diff --git a/code/constitutive_dislotwin.f90 b/code/constitutive_dislotwin.f90 index 37214ba57..f30bb8515 100644 --- a/code/constitutive_dislotwin.f90 +++ b/code/constitutive_dislotwin.f90 @@ -151,14 +151,14 @@ use prec, only: & public :: & - constitutive_dislotwin_init, & - constitutive_dislotwin_stateInit, & + constitutive_dislotwin_init, & + constitutive_dislotwin_stateInit, & constitutive_dislotwin_aTolState, & - constitutive_dislotwin_homogenizedC, & + constitutive_dislotwin_homogenizedC, & constitutive_dislotwin_microstructure, & - constitutive_dislotwin_LpAndItsTangent, & - constitutive_dislotwin_dotState, & - constitutive_dislotwin_deltaState, & + constitutive_dislotwin_LpAndItsTangent, & + constitutive_dislotwin_dotState, & + constitutive_dislotwin_deltaState, & constitutive_dislotwin_postResults contains @@ -172,8 +172,8 @@ subroutine constitutive_dislotwin_init(file) use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) use debug, only: & debug_level,& - debug_constitutive,& - debug_levelBasic + debug_constitutive,& + debug_levelBasic use math, only: & math_Mandel3333to66, & math_Voigt66to3333, & @@ -192,13 +192,13 @@ subroutine constitutive_dislotwin_init(file) integer(pInt), dimension(1+2*MAXNCHUNKS) :: positions integer(pInt), dimension(7) :: configNchunks integer(pInt) :: section = 0_pInt, maxNinstance,mySize=0_pInt,structID,maxTotalNslip,maxTotalNtwin,& - f,i,j,k,l,m,n,o,p,q,r,s,ns,nt, & - Nchunks_SlipSlip, Nchunks_SlipTwin, Nchunks_TwinSlip, Nchunks_TwinTwin, & - Nchunks_SlipFamilies, Nchunks_TwinFamilies, & - index_myFamily, index_otherFamily + f,i,j,k,l,m,n,o,p,q,r,s,ns,nt, & + Nchunks_SlipSlip, Nchunks_SlipTwin, Nchunks_TwinSlip, Nchunks_TwinTwin, & + Nchunks_SlipFamilies, Nchunks_TwinFamilies, & + index_myFamily, index_otherFamily character(len=65536) :: tag character(len=65536) :: line = '' ! to start initialized - + write(6,'(/,a)') ' <<<+- constitutive_'//CONSTITUTIVE_DISLOTWIN_label//' init -+>>>' write(6,'(a)') ' $Id$' write(6,'(a15,a)') ' Current time: ',IO_timeStamp() @@ -219,112 +219,112 @@ subroutine constitutive_dislotwin_init(file) !* Space allocation for global variables allocate(constitutive_dislotwin_sizeDotState(maxNinstance)) - constitutive_dislotwin_sizeDotState = 0_pInt + constitutive_dislotwin_sizeDotState = 0_pInt allocate(constitutive_dislotwin_sizeState(maxNinstance)) - constitutive_dislotwin_sizeState = 0_pInt + constitutive_dislotwin_sizeState = 0_pInt allocate(constitutive_dislotwin_sizePostResults(maxNinstance)) - constitutive_dislotwin_sizePostResults = 0_pInt + constitutive_dislotwin_sizePostResults = 0_pInt allocate(constitutive_dislotwin_sizePostResult(maxval(phase_Noutput),maxNinstance)) - constitutive_dislotwin_sizePostResult = 0_pInt + constitutive_dislotwin_sizePostResult = 0_pInt allocate(constitutive_dislotwin_output(maxval(phase_Noutput),maxNinstance)) - constitutive_dislotwin_output = '' + constitutive_dislotwin_output = '' allocate(constitutive_dislotwin_Noutput(maxNinstance)) - constitutive_dislotwin_Noutput = 0_pInt + constitutive_dislotwin_Noutput = 