Coupled phase field implementation for the basic petsc solver. needs clearing up… work in progress
This commit is contained in:
Pratheek Shanthraj
parent
a05d99a54c
commit
724380c624
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@ -523,7 +523,6 @@ program DAMASK_spectral_Driver
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' increment ', totalIncsCounter, ' NOT converged'
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notConvergedCounter = notConvergedCounter + 1_pInt
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endif; flush(6)
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call utilities_temperatureUpdate()
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if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0_pInt) then ! at output frequency
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write(6,'(1/,a)') ' ... writing results to file ......................................'
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write(resUnit) materialpoint_results ! write result to file
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@ -62,6 +62,10 @@ module DAMASK_spectral_SolverBasicPETSc
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!--------------------------------------------------------------------------------------------------
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! common pointwise data
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real(pReal), private, dimension(:,:,:,:,:), allocatable :: F_lastInc, Fdot, F_lastInc2
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real(pReal), private, dimension(:,:,:), allocatable :: &
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heatSource_lastInc, &
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phaseField_lastInc, &
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phaseFieldDot
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complex(pReal), private, dimension(:,:,:,:,:), allocatable :: inertiaField_fourier
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!--------------------------------------------------------------------------------------------------
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@ -78,7 +82,7 @@ module DAMASK_spectral_SolverBasicPETSc
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C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
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C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness
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S = 0.0_pReal !< current compliance (filled up with zeros)
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real(pReal), private :: err_stress, err_div, err_divPrev, err_divDummy
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real(pReal), private :: err_stress, err_div, err_divPrev, err_divDummy, err_phaseField, phaseField_Avg
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logical, private :: ForwardData
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integer(pInt), private :: &
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totalIter = 0_pInt !< total iteration in current increment
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@ -144,8 +148,10 @@ subroutine basicPETSc_init(temperature)
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temperature
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#include <finclude/petscdmda.h90>
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#include <finclude/petscsnes.h90>
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#include <finclude/petscvec.h>
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real(pReal), dimension(:,:,:,:,:), allocatable :: P
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PetscScalar, dimension(:,:,:,:), pointer :: F
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PetscScalar, dimension(:,:,:,:), pointer :: xx_psc, F
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PetscScalar, dimension(:,:,:), pointer :: phaseField
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PetscErrorCode :: ierr
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PetscObject :: dummy
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real(pReal), dimension(3,3) :: &
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@ -167,6 +173,9 @@ subroutine basicPETSc_init(temperature)
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allocate (F_lastInc2(3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
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allocate (Fdot (3,3,grid(1),grid(2),grid(3)),source = 0.0_pReal)
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allocate (inertiaField_fourier (grid1Red,grid(2),grid(3),3,3),source = cmplx(0.0_pReal,0.0_pReal,pReal))
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allocate (heatSource_lastInc (grid(1),grid(2),grid(3)),source = 0.0_pReal)
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allocate (phaseField_lastInc(grid(1),grid(2),grid(3)),source = 0.0_pReal)
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allocate (phaseFieldDot (grid(1),grid(2),grid(3)),source = 0.0_pReal)
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!--------------------------------------------------------------------------------------------------
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! initialize solver specific parts of PETSc
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@ -174,9 +183,10 @@ subroutine basicPETSc_init(temperature)
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call DMDACreate3d(PETSC_COMM_WORLD, &
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DMDA_BOUNDARY_NONE, DMDA_BOUNDARY_NONE, DMDA_BOUNDARY_NONE, &
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DMDA_STENCIL_BOX,grid(1),grid(2),grid(3),PETSC_DECIDE,PETSC_DECIDE,PETSC_DECIDE, &
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9,1,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,da,ierr)
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10,1,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,PETSC_NULL_INTEGER,da,ierr)
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CHKERRQ(ierr)
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call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr)
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!call DMDASNESSetFunctionLocal(da,INSERT_VALUES,BasicPETSC_formResidual,dummy,ierr); CHKERRQ(ierr) ! needed for newer versions of petsc
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call DMDASetLocalFunction(da,BasicPETSC_formResidual,ierr); CHKERRQ(ierr)
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call SNESSetDM(snes,da,ierr); CHKERRQ(ierr)
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call SNESSetConvergenceTest(snes,BasicPETSC_converged,dummy,PETSC_NULL_FUNCTION,ierr)
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@ -188,12 +198,16 @@ subroutine basicPETSc_init(temperature)
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!--------------------------------------------------------------------------------------------------
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! init fields
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call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! get the data out of PETSc to work with
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call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr) ! get the data out of PETSc to work with
