(c066)
|
||||
call math_invert(6, c066, s066,i, errmatinv)
|
||||
s0 = math_mandel66to3333(s066)
|
||||
|
||||
!calculation of xinormdyad (to calculate gamma_hat) and xi (waves, for proof of equilibrium)
|
||||
do k = 1, resolution(3)
|
||||
k_s(3) = k-1
|
||||
if(k > resolution(3)/2+1) k_s(3) = k_s(3)-resolution(3)
|
||||
do j = 1, resolution(2)
|
||||
k_s(2) = j-1
|
||||
if(j > resolution(2)/2+1) k_s(2) = k_s(2)-resolution(2)
|
||||
do i = 1, resolution(1)
|
||||
k_s(1) = i-1
|
||||
if(i > resolution(1)/2+1) k_s(1) = k_s(1)-resolution(1)
|
||||
xi(i,j,k,3) = 0.0_pReal
|
||||
if(resolution(3) > 1) xi(i,j,k,3) = real(k_s(3), pReal)/meshdimension(3)
|
||||
xi(i,j,k,2) = real(k_s(2), pReal)/meshdimension(2)
|
||||
xi(i,j,k,1) = real(k_s(1), pReal)/meshdimension(1)
|
||||
if (any(xi(i,j,k,:) /= 0.0_pReal)) then
|
||||
do l = 1,3; do m = 1,3
|
||||
xinormdyad(l,m) = xi(i,j,k, l)*xi(i,j,k, m)/sum(xi(i,j,k,:)**2)
|
||||
enddo; enddo
|
||||
else
|
||||
xinormdyad = 0.0_pReal
|
||||
endif
|
||||
temp33_Real = math_mul3333xx33(c0, xinormdyad)
|
||||
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) * xinormdyad(m,p)
|
||||
! gamma_hat(i,j,k, l,m,n,p) = - 0.5_pReal * temp33_Real(l,n) * xinormdyad(m,p)& ! symmetrization????????
|
||||
! - 0.5_pReal * temp33_Real(m,n) * xinormdyad(l,p)
|
||||
enddo; enddo; enddo; enddo
|
||||
enddo; enddo; enddo
|
||||
|
||||
open(539,file='stress-strain.out')
|
||||
! Initialization done
|
||||
|
||||
!*************************************************************
|
||||
!Loop over loadcases defined in the loadcase file
|
||||
do loadcase = 1, N_Loadcases
|
||||
!*************************************************************
|
||||
|
||||
timeinc = bc_timeIncrement(loadcase)/bc_steps(loadcase)
|
||||
guessmode = 0.0_pReal ! change of load case, homogeneous guess for the first step
|
||||
|
||||
mask_defgrad = merge(ones,zeroes,bc_mask(:,:,1,loadcase))
|
||||
mask_stress = merge(ones,zeroes,bc_mask(:,:,2,loadcase))
|
||||
damper = ones/10
|
||||
!*************************************************************
|
||||
! loop oper steps defined in input file for current loadcase
|
||||
do steps = 1, bc_steps(loadcase)
|
||||
!*************************************************************
|
||||
temp33_Real = defgradAim
|
||||
defgradAim = defgradAim & ! update macroscopic displacement gradient (defgrad BC)
|
||||
+ guessmode * mask_stress * (defgradAim - defgradAimOld) &
|
||||
+ math_mul33x33(bc_velocityGrad(:,:,loadcase), defgradAim)*timeinc
|
||||
defgradAimOld = temp33_Real
|
||||
|
||||
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
|
||||
temp33_Real = defgrad(i,j,k,:,:)
|
||||
defgrad(i,j,k,:,:) = defgrad(i,j,k,:,:)& ! old fluctuations as guess for new step, no fluctuations for new loadcase
|
||||
+ guessmode * (defgrad(i,j,k,:,:) - defgradold(i,j,k,:,:))&
|
||||
+ (1.0_pReal-guessmode) * math_mul33x33(bc_velocityGrad(:,:,loadcase),defgradold(i,j,k,:,:))*timeinc
|
||||
defgradold(i,j,k,:,:) = temp33_Real
|
||||
enddo; enddo; enddo
|
||||
|
||||
