separate functionality
This commit is contained in:
Martin Diehl
parent
39287ae61f
commit
6a6256dd34
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@ -74,9 +74,22 @@ end subroutine CPFEM_initAll
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!--------------------------------------------------------------------------------------------------
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subroutine CPFEM_init
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integer(HID_T) :: fileHandle
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character(len=pStringLen) :: fileName
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print'(/,a)', ' <<<+- CPFEM init -+>>>'; flush(IO_STDOUT)
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if (interface_restartInc > 0) call crystallite_restartRead
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if (interface_restartInc > 0) then
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print'(/,a,i0,a)', ' reading restart information of increment from file'; flush(IO_STDOUT)
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write(fileName,'(a,i0,a)') trim(getSolverJobName())//'_',worldrank,'.hdf5'
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fileHandle = HDF5_openFile(fileName)
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call constitutive_restartRead(fileHandle)
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call HDF5_closeFile(fileHandle)
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endif
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end subroutine CPFEM_init
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@ -85,8 +98,19 @@ end subroutine CPFEM_init
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!> @brief Write restart information.
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!--------------------------------------------------------------------------------------------------
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subroutine CPFEM_restartWrite
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integer(HID_T) :: fileHandle
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character(len=pStringLen) :: fileName
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call crystallite_restartWrite
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print*, ' writing field and constitutive data required for restart to file';flush(IO_STDOUT)
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write(fileName,'(a,i0,a)') trim(getSolverJobName())//'_',worldrank,'.hdf5'
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fileHandle = HDF5_openFile(fileName,'a')
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call constitutive_restartWrite(fileHandle)
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call HDF5_closeFile(fileHandle)
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end subroutine CPFEM_restartWrite
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@ -184,6 +184,15 @@ module constitutive
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includeL
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end subroutine mech_restore
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module function constitutive_mech_dPdF(dt,co,ip,el) result(dPdF)
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real(pReal), intent(in) :: dt
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integer, intent(in) :: &
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co, & !< counter in constituent loop
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ip, & !< counter in integration point loop
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el !< counter in element loop
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real(pReal), dimension(3,3,3,3) :: dPdF
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end function constitutive_mech_dPdF
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! == cleaned:end ===================================================================================
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module function crystallite_stress(dt,co,ip,el) result(converged_)
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@ -384,16 +393,16 @@ module constitutive
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converged, &
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crystallite_init, &
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crystallite_stress, &
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crystallite_stressTangent, &
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constitutive_mech_dPdF, &
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crystallite_orientations, &
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crystallite_push33ToRef, &
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crystallite_restartWrite, &
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constitutive_restartWrite, &
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constitutive_restartRead, &
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integrateSourceState, &
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constitutive_mech_setF, &
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constitutive_mech_getLp, &
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constitutive_mech_getF, &
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constitutive_mech_getS, &
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crystallite_restartRead, &
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constitutive_initializeRestorationPoints, &
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constitutive_windForward, &
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PLASTICITY_UNDEFINED_ID, &
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@ -975,134 +984,6 @@ subroutine constitutive_windForward(ip,el)
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end subroutine constitutive_windForward
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!--------------------------------------------------------------------------------------------------
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!> @brief Calculate tangent (dPdF).