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F => xx_psc(0:8,:,:,:)
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phaseField => xx_psc(9,:,:,:)
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if (restartInc == 1_pInt) then ! no deformation (no restart)
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F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid(3)) ! initialize to identity
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F = reshape(F_lastInc,[9,grid(1),grid(2),grid(3)])
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F_lastInc2 = F_lastInc
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phaseField = temperature
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phaseField_lastInc = temperature
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elseif (restartInc > 1_pInt) then ! using old values from file
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if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0) &
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write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
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@ -227,10 +241,10 @@ subroutine basicPETSc_init(temperature)
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mesh_ipCoordinates = reshape(mesh_deformedCoordsFFT(geomSize,reshape(&
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F,[3,3,grid(1),grid(2),grid(3)])),[3,1,product(grid)])
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call Utilities_constitutiveResponse(&
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reshape(F(0:8,0:grid(1)-1_pInt,0:grid(2)-1_pInt,0:grid(3)-1_pInt),[3,3,grid(1),grid(2),grid(3)]),&
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reshape(F(0:8,0:grid(1)-1_pInt,0:grid(2)-1_pInt,0:grid(3)-1_pInt),[3,3,grid(1),grid(2),grid(3)]),&
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reshape(F,[3,3,grid(1),grid(2),grid(3)]),&
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reshape(F,[3,3,grid(1),grid(2),grid(3)]),&
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temperature,0.0_pReal,P,C_volAvg,C_minmaxAvg,temp33_Real,.false.,math_I3)
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call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! write data back into PETSc
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call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr) ! write data back into PETSc
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if (restartInc == 1_pInt) then ! use initial stiffness as reference stiffness
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temp3333_Real = C_minMaxAvg
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endif
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@ -267,6 +281,8 @@ type(tSolutionState) function basicPETSc_solution( &
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use FEsolving, only: &
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restartWrite, &
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terminallyIll
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use homogenization, only: &
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materialpoint_heat
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implicit none
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#include <finclude/petscdmda.h90>
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@ -291,12 +307,14 @@ type(tSolutionState) function basicPETSc_solution( &
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!--------------------------------------------------------------------------------------------------
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! PETSc Data
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PetscScalar, pointer :: F(:,:,:,:)
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PetscScalar, pointer :: xx_psc(:,:,:,:), F(:,:,:,:), phaseField(:,:,:)
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PetscErrorCode :: ierr
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SNESConvergedReason :: reason
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incInfo = incInfoIn
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call DMDAVecGetArrayF90(da,solution_vec,F,ierr)
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call DMDAVecGetArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr) ! get the data out of PETSc to work with
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F => xx_psc(0:8,:,:,:)
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phaseField => xx_psc(9,:,:,:)
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!--------------------------------------------------------------------------------------------------
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! restart information for spectral solver
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if (restartWrite) then
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@ -327,6 +345,7 @@ type(tSolutionState) function basicPETSc_solution( &
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F_aim = F_aim_lastInc
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F = reshape(F_lastInc,[9,grid(1),grid(2),grid(3)])
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C_volAvg = C_volAvgLastInc
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phaseField = phaseField_lastInc
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else
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C_volAvgLastInc = C_volAvg
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@ -349,14 +368,18 @@ type(tSolutionState) function basicPETSc_solution( &
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F,[3,3,grid(1),grid(2),grid(3)])),[3,1,product(grid)])
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Fdot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,params%rotation_BC), &
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timeinc_old,guess,F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid(3)]))
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phaseFieldDot = (phaseField - phaseField_lastInc)/timeinc_old
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F_lastInc2 = F_lastInc
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F_lastInc = reshape(F,[3,3,grid(1),grid(2),grid(3)])
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phaseField_lastInc = phaseField
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heatSource_lastInc = reshape(materialpoint_heat(1,:),[grid(1),grid(2),grid(3)])
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endif
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F_aim = F_aim + f_aimDot * timeinc
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F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot,math_rotate_backward33(F_aim, &
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rotation_BC)),[9,grid(1),grid(2),grid(3)])
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call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
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phaseField = phaseField_lastInc + phaseFieldDot*timeinc
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call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr)
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!--------------------------------------------------------------------------------------------------
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! update stiffness (and gamma operator)