guessmode = 1.0_pReal ! keep guessing along former trajectory during same loadcase
|
||||
calcmode = 0_pInt ! start calculation of BC fullfillment
|
||||
CPFEM_mode = 1_pInt ! winding forward
|
||||
iter = 0_pInt
|
||||
err_div= 2_pReal * err_div_tol ! go into loop
|
||||
defgradAimCorr = 0.0_pReal ! reset damping calculation
|
||||
damper = damper * 0.9_pReal
|
||||
|
||||
!*************************************************************
|
||||
! convergence loop
|
||||
do while( iter <= itmax .and. &
|
||||
(err_div > err_div_tol .or. &
|
||||
err_stress > err_stress_tol))
|
||||
iter = iter + 1
|
||||
print '(A,I5.5,tr2,A,I5.5)', ' Step = ',steps,'Iteration = ',iter
|
||||
!*************************************************************
|
||||
|
||||
! adjust defgrad to fulfill BCs
|
||||
select case (calcmode)
|
||||
case (0)
|
||||
print *, 'Update Stress Field (constitutive evaluation P(F))'
|
||||
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,:,:), defgrad(i,j,k,:,:),&
|
||||
temperature,timeinc,ielem,1_pInt,&
|
||||
cstress,dsde, pstress, dPdF)
|
||||
enddo; enddo; enddo
|
||||
|
||||
ielem = 0_pInt
|
||||
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
|
||||
ielem = ielem + 1
|
||||
call CPFEM_general(CPFEM_mode,& ! first element in first iteration retains CPFEM_mode 1,
|
||||
defgradold(i,j,k,:,:), defgrad(i,j,k,:,:),& ! others get 2 (saves winding forward effort)
|
||||
temperature,timeinc,ielem,1_pInt,&
|
||||
cstress,dsde, pstress, dPdF)
|
||||
CPFEM_mode = 2_pInt
|
||||
pstress_field(i,j,k,:,:) = pstress
|
||||
cstress_field(i,j,k,:,:) = math_mandel6to33(cstress)
|
||||
enddo; enddo; enddo
|
||||
|
||||
do m = 1,3; do n = 1,3
|
||||
pstress_av(m,n) = sum(pstress_field(:,:,:,m,n)) * wgt
|
||||
cstress_av(m,n) = sum(cstress_field(:,:,:,m,n)) * wgt
|
||||
defgrad_av(m,n) = sum(defgrad(:,:,:,m,n)) * wgt
|
||||
enddo; enddo
|
||||
|
||||
err_stress = maxval(abs(mask_stress * (pstress_av - bc_stress(:,:,loadcase))))
|
||||
err_stress_tol = maxval(abs(pstress_av))*err_stress_tolrel
|
||||
|
||||
print*, 'Correcting deformation gradient to fullfill BCs'
|
||||
defgradAimCorrPrev = defgradAimCorr
|
||||
defgradAimCorr = -mask_stress * math_mul3333xx33(s0, (mask_stress*(pstress_av - bc_stress(:,:,loadcase))))
|
||||
|
||||
do m=1,3; do n =1,3 ! calculate damper (correction is far to strong)
|
||||
if ( sign(1.0_pReal,defgradAimCorr(m,n))/=sign(1.0_pReal,defgradAimCorrPrev(m,n))) then
|
||||
damper(m,n) = max(0.01_pReal,damper(m,n)*0.8)
|
||||
else
|
||||
damper(m,n) = min(1.0_pReal,damper(m,n) *1.2)
|
||||
endif
|
||||
enddo; enddo
|
||||
defgradAimCorr = mask_Stress*(damper * defgradAimCorr)
|
||||
defgradAim = defgradAim + defgradAimCorr
|
||||
|
||||
do m = 1,3; do n = 1,3
|
||||
defgrad(:,:,:,m,n) = defgrad(:,:,:,m,n) + (defgradAim(m,n) - defgrad_av(m,n)) !anticipated target minus current state
|
||||
enddo; enddo
|
||||
err_div = 2 * err_div_tol
|
||||
err_defgrad = maxval(abs(mask_defgrad * (defgrad_av - defgradAim)))
|
||||
print '(a,/,3(3(f12.7,x)/))', ' Deformation Gradient: ',defgrad_av(1:3,:)