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!--------------------------------------------------------------------------------------------------
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function crystallite_stressTangent(dt,co,ip,el) result(dPdF)
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real(pReal), intent(in) :: dt
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integer, intent(in) :: &
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co, & !< counter in constituent loop
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ip, & !< counter in integration point loop
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el !< counter in element loop
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real(pReal), dimension(3,3,3,3) :: dPdF
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integer :: &
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o, &
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p, ph, me
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real(pReal), dimension(3,3) :: devNull, &
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invSubFp0,invSubFi0,invFp,invFi, &
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temp_33_1, temp_33_2, temp_33_3
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real(pReal), dimension(3,3,3,3) :: dSdFe, &
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dSdF, &
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dSdFi, &
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dLidS, & ! tangent in lattice configuration
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dLidFi, &
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dLpdS, &
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dLpdFi, &
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dFidS, &
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dFpinvdF, &
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rhs_3333, &
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lhs_3333, &
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temp_3333
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real(pReal), dimension(9,9):: temp_99
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logical :: error
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ph = material_phaseAt(co,el)
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me = material_phaseMemberAt(co,ip,el)
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call constitutive_hooke_SandItsTangents(devNull,dSdFe,dSdFi, &
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constitutive_mech_Fe(ph)%data(1:3,1:3,me), &
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constitutive_mech_Fi(ph)%data(1:3,1:3,me),co,ip,el)
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call constitutive_LiAndItsTangents(devNull,dLidS,dLidFi, &
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constitutive_mech_S(ph)%data(1:3,1:3,me), &
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constitutive_mech_Fi(ph)%data(1:3,1:3,me), &
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co,ip,el)
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invFp = math_inv33(constitutive_mech_Fp(ph)%data(1:3,1:3,me))
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invFi = math_inv33(constitutive_mech_Fi(ph)%data(1:3,1:3,me))
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invSubFp0 = math_inv33(constitutive_mech_partitionedFp0(ph)%data(1:3,1:3,me))
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invSubFi0 = math_inv33(constitutive_mech_partitionedFi0(ph)%data(1:3,1:3,me))
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if (sum(abs(dLidS)) < tol_math_check) then
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dFidS = 0.0_pReal
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else
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lhs_3333 = 0.0_pReal; rhs_3333 = 0.0_pReal
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do o=1,3; do p=1,3
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lhs_3333(1:3,1:3,o,p) = lhs_3333(1:3,1:3,o,p) &
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+ matmul(invSubFi0,dLidFi(1:3,1:3,o,p)) * dt
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lhs_3333(1:3,o,1:3,p) = lhs_3333(1:3,o,1:3,p) &
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+ invFi*invFi(p,o)
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rhs_3333(1:3,1:3,o,p) = rhs_3333(1:3,1:3,o,p) &
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- matmul(invSubFi0,dLidS(1:3,1:3,o,p)) * dt
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enddo; enddo
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call math_invert(temp_99,error,math_3333to99(lhs_3333))
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if (error) then
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call IO_warning(warning_ID=600,el=el,ip=ip,g=co, &
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ext_msg='inversion error in analytic tangent calculation')
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dFidS = 0.0_pReal
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else
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dFidS = math_mul3333xx3333(math_99to3333(temp_99),rhs_3333)
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endif
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dLidS = math_mul3333xx3333(dLidFi,dFidS) + dLidS
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endif
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call constitutive_plastic_LpAndItsTangents(devNull,dLpdS,dLpdFi, &
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constitutive_mech_S(ph)%data(1:3,1:3,me), &
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constitutive_mech_Fi(ph)%data(1:3,1:3,me),co,ip,el)
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dLpdS = math_mul3333xx3333(dLpdFi,dFidS) + dLpdS
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!--------------------------------------------------------------------------------------------------
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! calculate dSdF
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temp_33_1 = transpose(matmul(invFp,invFi))
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temp_33_2 = matmul(constitutive_mech_F(ph)%data(1:3,1:3,me),invSubFp0)
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temp_33_3 = matmul(matmul(constitutive_mech_F(ph)%data(1:3,1:3,me),invFp), invSubFi0)
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do o=1,3; do p=1,3
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rhs_3333(p,o,1:3,1:3) = matmul(dSdFe(p,o,1:3,1:3),temp_33_1)
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temp_3333(1:3,1:3,p,o) = matmul(matmul(temp_33_2,dLpdS(1:3,1:3,p,o)), invFi) &
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+ matmul(temp_33_3,dLidS(1:3,1:3,p,o))
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enddo; enddo
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lhs_3333 = math_mul3333xx3333(dSdFe,temp_3333) * dt &
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+ math_mul3333xx3333(dSdFi,dFidS)
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call math_invert(temp_99,error,math_eye(9)+math_3333to99(lhs_3333))
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if (error) then
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call IO_warning(warning_ID=600,el=el,ip=ip,g=co, &
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ext_msg='inversion error in analytic tangent calculation')
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dSdF = rhs_3333
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else
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dSdF = math_mul3333xx3333(math_99to3333(temp_99),rhs_3333)
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endif
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!--------------------------------------------------------------------------------------------------
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! calculate dFpinvdF
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temp_3333 = math_mul3333xx3333(dLpdS,dSdF)
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do o=1,3; do p=1,3
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dFpinvdF(1:3,1:3,p,o) = - matmul(invSubFp0, matmul(temp_3333(1:3,1:3,p,o),invFi)) * dt
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enddo; enddo
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!--------------------------------------------------------------------------------------------------
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! assemble dPdF
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temp_33_1 = matmul(constitutive_mech_S(ph)%data(1:3,1:3,me),transpose(invFp))
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temp_33_2 = matmul(constitutive_mech_F(ph)%data(1:3,1:3,me),invFp)
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temp_33_3 = matmul(temp_33_2,constitutive_mech_S(ph)%data(1:3,1:3,me))
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dPdF = 0.0_pReal
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do p=1,3
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dPdF(p,1:3,p,1:3) = transpose(matmul(invFp,temp_33_1))
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enddo
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do o=1,3; do p=1,3
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dPdF(1:3,1:3,p,o) = dPdF(1:3,1:3,p,o) &
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+ matmul(matmul(constitutive_mech_F(ph)%data(1:3,1:3,me),dFpinvdF(1:3,1:3,p,o)),temp_33_1) &
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+ matmul(matmul(temp_33_2,dSdF(1:3,1:3,p,o)),transpose(invFp)) &
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+ matmul(temp_33_3,transpose(dFpinvdF(1:3,1:3,p,o)))
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enddo; enddo
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end function crystallite_stressTangent
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!--------------------------------------------------------------------------------------------------
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!> @brief calculates orientations
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!--------------------------------------------------------------------------------------------------
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@ -1273,16 +1154,12 @@ end function converged
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!> @brief Write current restart information (Field and constitutive data) to file.