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@ -412,26 +435,50 @@ subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr)
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wgt, &
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field_real, &
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field_fourier, &
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phaseField_real, &
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phaseField_fourier, &
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Utilities_FFTforward, &
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Utilities_FFTbackward, &
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utilities_scalarFFTforward, &
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utilities_scalarFFTbackward, &
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Utilities_fourierConvolution, &
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Utilities_inverseLaplace, &
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Utilities_diffusion, &
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Utilities_constitutiveResponse, &
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Utilities_divergenceRMS
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use IO, only: &
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IO_intOut
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use crystallite, only: &
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crystallite_temperature
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use homogenization, only: &
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materialpoint_heat
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implicit none
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DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: &
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in
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PetscScalar, dimension(3,3,grid(1),grid(2),grid(3)) :: &
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x_scal, &
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PetscScalar, target, dimension(10, &
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XG_RANGE,YG_RANGE,ZG_RANGE) :: &
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x_scal
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PetscScalar, target, dimension(10, &
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X_RANGE,Y_RANGE,Z_RANGE) :: &
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f_scal
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PetscScalar, pointer, dimension(:,:,:,:) :: &
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F, &
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residual_F
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PetscScalar, pointer, dimension(:,:,:) :: &
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phaseField, &
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residual_phaseField
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PetscInt :: &
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PETScIter, &
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nfuncs
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PetscObject :: dummy
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PetscErrorCode :: ierr
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real(pReal) :: mobility, diffusivity
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F => x_scal(1:9,1:grid(1),1:grid(2),1:grid(3))
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residual_F => f_scal(1:9,1:grid(1),1:grid(2),1:grid(3))
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phaseField => x_scal(10,1:grid(1),1:grid(2),1:grid(3))
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residual_phaseField => f_scal(10,1:grid(1),1:grid(2),1:grid(3))
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call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
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call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
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@ -453,24 +500,26 @@ subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr)
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!--------------------------------------------------------------------------------------------------
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! evaluate inertia
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if (params%density > 0.0_pReal) then
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f_scal = ((x_scal - F_lastInc)/params%timeinc - (F_lastInc - F_lastInc2)/params%timeincOld)/&
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((params%timeinc + params%timeincOld)/2.0_pReal)
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f_scal = params%density*product(geomSize/grid)*f_scal
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dynamic: if (params%density > 0.0_pReal) then
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residual_F = ((F - reshape(F_lastInc,[9,grid(1),grid(2),grid(3)]))/params%timeinc - &
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reshape(F_lastInc - F_lastInc2, [9,grid(1),grid(2),grid(3)])/params%timeincOld)/&
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((params%timeinc + params%timeincOld)/2.0_pReal)
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residual_F = params%density*product(geomSize/grid)*residual_F
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field_real = 0.0_pReal
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field_real(1:grid(1),1:grid(2),1:grid(3),1:3,1:3) = reshape(f_scal,[grid(1),grid(2),grid(3),3,3],&
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field_real(1:grid(1),1:grid(2),1:grid(3),1:3,1:3) = reshape(residual_F,[grid(1),grid(2),grid(3),3,3],&
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order=[4,5,1,2,3]) ! field real has a different order
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call Utilities_FFTforward()
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call Utilities_inverseLaplace()
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inertiaField_fourier = field_fourier
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else
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else dynamic
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inertiaField_fourier = cmplx(0.0_pReal,0.0_pReal,pReal)
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endif
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endif dynamic
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!--------------------------------------------------------------------------------------------------
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! evaluate constitutive response
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call Utilities_constitutiveResponse(F_lastInc,x_scal,params%temperature,params%timeinc, &
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f_scal,C_volAvg,C_minmaxAvg,P_av,ForwardData,params%rotation_BC)
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crystallite_temperature(1,1_pInt:product(grid)) = reshape(phaseField,[product(grid)])
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call Utilities_constitutiveResponse(F_lastInc,F,params%temperature,params%timeinc, &
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residual_F,C_volAvg,C_minmaxAvg,P_av,ForwardData,params%rotation_BC)
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ForwardData = .false.