|
||||
print '(a,/,3(3(f10.4,x)/))', ' Cauchy Stress [MPa]: ',cstress_av(1:3,:)/1.e6
|
||||
print '(a,E8.2)', ' error defgrad ',err_defgrad
|
||||
print '(2(a,E8.2))', ' error stress ',err_stress,' Tol. = ', err_stress_tol*0.8
|
||||
if(err_stress < err_stress_tol*0.8) then
|
||||
calcmode = 1
|
||||
endif
|
||||
|
||||
! Using the spectral method to calculate the change of deformation gradient, check divergence of stress field in fourier space
|
||||
case (1)
|
||||
print *, 'Update Stress Field (constitutive evaluation P(F))'
|
||||
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,:,:), defgrad(i,j,k,:,:),&
|
||||
temperature,timeinc,ielem,1_pInt,&
|
||||
cstress,dsde, pstress, dPdF)
|
||||
enddo; enddo; enddo
|
||||
|
||||
ielem = 0_pInt
|
||||
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,:,:), defgrad(i,j,k,:,:),&
|
||||
temperature,timeinc,ielem,1_pInt,&
|
||||
cstress,dsde, pstress, dPdF)
|
||||
pstress_field(i,j,k,:,:) = pstress
|
||||
cstress_field(i,j,k,:,:) = math_mandel6to33(cstress)
|
||||
enddo; enddo; enddo
|
||||
|
||||
print *, 'Calculating equilibrium using spectral method'
|
||||
err_div = 0.0_pReal; sigma0 = 0.0_pReal
|
||||
do m = 1,3; do n = 1,3
|
||||
call dfftw_execute_dft(plan_fft(1,m,n), pstress_field(:,:,:,m,n),workfft(:,:,:,m,n))
|
||||
if(n==3) sigma0 = max(sigma0, sum(abs(workfft(1,1,1,m,:)))) ! L infinity Norm of stress tensor
|
||||
enddo; enddo
|
||||
|
||||
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)/2+1
|
||||
err_div = err_div + (maxval(abs(math_mul33x3_complex(workfft(i,j,k,:,:),xi(i,j,k,:))))) ! L infinity Norm of div(stress)
|
||||
temp33_Complex = 0.0_pReal
|
||||
do m = 1,3; do n = 1,3
|
||||
temp33_Complex(m,n) = sum(gamma_hat(i,j,k,m,n,:,:) * workfft(i,j,k,:,:))
|
||||
enddo; enddo
|
||||
workfft(i,j,k,:,:) = temp33_Complex(:,:)
|
||||
enddo; enddo; enddo
|
||||
workfft(1,1,1,:,:) = defgrad_av - math_I3
|
||||
err_div = err_div/real((prodnn/resolution(1)*(resolution(1)/2+1)), pReal)/sigma0 !weighting of error
|
||||
|
||||
do m = 1,3; do n = 1,3
|
||||
call dfftw_execute_dft_c2r(plan_fft(2,m,n), workfft(:,:,:,m,n),ddefgrad(:,:,:))
|
||||
defgrad(:,:,:,m,n) = defgrad(:,:,:,m,n) + real(ddefgrad, pReal) * wgt
|
||||
pstress_av(m,n) = sum(pstress_field(:,:,:,m,n))*wgt
|
||||
cstress_av(m,n) = sum(cstress_field(:,:,:,m,n))*wgt
|
||||
defgrad_av(m,n) = sum(defgrad(:,:,:,m,n))*wgt
|
||||
defgrad(:,:,:,m,n) = defgrad(:,:,:,m,n) + (defgradAim(m,n) - defgrad_av(m,n)) !anticipated target minus current state
|
||||
enddo; enddo
|
||||
|
||||
err_stress = maxval(abs(mask_stress * (pstress_av - bc_stress(:,:,loadcase))))
|
||||
err_stress_tol = maxval(abs(pstress_av))*err_stress_tolrel !accecpt relativ error specified
|
||||
|
||||
print '(2(a,E8.2))', ' error divergence ',err_div,' Tol. = ', err_div_tol
|
||||
print '(2(a,E8.2))', ' error stress ',err_stress,' Tol. = ', err_stress_tol
|
||||
if(err_stress > err_stress_tol .and. err_div < err_div_tol) then ! change to calculation of BCs, reset damper etc.