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! ToDo: Merge data into one file for MPI, move state to constitutive and homogenization, respectively
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!--------------------------------------------------------------------------------------------------
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subroutine crystallite_restartWrite
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subroutine constitutive_restartWrite(fileHandle)
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integer(HID_T), intent(in) :: fileHandle
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integer :: ph
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integer(HID_T) :: fileHandle, groupHandle
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character(len=pStringLen) :: fileName, datasetName
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print*, ' writing field and constitutive data required for restart to file';flush(IO_STDOUT)
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write(fileName,'(a,i0,a)') trim(getSolverJobName())//'_',worldrank,'.hdf5'
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fileHandle = HDF5_openFile(fileName,'a')
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integer(HID_T) :: groupHandle
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character(len=pStringLen) :: datasetName
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groupHandle = HDF5_addGroup(fileHandle,'phase')
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do ph = 1,size(material_name_phase)
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@ -1310,25 +1187,21 @@ subroutine crystallite_restartWrite
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enddo
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call HDF5_closeGroup(groupHandle)
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call HDF5_closeFile(fileHandle)
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end subroutine crystallite_restartWrite
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end subroutine constitutive_restartWrite
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!--------------------------------------------------------------------------------------------------
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!> @brief Read data for restart
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! ToDo: Merge data into one file for MPI, move state to constitutive and homogenization, respectively
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!--------------------------------------------------------------------------------------------------
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subroutine crystallite_restartRead
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subroutine constitutive_restartRead(fileHandle)
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integer(HID_T), intent(in) :: fileHandle
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integer :: ph
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integer(HID_T) :: fileHandle, groupHandle
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character(len=pStringLen) :: fileName, datasetName
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integer(HID_T) :: groupHandle
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character(len=pStringLen) ::datasetName
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print'(/,a,i0,a)', ' reading restart information of increment from file'
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write(fileName,'(a,i0,a)') trim(getSolverJobName())//'_',worldrank,'.hdf5'
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fileHandle = HDF5_openFile(fileName)
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groupHandle = HDF5_openGroup(fileHandle,'phase')
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do ph = 1,size(material_name_phase)
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@ -1356,9 +1229,7 @@ subroutine crystallite_restartRead
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enddo
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call HDF5_closeGroup(groupHandle)
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call HDF5_closeFile(fileHandle)
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end subroutine crystallite_restartRead
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end subroutine constitutive_restartRead
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! getter for non-mech (e.g. thermal)
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@ -1688,5 +1688,132 @@ module subroutine mech_restore(ip,el,includeL)
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end subroutine mech_restore
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!--------------------------------------------------------------------------------------------------
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!> @brief Calculate tangent (dPdF).