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!--------------------------------------------------------------------------------------------------
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@ -482,7 +531,7 @@ if (params%density > 0.0_pReal) then
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!--------------------------------------------------------------------------------------------------
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! updated deformation gradient using fix point algorithm of basic scheme
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field_real = 0.0_pReal
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field_real(1:grid(1),1:grid(2),1:grid(3),1:3,1:3) = reshape(f_scal,[grid(1),grid(2),grid(3),3,3],&
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field_real(1:grid(1),1:grid(2),1:grid(3),1:3,1:3) = reshape(residual_F,[grid(1),grid(2),grid(3),3,3],&
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order=[4,5,1,2,3]) ! field real has a different order
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call Utilities_FFTforward()
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field_fourier = field_fourier + inertiaField_fourier
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@ -492,7 +541,29 @@ if (params%density > 0.0_pReal) then
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!--------------------------------------------------------------------------------------------------
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! constructing residual
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f_scal = reshape(field_real(1:grid(1),1:grid(2),1:grid(3),1:3,1:3),shape(x_scal),order=[3,4,5,1,2])
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residual_F = reshape(field_real(1:grid(1),1:grid(2),1:grid(3),1:3,1:3),&
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[9,grid(1),grid(2),grid(3)],order=[2,3,4,1])
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!--------------------------------------------------------------------------------------------------
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! constructing phase field residual
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diffusivity = 400.0; mobility = 4e6 !sample coefficients for copper... need to clear this up with better mode of input
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phaseField_real = 0.0_pReal
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phaseField_real(1:grid(1),1:grid(2),1:grid(3)) = phaseField_lastInc
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call utilities_scalarFFTforward()
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call utilities_diffusion(diffusivity/mobility,params%timeinc)
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call utilities_scalarFFTbackward()
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residual_phaseField = phaseField_real(1:grid(1),1:grid(2),1:grid(3))
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phaseField_real = 0.0_pReal
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phaseField_real(1:grid(1),1:grid(2),1:grid(3)) = &
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(heatSource_lastInc + reshape(materialpoint_heat(1,1_pInt:product(grid)),[grid(1),grid(2),grid(3)]))* &
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params%timeinc/mobility/2.0_pReal
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call utilities_scalarFFTforward()
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call utilities_diffusion(diffusivity/mobility,params%timeinc/2.0_pReal)
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call utilities_scalarFFTbackward()
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residual_phaseField = phaseField - &
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(residual_phaseField + phaseField_real(1:grid(1),1:grid(2),1:grid(3)))
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err_phaseField = maxval(abs(residual_phaseField)); phaseField_Avg = sum(phaseField)*wgt
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end subroutine BasicPETSc_formResidual
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@ -531,7 +602,8 @@ subroutine BasicPETSc_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,du
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converged: if ((totalIter >= itmin .and. &
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all([ err_div/divTol, &
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err_stress/stressTol ] < 1.0_pReal)) &
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err_stress/stressTol, &
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err_phaseField/phaseField_Avg/1.0e-3 ] < 1.0_pReal)) &
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.or. terminallyIll) then
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reason = 1
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elseif (totalIter >= itmax) then converged
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@ -547,6 +619,8 @@ subroutine BasicPETSc_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,du
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err_div/divTol, ' (',err_div,' / m, tol =',divTol,')'
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write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', &
