module DAMASK_spectral_SolverBasic use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment) use DAMASK_spectral_Utilities contains subroutine Basic_Init() call Utilities_Init() end subroutine basic_Init type(solutionState) function basic_solution(guessmode,timeinc,timeinc_old,P_BC,F_BC,mask_stressVector,velgrad,rotation_BC) use numerics, only: & itmax,& itmin use IO, only: & IO_write_JobBinaryFile use FEsolving, only: & restartWrite implicit none !-------------------------------------------------------------------------------------------------- ! input data for solution real(pReal), intent(in) :: timeinc, timeinc_old real(pReal), intent(in) :: guessmode logical, intent(in) :: velgrad real(pReal), dimension(3,3), intent(in) :: P_BC,F_BC,rotation_BC logical, dimension(9), intent(in) :: mask_stressVector real(pReal), dimension(3,3), parameter :: ones = 1.0_pReal, zeroes = 0.0_pReal real(pReal), dimension(3,3) :: temp33_Real ! compliance and stiffness in matrix notation real(pReal), dimension(3,3,3,3) :: S real(pReal), dimension(3,3) :: & mask_stress, & mask_defgrad, & deltaF_aim, & F_aim_lab, & F_aim_lab_lastIter !-------------------------------------------------------------------------------------------------- ! loop variables, convergence etc. real(pReal) :: err_div, err_stress integer(pInt) :: iter integer(pInt) :: i, j, k logical :: ForwardResults real(pReal) :: defgradDet real(pReal) :: defgradDetMax, defgradDetMin mask_stress = merge(ones,zeroes,reshape(mask_stressVector,[3,3])) mask_defgrad = merge(zeroes,ones,reshape(mask_stressVector,[3,3])) if (restartWrite) then write(6,'(a)') 'writing converged results for restart' call IO_write_jobBinaryFile(777,'convergedSpectralDefgrad',size(F_lastInc)) ! writing deformation gradient field to file write (777,rec=1) F_LastInc close (777) call IO_write_jobBinaryFile(777,'C',size(C)) write (777,rec=1) C close(777) endif ForwardResults = .True. if (velgrad) then ! calculate deltaF_aim from given L and current F deltaF_aim = timeinc * mask_defgrad * math_mul33x33(F_BC, F_aim) else ! deltaF_aim = fDot *timeinc where applicable deltaF_aim = timeinc * mask_defgrad * F_BC endif !-------------------------------------------------------------------------------------------------- ! winding forward of deformation aim in loadcase system temp33_Real = F_aim F_aim = F_aim & + guessmode * mask_stress * (F_aim - F_aim_lastInc)*timeinc/timeinc_old & + deltaF_aim F_aim_lastInc = temp33_Real F_aim_lab = math_rotate_backward33(F_aim,rotation_BC) ! boundary conditions from load frame into lab (Fourier) frame !-------------------------------------------------------------------------------------------------- ! update local deformation gradient and coordinates deltaF_aim = math_rotate_backward33(deltaF_aim,rotation_BC) do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1) temp33_Real = F(i,j,k,1:3,1:3) F(i,j,k,1:3,1:3) = F(i,j,k,1:3,1:3) & ! decide if guessing along former trajectory or apply homogeneous addon + guessmode * (F(i,j,k,1:3,1:3) - F_lastInc(i,j,k,1:3,1:3))*timeinc/timeinc_old& ! guessing... + (1.0_pReal-guessmode) * deltaF_aim ! if not guessing, use prescribed average deformation where applicable F_lastInc(i,j,k,1:3,1:3) = temp33_Real enddo; enddo; enddo call deformed_fft(res,geomdim,math_rotate_backward33(F_aim,rotation_BC),& ! calculate current coordinates 1.0_pReal,F_lastInc,coordinates) iter = 0_pInt S = S_lastInc(rotation_BC,mask_stressVector) convergenceLoop: do while((iter < itmax .and. (any([err_div ,err_stress] > 1.0_pReal)))& .or. iter < itmin) iter = iter + 1_pInt !-------------------------------------------------------------------------------------------------- ! report begin of new iteration write(6,'(a)') '' write(6,'(a)') '==================================================================' write(6,'(3(a,i6.6))') ' @ Iter. ',itmin,' < ',iter,' < ',itmax write(6,'(a,/,3(3(f12.7,1x)/))',advance='no') 'deformation gradient aim =',& math_transpose33(F_aim) F_aim_lab_lastIter = math_rotate_backward33(F_aim,rotation_BC) !-------------------------------------------------------------------------------------------------- ! evaluate constitutive response call constitutiveResponse(ForwardResults,timeInc) ForwardResults = .False. !-------------------------------------------------------------------------------------------------- ! stress BC handling if(any(mask_stressVector)) then ! calculate stress BC if applied err_stress = BCcorrection(mask_stressVector,P_BC,S) else err_stress = 0.0_pReal endif F_aim_lab = math_rotate_backward33(F_aim,rotation_BC) ! boundary conditions from load frame into lab (Fourier) frame !-------------------------------------------------------------------------------------------------- ! updated deformation gradient field_real(1:res(1),1:res(2),1:res(3),1:3,1:3) = P err_div = convolution(.True.,F_aim_lab_lastIter - F_aim_lab) do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1) F(i,j,k,1:3,1:3) = F(i,j,k,1:3,1:3) - field_real(i,j,k,1:3,1:3) ! F(x)^(n+1) = F(x)^(n) + correction; *wgt: correcting for missing normalization enddo; enddo; enddo !-------------------------------------------------------------------------------------------------- ! calculate bounds of det(F) and report if(debugGeneral) then defgradDetMax = -huge(1.0_pReal) defgradDetMin = +huge(1.0_pReal) do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1) defgradDet = math_det33(F(i,j,k,1:3,1:3)) defgradDetMax = max(defgradDetMax,defgradDet) defgradDetMin = min(defgradDetMin,defgradDet) enddo; enddo; enddo write(6,'(a,1x,es11.4)') 'max determinant of deformation =', defgradDetMax write(6,'(a,1x,es11.4)') 'min determinant of deformation =', defgradDetMin endif enddo convergenceLoop end function basic_solution end module DAMASK_spectral_SolverBasic