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!--------------------------------------------------------------------------------------------------
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module function constitutive_mech_dPdF(dt,co,ip,el) result(dPdF)
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real(pReal), intent(in) :: dt
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integer, intent(in) :: &
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co, & !< counter in constituent loop
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ip, & !< counter in integration point loop
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el !< counter in element loop
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real(pReal), dimension(3,3,3,3) :: dPdF
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integer :: &
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o, &
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p, ph, me
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real(pReal), dimension(3,3) :: devNull, &
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invSubFp0,invSubFi0,invFp,invFi, &
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temp_33_1, temp_33_2, temp_33_3
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real(pReal), dimension(3,3,3,3) :: dSdFe, &
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dSdF, &
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dSdFi, &
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dLidS, & ! tangent in lattice configuration
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dLidFi, &
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dLpdS, &
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dLpdFi, &
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dFidS, &
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dFpinvdF, &
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rhs_3333, &
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lhs_3333, &
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temp_3333
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real(pReal), dimension(9,9):: temp_99
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logical :: error
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ph = material_phaseAt(co,el)
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me = material_phaseMemberAt(co,ip,el)
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call constitutive_hooke_SandItsTangents(devNull,dSdFe,dSdFi, &
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constitutive_mech_Fe(ph)%data(1:3,1:3,me), &
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constitutive_mech_Fi(ph)%data(1:3,1:3,me),co,ip,el)
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call constitutive_LiAndItsTangents(devNull,dLidS,dLidFi, &
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constitutive_mech_S(ph)%data(1:3,1:3,me), &
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constitutive_mech_Fi(ph)%data(1:3,1:3,me), &
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co,ip,el)
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invFp = math_inv33(constitutive_mech_Fp(ph)%data(1:3,1:3,me))
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invFi = math_inv33(constitutive_mech_Fi(ph)%data(1:3,1:3,me))
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invSubFp0 = math_inv33(constitutive_mech_partitionedFp0(ph)%data(1:3,1:3,me))
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invSubFi0 = math_inv33(constitutive_mech_partitionedFi0(ph)%data(1:3,1:3,me))
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if (sum(abs(dLidS)) < tol_math_check) then
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dFidS = 0.0_pReal
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else
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lhs_3333 = 0.0_pReal; rhs_3333 = 0.0_pReal
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do o=1,3; do p=1,3
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lhs_3333(1:3,1:3,o,p) = lhs_3333(1:3,1:3,o,p) &
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+ matmul(invSubFi0,dLidFi(1:3,1:3,o,p)) * dt
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lhs_3333(1:3,o,1:3,p) = lhs_3333(1:3,o,1:3,p) &
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+ invFi*invFi(p,o)
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rhs_3333(1:3,1:3,o,p) = rhs_3333(1:3,1:3,o,p) &
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- matmul(invSubFi0,dLidS(1:3,1:3,o,p)) * dt
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enddo; enddo
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call math_invert(temp_99,error,math_3333to99(lhs_3333))
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if (error) then
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call IO_warning(warning_ID=600,el=el,ip=ip,g=co, &
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ext_msg='inversion error in analytic tangent calculation')
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dFidS = 0.0_pReal
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else
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dFidS = math_mul3333xx3333(math_99to3333(temp_99),rhs_3333)
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endif
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dLidS = math_mul3333xx3333(dLidFi,dFidS) + dLidS
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endif
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call constitutive_plastic_LpAndItsTangents(devNull,dLpdS,dLpdFi, &
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constitutive_mech_S(ph)%data(1:3,1:3,me), &