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err_stress/stressTol, ' (',err_stress, ' Pa, tol =',stressTol,')'
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write(6,'(a,f10.2,a,es8.2,a,es9.2,a)') ' error phase field = ', &
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err_phaseField/phaseField_Avg/1.0e-3, ' (',err_phaseField/phaseField_Avg, ' Pa, tol =',1.0e-3,')'
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write(6,'(/,a)') ' ==========================================================================='
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flush(6)
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@ -47,6 +47,8 @@ module DAMASK_spectral_utilities
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integer(pInt), public :: grid1Red !< grid(1)/2
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real(pReal), public, dimension(:,:,:,:,:), pointer :: field_real !< real representation (some stress or deformation) of field_fourier
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complex(pReal),public, dimension(:,:,:,:,:), pointer :: field_fourier !< field on which the Fourier transform operates
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real(pReal), public, dimension(:,:,:), pointer :: phaseField_real !< real representation (some stress or deformation) of field_fourier
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complex(pReal),public, dimension(:,:,:), pointer :: phaseField_fourier !< field on which the Fourier transform operates
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real(pReal), private, dimension(:,:,:,:,:,:,:), allocatable :: gamma_hat !< gamma operator (field) for spectral method
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real(pReal), private, dimension(:,:,:,:), allocatable :: xi !< wave vector field for divergence and for gamma operator
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real(pReal), private, dimension(3,3,3,3) :: C_ref !< reference stiffness
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@ -67,6 +69,8 @@ module DAMASK_spectral_utilities
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type(C_PTR), private :: &
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planForth, & !< FFTW plan P(x) to P(k)
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planBack, & !< FFTW plan F(k) to F(x)
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planPhaseFieldForth, & !< FFTW plan P(x) to P(k)
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planPhaseFieldBack, & !< FFTW plan F(k) to F(x)
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||||
planDebugForth, & !< FFTW plan for scalar field (proof that order of usual transform is correct)
|
||||
planDebugBack, & !< FFTW plan for scalar field inverse (proof that order of usual transform is correct)
|
||||
planDiv !< plan for FFTW in case of debugging divergence calculation
|
||||
|
|
@ -101,8 +105,11 @@ module DAMASK_spectral_utilities
|
|||
utilities_updateGamma, &
|
||||
utilities_FFTforward, &
|
||||
utilities_FFTbackward, &
|
||||
utilities_scalarFFTforward, &
|
||||
utilities_scalarFFTbackward, &
|
||||
utilities_fourierConvolution, &
|
||||
utilities_inverseLaplace, &
|
||||
utilities_diffusion, &
|
||||
utilities_divergenceRMS, &
|
||||
utilities_curlRMS, &
|
||||
utilities_maskedCompliance, &
|
||||
|
|
@ -169,6 +176,7 @@ subroutine utilities_init()
|
|||
integer(pInt), parameter :: fileUnit = 228_pInt
|
||||
integer(pInt), dimension(3) :: k_s
|
||||
type(C_PTR) :: &
|
||||
phaseFieldFFT, &
|
||||
tensorField, & !< field cotaining data for FFTW in real and fourier space (in place)
|
||||
scalarField_realC, & !< field cotaining data for FFTW in real space when debugging FFTW (no in place)
|
||||
scalarField_fourierC, & !< field cotaining data for FFTW in fourier space when debugging FFTW (no in place)
|
||||
|
|
@ -231,8 +239,11 @@ subroutine utilities_init()
|
|||
! allocation
|
||||
allocate (xi(3,grid1Red,grid(2),grid(3)),source = 0.0_pReal) ! frequencies, only half the size for first dimension
|
||||
tensorField = fftw_alloc_complex(int(grid1Red*grid(2)*grid(3)*9_pInt,C_SIZE_T)) ! allocate aligned data using a C function, C_SIZE_T is of type integer(8)
|
||||
phaseFieldFFT = fftw_alloc_complex(int(grid1Red*grid(2)*grid(3),C_SIZE_T)) ! allocate aligned data using a C function, C_SIZE_T is of type integer(8)
|
||||
call c_f_pointer(tensorField, field_real, [grid(1)+2_pInt-mod(grid(1),2_pInt),grid(2),grid(3),3,3])! place a pointer for a real representation on tensorField
|
||||
call c_f_pointer(tensorField, field_fourier,[grid1Red, grid(2),grid(3),3,3])! place a pointer for a complex representation on tensorField
|
||||
call c_f_pointer(phaseFieldFFT,phaseField_real,[grid(1)+2_pInt-mod(grid(1),2_pInt),grid(2),grid(3)])! place a pointer for a real representation on tensorField
|
||||
call c_f_pointer(phaseFieldFFT,phaseField_fourier,[grid1Red,grid(2),grid(3)])! place a pointer for a complex representation on tensorField
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! general initialization of FFTW (see manual on fftw.org for more details)
|
||||
|
|
@ -259,6 +270,21 @@ subroutine utilities_init()
|
|||
1, grid(3)*grid(2)*(grid(1)+2_pInt-mod(grid(1),2_pInt)), & ! striding, product of physical length in the 3 dimensions