|
||||
calcmode = 0
|
||||
defgradAimCorr = 0.0_pReal
|
||||
damper = damper * 0.9_pReal
|
||||
endif
|
||||
end select
|
||||
enddo ! end looping when convergency is achieved
|
||||
|
||||
write(539,'(E12.6,a,E12.6)'),defgrad_av(3,3)-1,' ', cstress_av(3,3)
|
||||
print '(a,/,3(3(f12.7,x)/))', ' Deformation Gradient: ',defgrad_av(1:3,:)
|
||||
print *, ''
|
||||
print '(a,/,3(3(f10.4,x)/))', ' Cauchy Stress [MPa]: ',cstress_av(1:3,:)/1.e6
|
||||
print '(A)', '************************************************************'
|
||||
|
||||
! Postprocessing (gsmh output)
|
||||
|
||||
temp33_Real(1,:) = 0.0_pReal; temp33_Real(1,3) = -(real(resolution(3))/meshdimension(3)) ! start just below origin
|
||||
|
||||
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
|
||||
if((j==1).and.(i==1)) then
|
||||
temp33_Real(1,:) = temp33_Real(1,:) + math_mul33x3(defgrad(i,j,k,:,:),&
|
||||
(/0.0_pReal,0.0_pReal,(real(resolution(3))/meshdimension(3))/))
|
||||
temp33_Real(2,:) = temp33_Real(1,:)
|
||||
temp33_Real(3,:) = temp33_Real(1,:)
|
||||
displacement(i,j,k,:) = temp33_Real(1,:)
|
||||
else
|
||||
if(i==1) then
|
||||
temp33_Real(2,:) = temp33_Real(2,:) + math_mul33x3(defgrad(i,j,k,:,:),&
|
||||
(/0.0_pReal,(real(resolution(2))/meshdimension(2)),0.0_pReal/))
|
||||
temp33_Real(3,:) = temp33_Real(2,:)
|
||||
displacement(i,j,k,:) = temp33_Real(2,:)
|
||||
else
|
||||
temp33_Real(3,:) = temp33_Real(3,:) + math_mul33x3(defgrad(i,j,k,:,:),&
|
||||
(/(real(resolution(1))/meshdimension(1)),0.0_pReal,0.0_pReal/))
|
||||
displacement(i,j,k,:) = temp33_Real(3,:)
|
||||
endif
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
|
||||
write(nriter, *) iter; write(nrstep, *) steps
|
||||
open(589,file = 'stress' //trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh')
|
||||
open(588,file = 'disgrad'//trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh')
|
||||
write(589, '(4(A, /), I10)'), '$MeshFormat', '2.1 0 8', '$EndMeshFormat', '$Nodes', prodnn
|
||||
write(588, '(4(A, /), I10)'), '$MeshFormat', '2.1 0 8', '$EndMeshFormat', '$Nodes', 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, 3(tr2, E12.6))'), ielem, displacement(i,j,k,:) !for deformed configuration
|
||||
write(588, '(I10, 3(tr2, E12.6))'), ielem, displacement(i,j,k,:)
|
||||
! write(589, '(4(I10,tr2))'), ielem, i-1,j-1,k-1 !for undeformed configuration
|
||||
! write(588, '(4(I10,tr2))'), ielem, i-1,j-1,k-1
|
||||
enddo; enddo; enddo
|
||||
|
||||
write(589, '(2(A, /), I10)'), '$EndNodes', '$Elements', prodnn
|
||||
write(588, '(2(A, /), I10)'), '$EndNodes', '$Elements', prodnn
|
||||
|
||||
do i = 1, prodnn
|
||||
write(589, '(I10, A, I10)'), i, ' 15 2 1 2', i
|
||||
write(588, '(I10, A, I10)'), i, ' 15 2 1 2', i
|
||||
enddo
|
||||
|
||||
write(589, '(A)'), '$EndElements'
|
||||
write(588, '(A)'), '$EndElements'
|
||||
write(589, '(8(A, /), I10)'), '$NodeData', '1','"'//trim(adjustl('stress'//trim(adjustl(nrstep))//&
|
||||
'-'//trim(adjustl(nriter))//'_cpfem.msh'))//'"','1','0.0', '3', '0', '9', prodnn
|
||||
write(588, '(8(A, /), I10)'), '$NodeData', '1','"'//trim(adjustl('disgrad'//trim(adjustl(nrstep))//&
|
||||
'-'//trim(adjustl(nriter))//'_cpfem.msh'))//'"','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, 9(tr2, E14.8))'), ielem, cstress_field(i,j,k,:,:)
|
||||
write(588, '(i10, 9(tr2, E14.8))'), ielem, defgrad(i,j,k,:,:) - math_I3
|
||||
enddo; enddo; enddo
|
||||
|
||||
write(589, *), '$EndNodeData'
|
||||
write(588, *), '$EndNodeData'
|
||||
close(589); close(588)
|
||||
enddo ! end looping over steps in current loadcase
|
||||
enddo ! end looping over loadcases
|
||||
close(539)
|
||||
|
||||
do i=1,2; do m = 1,3; do n = 1,3
|
||||
call dfftw_destroy_plan(plan_fft(i,m,n))
|
||||
enddo; enddo; enddo
|
||||
|
||||
end program mpie_spectral
|
||||
|
||||
!********************************************************************
|
||||
! quit subroutine to satisfy IO_error
|
||||
!
|
||||
!********************************************************************
|
||||
subroutine quit(id)
|
||||
use prec
|
||||
implicit none
|
||||
|
||||
integer(pInt) id
|
||||
|
||||
stop
|
||||
end subroutine
|
||||
Loading…
Reference in New Issue