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constitutive_mech_Fi(ph)%data(1:3,1:3,me),co,ip,el)
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dLpdS = math_mul3333xx3333(dLpdFi,dFidS) + dLpdS
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!--------------------------------------------------------------------------------------------------
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! calculate dSdF
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temp_33_1 = transpose(matmul(invFp,invFi))
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temp_33_2 = matmul(constitutive_mech_F(ph)%data(1:3,1:3,me),invSubFp0)
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temp_33_3 = matmul(matmul(constitutive_mech_F(ph)%data(1:3,1:3,me),invFp), invSubFi0)
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do o=1,3; do p=1,3
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rhs_3333(p,o,1:3,1:3) = matmul(dSdFe(p,o,1:3,1:3),temp_33_1)
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temp_3333(1:3,1:3,p,o) = matmul(matmul(temp_33_2,dLpdS(1:3,1:3,p,o)), invFi) &
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+ matmul(temp_33_3,dLidS(1:3,1:3,p,o))
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enddo; enddo
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lhs_3333 = math_mul3333xx3333(dSdFe,temp_3333) * dt &
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+ math_mul3333xx3333(dSdFi,dFidS)
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call math_invert(temp_99,error,math_eye(9)+math_3333to99(lhs_3333))
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if (error) then
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call IO_warning(warning_ID=600,el=el,ip=ip,g=co, &
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ext_msg='inversion error in analytic tangent calculation')
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dSdF = rhs_3333
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else
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dSdF = math_mul3333xx3333(math_99to3333(temp_99),rhs_3333)
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endif
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!--------------------------------------------------------------------------------------------------
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! calculate dFpinvdF
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temp_3333 = math_mul3333xx3333(dLpdS,dSdF)
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do o=1,3; do p=1,3
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dFpinvdF(1:3,1:3,p,o) = - matmul(invSubFp0, matmul(temp_3333(1:3,1:3,p,o),invFi)) * dt
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enddo; enddo
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!--------------------------------------------------------------------------------------------------
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! assemble dPdF
|
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temp_33_1 = matmul(constitutive_mech_S(ph)%data(1:3,1:3,me),transpose(invFp))
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temp_33_2 = matmul(constitutive_mech_F(ph)%data(1:3,1:3,me),invFp)
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temp_33_3 = matmul(temp_33_2,constitutive_mech_S(ph)%data(1:3,1:3,me))
|
||||
|
||||
dPdF = 0.0_pReal
|
||||
do p=1,3
|
||||
dPdF(p,1:3,p,1:3) = transpose(matmul(invFp,temp_33_1))
|
||||
enddo
|
||||
do o=1,3; do p=1,3
|
||||
dPdF(1:3,1:3,p,o) = dPdF(1:3,1:3,p,o) &
|
||||
+ matmul(matmul(constitutive_mech_F(ph)%data(1:3,1:3,me),dFpinvdF(1:3,1:3,p,o)),temp_33_1) &
|
||||
+ matmul(matmul(temp_33_2,dSdF(1:3,1:3,p,o)),transpose(invFp)) &
|
||||
+ matmul(temp_33_3,transpose(dFpinvdF(1:3,1:3,p,o)))
|
||||
enddo; enddo
|
||||
|
||||
end function constitutive_mech_dPdF
|
||||
|
||||
end submodule constitutive_mech
|
||||
|
||||
|
|
|
|||
|
|
@ -156,11 +156,11 @@ module subroutine mech_homogenize(dt,ip,el)
|
|||
|
||||
case (HOMOGENIZATION_NONE_ID) chosenHomogenization
|
||||
homogenization_P(1:3,1:3,ce) = crystallite_P(1:3,1:3,1,ip,el)
|
||||
homogenization_dPdF(1:3,1:3,1:3,1:3,ce) = crystallite_stressTangent(dt,1,ip,el)
|
||||
homogenization_dPdF(1:3,1:3,1:3,1:3,ce) = constitutive_mech_dPdF(dt,1,ip,el)
|
||||
|
||||
case (HOMOGENIZATION_ISOSTRAIN_ID) chosenHomogenization
|
||||
do co = 1, homogenization_Nconstituents(material_homogenizationAt(el))
|
||||
dPdFs(:,:,:,:,co) = crystallite_stressTangent(dt,co,ip,el)
|
||||
dPdFs(:,:,:,:,co) = constitutive_mech_dPdF(dt,co,ip,el)
|
||||
enddo
|
||||
call mech_isostrain_averageStressAndItsTangent(&
|
||||
homogenization_P(1:3,1:3,ce), &
|
||||
|
|
@ -171,7 +171,7 @@ module subroutine mech_homogenize(dt,ip,el)
|
|||
|
||||
case (HOMOGENIZATION_RGC_ID) chosenHomogenization
|
||||
do co = 1, homogenization_Nconstituents(material_homogenizationAt(el))
|
||||
dPdFs(:,:,:,:,co) = crystallite_stressTangent(dt,co,ip,el)
|
||||
dPdFs(:,:,:,:,co) = constitutive_mech_dPdF(dt,co,ip,el)
|
||||
enddo
|
||||
call mech_RGC_averageStressAndItsTangent(&
|
||||
homogenization_P(1:3,1:3,ce), &
|
||||
|
|
@ -207,7 +207,7 @@ module function mech_updateState(subdt,subF,ip,el) result(doneAndHappy)
|
|||
|
||||
if (homogenization_type(material_homogenizationAt(el)) == HOMOGENIZATION_RGC_ID) then
|
||||
do co = 1, homogenization_Nconstituents(material_homogenizationAt(el))
|
||||
dPdFs(:,:,:,:,co) = crystallite_stressTangent(subdt,co,ip,el)
|
||||
dPdFs(:,:,:,:,co) = constitutive_mech_dPdF(subdt,co,ip,el)
|
||||
Fs(:,:,co) = constitutive_mech_getF(co,ip,el)
|
||||
enddo
|
||||
doneAndHappy = &
|
||||
|
|
|
|||
Loading…
Reference in New Issue