|
||||
fftw_planner_flag) ! planner precision
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! creating plans for the convolution
|
||||
planPhaseFieldForth = fftw_plan_many_dft_r2c(3,[grid(3),grid(2) ,grid(1)], 1, & ! dimensions, logical length in each dimension in reversed order, no. of transforms
|
||||
phaseField_real,[grid(3),grid(2) ,grid(1)+2_pInt-mod(grid(1),2_pInt)], & ! input data, physical length in each dimension in reversed order
|
||||
1, grid(3)*grid(2)*(grid(1)+2_pInt-mod(grid(1),2_pInt)), & ! striding, product of physical length in the 3 dimensions
|
||||
phaseField_fourier,[grid(3),grid(2) ,grid1Red], & ! output data, physical length in each dimension in reversed order
|
||||
1, grid(3)*grid(2)* grid1Red, fftw_planner_flag) ! striding, product of physical length in the 3 dimensions, planner precision
|
||||
|
||||
planPhaseFieldBack = fftw_plan_many_dft_c2r(3,[grid(3),grid(2) ,grid(1)], 1, & ! dimensions, logical length in each dimension in reversed order, no. of transforms
|
||||
phaseField_fourier,[grid(3),grid(2) ,grid1Red], & ! input data, physical length in each dimension in reversed order
|
||||
1, grid(3)*grid(2)* grid1Red, & ! striding, product of physical length in the 3 dimensions
|
||||
phaseField_real,[grid(3),grid(2) ,grid(1)+2_pInt-mod(grid(1),2_pInt)], & ! output data, physical length in each dimension in reversed order
|
||||
1, grid(3)*grid(2)*(grid(1)+2_pInt-mod(grid(1),2_pInt)), & ! striding, product of physical length in the 3 dimensions
|
||||
fftw_planner_flag) ! planner precision
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! depending on debug options, allocate more memory and create additional plans
|
||||
if (debugDivergence) then
|
||||
|
|
@ -487,6 +513,59 @@ subroutine utilities_FFTbackward()
|
|||
end subroutine utilities_FFTbackward
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief forward FFT of data in field_real to field_fourier with highest freqs. removed
|
||||
!> @details Does an unweighted FFT transform from real to complex.
|
||||
!> In case of debugging the FFT, also one component of the tensor (specified by row and column)
|
||||
!> is independetly transformed complex to complex and compared to the whole tensor transform
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine utilities_scalarFFTforward()
|
||||
use math
|
||||
|
||||
implicit none
|
||||
integer(pInt), dimension(2:3,2) :: Nyquist ! highest frequencies to be removed (1 if even, 2 if odd)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! doing the FFT
|
||||
call fftw_execute_dft_r2c(planPhaseFieldForth,phaseField_real,phaseField_fourier)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! removing highest frequencies
|
||||
Nyquist(2,1:2) = [grid(2)/2_pInt + 1_pInt, grid(2)/2_pInt + 1_pInt + mod(grid(2),2_pInt)]
|
||||
Nyquist(3,1:2) = [grid(3)/2_pInt + 1_pInt, grid(3)/2_pInt + 1_pInt + mod(grid(3),2_pInt)]
|
||||
|
||||
if(grid(1)/=1_pInt) & ! do not delete the whole slice in case of 2D calculation
|
||||
phaseField_fourier (grid1Red, 1:grid(2), 1:grid(3)) &
|
||||
= cmplx(0.0_pReal,0.0_pReal,pReal)
|
||||
if(grid(2)/=1_pInt) & ! do not delete the whole slice in case of 2D calculation
|
||||
phaseField_fourier (1:grid1Red,Nyquist(2,1):Nyquist(2,2),1:grid(3)) &
|
||||
= cmplx(0.0_pReal,0.0_pReal,pReal)
|
||||
if(grid(3)/=1_pInt) & ! do not delete the whole slice in case of 2D calculation
|
||||
phaseField_fourier (1:grid1Red,1:grid(2),Nyquist(3,1):Nyquist(3,2)) &
|
||||
= cmplx(0.0_pReal,0.0_pReal,pReal)
|
||||
end subroutine utilities_scalarFFTforward
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief backward FFT of data in field_fourier to field_real
|
||||
!> @details Does an inverse FFT transform from complex to real
|
||||
!> In case of debugging the FFT, also one component of the tensor (specified by row and column)
|
||||
!> is independetly transformed complex to complex and compared to the whole tensor transform
|
||||
!> results is weighted by number of points stored in wgt
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine utilities_scalarFFTbackward()
|
||||
use math !< must use the whole module for use of FFTW
|
||||
|
||||
implicit none
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! doing the iFFT
|
||||
call fftw_execute_dft_c2r(planPhaseFieldBack,phaseField_fourier,phaseField_real) ! back transform of fluct deformation gradient
|
||||
phaseField_real = phaseField_real * wgt ! normalize the result by number of elements
|
||||
|
||||
end subroutine utilities_scalarFFTbackward
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief doing convolution with inverse laplace kernel
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -522,6 +601,39 @@ field_fourier(1,1,1,1:3,1:3) = cmplx(0.0_pReal,0.0_pReal,pReal)
|
|||
end subroutine utilities_inverseLaplace
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief doing convolution with inverse laplace kernel
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine utilities_diffusion(coefficient,timeinc)
|
||||
use math, only: &
|
||||
PI
|
||||
|
||||
implicit none
|
||||
real(pReal),intent(in) :: timeinc, coefficient
|
||||
integer(pInt) :: i, j, k
|
||||
integer(pInt), dimension(3) :: k_s
|
||||
|
||||
write(6,'(/,a)') ' ... doing diffusion .......................................................'
|
||||
flush(6)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! do the actual spectral method calculation (mechanical equilibrium)
|
||||
do k = 1_pInt, grid(3)
|
||||
k_s(3) = k - 1_pInt
|
||||
if(k > grid(3)/2_pInt + 1_pInt) k_s(3) = k_s(3) - grid(3) ! running from 0,1,...,N/2,N/2+1,-N/2,-N/2+1,...,-1
|
||||
do j = 1_pInt, grid(2)
|
||||
k_s(2) = j - 1_pInt
|
||||
if(j > grid(2)/2_pInt + 1_pInt) k_s(2) = k_s(2) - grid(2) ! running from 0,1,...,N/2,N/2+1,-N/2,-N/2+1,...,-1
|
||||
do i = 1_pInt, grid1Red
|
||||
k_s(1) = i - 1_pInt
|
||||
phaseField_fourier(i,j,k) = phaseField_fourier(i,j,k)* &
|
||||
cmplx(exp(-sum((2.0_pReal*PI*real(k_s,pReal)/geomSize)*(2.0_pReal*PI*real(k_s,pReal)/geomSize))* &
|
||||
coefficient*timeinc),0.0_pReal,pReal) ! symmetry, junst running from 0,1,...,N/2,N/2+1
|
||||
enddo; enddo; enddo
|
||||
|
||||
end subroutine utilities_diffusion
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief doing convolution gamma_hat * field_real, ensuring that average value = fieldAim
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -1007,19 +1119,20 @@ end function utilities_getFilter
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief calculates filter for fourier convolution depending on type given in numerics.config
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine utilities_temperatureUpdate()
|
||||
subroutine utilities_temperatureUpdate(timeinc)
|
||||
use crystallite, only: &
|
||||
crystallite_temperature
|
||||
use homogenization, only: &
|
||||
materialpoint_heat
|
||||
|
||||
implicit none
|
||||
real(pReal),intent(in) :: timeinc
|
||||
integer :: &
|
||||
x,y,z,e
|
||||
real(pReal) :: &
|
||||
a
|
||||
forall(e=1_pInt:product(grid)) &
|
||||
crystallite_temperature(1,e) = crystallite_temperature(1,e) + materialpoint_heat(1,e)*0.0001_pReal
|
||||
crystallite_temperature(1,e) = crystallite_temperature(1,e) + materialpoint_heat(1,e)*timeinc
|
||||
e = 0_pInt
|
||||
z = 0_pInt
|
||||
y = 0_pInt
|
||||
|
|
|
|||
|
|
@ -1303,9 +1303,8 @@ subroutine crystallite_stressAndItsTangent(updateJaco,rate_sensitivity)
|
|||
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed
|
||||
do g = 1,myNgrains
|
||||
crystallite_heat(g,i,e) = 0.98_pReal* &
|
||||
math_mul33xx33(crystallite_P(1:3,1:3,g,i,e), &
|
||||
crystallite_partionedF(1:3,1:3,g,i,e)-&
|
||||
crystallite_partionedF0(1:3,1:3,g,i,e))
|
||||
abs(math_mul33xx33(math_Mandel6to33(crystallite_Tstar_v), &
|
||||
crystallite_Lp(1:3,1:3,g,i,e)))
|
||||
enddo
|
||||
enddo
|
||||
enddo elementLooping12
|
||||
|
|
|
|||
Loading…
Reference in New Issue