0_pInt allocate(constitutive_dislotwin_structureName(maxNinstance)) - constitutive_dislotwin_structureName = '' + constitutive_dislotwin_structureName = '' allocate(constitutive_dislotwin_structure(maxNinstance)) - constitutive_dislotwin_structure = 0_pInt + constitutive_dislotwin_structure = 0_pInt allocate(constitutive_dislotwin_Nslip(lattice_maxNslipFamily,maxNinstance)) - constitutive_dislotwin_Nslip = 0_pInt + constitutive_dislotwin_Nslip = 0_pInt allocate(constitutive_dislotwin_Ntwin(lattice_maxNtwinFamily,maxNinstance)) - constitutive_dislotwin_Ntwin = 0_pInt + constitutive_dislotwin_Ntwin = 0_pInt allocate(constitutive_dislotwin_totalNslip(maxNinstance)) - constitutive_dislotwin_totalNslip = 0_pInt + constitutive_dislotwin_totalNslip = 0_pInt allocate(constitutive_dislotwin_totalNtwin(maxNinstance)) - constitutive_dislotwin_totalNtwin = 0_pInt + constitutive_dislotwin_totalNtwin = 0_pInt allocate(constitutive_dislotwin_CoverA(maxNinstance)) - constitutive_dislotwin_CoverA = 0.0_pReal + constitutive_dislotwin_CoverA = 0.0_pReal allocate(constitutive_dislotwin_Gmod(maxNinstance)) - constitutive_dislotwin_Gmod = 0.0_pReal + constitutive_dislotwin_Gmod = 0.0_pReal allocate(constitutive_dislotwin_nu(maxNinstance)) - constitutive_dislotwin_nu = 0.0_pReal + constitutive_dislotwin_nu = 0.0_pReal allocate(constitutive_dislotwin_CAtomicVolume(maxNinstance)) - constitutive_dislotwin_CAtomicVolume = 0.0_pReal + constitutive_dislotwin_CAtomicVolume = 0.0_pReal allocate(constitutive_dislotwin_D0(maxNinstance)) - constitutive_dislotwin_D0 = 0.0_pReal + constitutive_dislotwin_D0 = 0.0_pReal allocate(constitutive_dislotwin_Qsd(maxNinstance)) - constitutive_dislotwin_Qsd = 0.0_pReal + constitutive_dislotwin_Qsd = 0.0_pReal allocate(constitutive_dislotwin_GrainSize(maxNinstance)) - constitutive_dislotwin_GrainSize = 0.0_pReal + constitutive_dislotwin_GrainSize = 0.0_pReal allocate(constitutive_dislotwin_p(maxNinstance)) - constitutive_dislotwin_p = 0.0_pReal + constitutive_dislotwin_p = 0.0_pReal allocate(constitutive_dislotwin_q(maxNinstance)) - constitutive_dislotwin_q = 0.0_pReal + constitutive_dislotwin_q = 0.0_pReal allocate(constitutive_dislotwin_MaxTwinFraction(maxNinstance)) - constitutive_dislotwin_MaxTwinFraction = 0.0_pReal + constitutive_dislotwin_MaxTwinFraction = 0.0_pReal allocate(constitutive_dislotwin_r(maxNinstance)) - constitutive_dislotwin_r = 0.0_pReal + constitutive_dislotwin_r = 0.0_pReal allocate(constitutive_dislotwin_CEdgeDipMinDistance(maxNinstance)) - constitutive_dislotwin_CEdgeDipMinDistance = 0.0_pReal + constitutive_dislotwin_CEdgeDipMinDistance = 0.0_pReal allocate(constitutive_dislotwin_Cmfptwin(maxNinstance)) - constitutive_dislotwin_Cmfptwin = 0.0_pReal + constitutive_dislotwin_Cmfptwin = 0.0_pReal allocate(constitutive_dislotwin_Cthresholdtwin(maxNinstance)) - constitutive_dislotwin_Cthresholdtwin = 0.0_pReal + constitutive_dislotwin_Cthresholdtwin = 0.0_pReal allocate(constitutive_dislotwin_SolidSolutionStrength(maxNinstance)) - constitutive_dislotwin_SolidSolutionStrength = 0.0_pReal + constitutive_dislotwin_SolidSolutionStrength = 0.0_pReal allocate(constitutive_dislotwin_L0(maxNinstance)) - constitutive_dislotwin_L0 = 0.0_pReal + constitutive_dislotwin_L0 = 0.0_pReal allocate(constitutive_dislotwin_xc(maxNinstance)) - constitutive_dislotwin_xc = 0.0_pReal + constitutive_dislotwin_xc = 0.0_pReal allocate(constitutive_dislotwin_VcrossSlip(maxNinstance)) - constitutive_dislotwin_VcrossSlip = 0.0_pReal + constitutive_dislotwin_VcrossSlip = 0.0_pReal allocate(constitutive_dislotwin_aTolRho(maxNinstance)) - constitutive_dislotwin_aTolRho = 0.0_pReal + constitutive_dislotwin_aTolRho = 0.0_pReal allocate(constitutive_dislotwin_aTolTwinFrac(maxNinstance)) - constitutive_dislotwin_aTolTwinFrac = 0.0_pReal + constitutive_dislotwin_aTolTwinFrac = 0.0_pReal allocate(constitutive_dislotwin_Cslip_66(6,6,maxNinstance)) - constitutive_dislotwin_Cslip_66 = 0.0_pReal + constitutive_dislotwin_Cslip_66 = 0.0_pReal allocate(constitutive_dislotwin_Cslip_3333(3,3,3,3,maxNinstance)) - constitutive_dislotwin_Cslip_3333 = 0.0_pReal + constitutive_dislotwin_Cslip_3333 = 0.0_pReal allocate(constitutive_dislotwin_sbResistance(maxNinstance)) - constitutive_dislotwin_sbResistance = 0.0_pReal + constitutive_dislotwin_sbResistance = 0.0_pReal allocate(constitutive_dislotwin_sbVelocity(maxNinstance)) - constitutive_dislotwin_sbVelocity = 0.0_pReal + constitutive_dislotwin_sbVelocity = 0.0_pReal allocate(constitutive_dislotwin_sbQedge(maxNinstance)) - constitutive_dislotwin_sbQedge = 0.0_pReal + constitutive_dislotwin_sbQedge = 0.0_pReal allocate(constitutive_dislotwin_SFE_0K(maxNinstance)) - constitutive_dislotwin_SFE_0K = 0.0_pReal + constitutive_dislotwin_SFE_0K = 0.0_pReal allocate(constitutive_dislotwin_dSFE_dT(maxNinstance)) - constitutive_dislotwin_dSFE_dT = 0.0_pReal + constitutive_dislotwin_dSFE_dT = 0.0_pReal allocate(constitutive_dislotwin_rhoEdge0(lattice_maxNslipFamily,maxNinstance)) - constitutive_dislotwin_rhoEdge0 = 0.0_pReal + constitutive_dislotwin_rhoEdge0 = 0.0_pReal allocate(constitutive_dislotwin_rhoEdgeDip0(lattice_maxNslipFamily,maxNinstance)) - constitutive_dislotwin_rhoEdgeDip0 = 0.0_pReal + constitutive_dislotwin_rhoEdgeDip0 = 0.0_pReal allocate(constitutive_dislotwin_burgersPerSlipFamily(lattice_maxNslipFamily,maxNinstance)) - constitutive_dislotwin_burgersPerSlipFamily = 0.0_pReal + constitutive_dislotwin_burgersPerSlipFamily = 0.0_pReal allocate(constitutive_dislotwin_burgersPerTwinFamily(lattice_maxNtwinFamily,maxNinstance)) - constitutive_dislotwin_burgersPerTwinFamily = 0.0_pReal + constitutive_dislotwin_burgersPerTwinFamily = 0.0_pReal allocate(constitutive_dislotwin_QedgePerSlipFamily(lattice_maxNslipFamily,maxNinstance)) - constitutive_dislotwin_QedgePerSlipFamily = 0.0_pReal + constitutive_dislotwin_QedgePerSlipFamily = 0.0_pReal allocate(constitutive_dislotwin_v0PerSlipFamily(lattice_maxNslipFamily,maxNinstance)) - constitutive_dislotwin_v0PerSlipFamily = 0.0_pReal + constitutive_dislotwin_v0PerSlipFamily = 0.0_pReal allocate(constitutive_dislotwin_Ndot0PerTwinFamily(lattice_maxNtwinFamily,maxNinstance)) - constitutive_dislotwin_Ndot0PerTwinFamily = 0.0_pReal + constitutive_dislotwin_Ndot0PerTwinFamily = 0.0_pReal allocate(constitutive_dislotwin_twinsizePerTwinFamily(lattice_maxNtwinFamily,maxNinstance)) - constitutive_dislotwin_twinsizePerTwinFamily = 0.0_pReal + constitutive_dislotwin_twinsizePerTwinFamily = 0.0_pReal allocate(constitutive_dislotwin_CLambdaSlipPerSlipFamily(lattice_maxNslipFamily,maxNinstance)) - constitutive_dislotwin_CLambdaSlipPerSlipFamily = 0.0_pReal + constitutive_dislotwin_CLambdaSlipPerSlipFamily = 0.0_pReal allocate(constitutive_dislotwin_interaction_SlipSlip(lattice_maxNinteraction,maxNinstance)) - constitutive_dislotwin_interaction_SlipSlip = 0.0_pReal + constitutive_dislotwin_interaction_SlipSlip = 0.0_pReal allocate(constitutive_dislotwin_interaction_SlipTwin(lattice_maxNinteraction,maxNinstance)) - constitutive_dislotwin_interaction_SlipTwin = 0.0_pReal + constitutive_dislotwin_interaction_SlipTwin = 0.0_pReal allocate(constitutive_dislotwin_interaction_TwinSlip(lattice_maxNinteraction,maxNinstance)) - constitutive_dislotwin_interaction_TwinSlip = 0.0_pReal + constitutive_dislotwin_interaction_TwinSlip = 0.0_pReal allocate(constitutive_dislotwin_interaction_TwinTwin(lattice_maxNinteraction,maxNinstance)) - constitutive_dislotwin_interaction_TwinTwin = 0.0_pReal + constitutive_dislotwin_interaction_TwinTwin = 0.0_pReal allocate(constitutive_dislotwin_sbSv(6,6,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems)) - constitutive_dislotwin_sbSv = 0.0_pReal + constitutive_dislotwin_sbSv = 0.0_pReal !* Readout data from material.config file rewind(file) @@ -343,222 +343,222 @@ subroutine constitutive_dislotwin_init(file) endif if (section > 0_pInt ) then ! do not short-circuit here (.and. with next if statemen). It's not safe in Fortran if (trim(phase_plasticity(section)) == CONSTITUTIVE_DISLOTWIN_label) then ! one of my sections - i = phase_plasticityInstance(section) ! which instance of my plasticity is present phase - positions = IO_stringPos(line,MAXNCHUNKS) - tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key - select case(tag) - case ('plasticity', 'elasticity') - cycle - case ('(output)') - constitutive_dislotwin_Noutput(i) = constitutive_dislotwin_Noutput(i) + 1_pInt - constitutive_dislotwin_output(constitutive_dislotwin_Noutput(i),i) = IO_lc(IO_stringValue(line,positions,2_pInt)) - case ('lattice_structure') - constitutive_dislotwin_structureName(i) = IO_lc(IO_stringValue(line,positions,2_pInt)) - configNchunks = lattice_configNchunks(constitutive_dislotwin_structureName(i)) - Nchunks_SlipFamilies = configNchunks(1) - Nchunks_TwinFamilies = configNchunks(2) - Nchunks_SlipSlip = configNchunks(3) - Nchunks_SlipTwin = configNchunks(4) - Nchunks_TwinSlip = configNchunks(5) - Nchunks_TwinTwin = configNchunks(6) - case ('covera_ratio') - constitutive_dislotwin_CoverA(i) = IO_floatValue(line,positions,2_pInt) - case ('c11') - constitutive_dislotwin_Cslip_66(1,1,i) = IO_floatValue(line,positions,2_pInt) - case ('c12') - constitutive_dislotwin_Cslip_66(1,2,i) = IO_floatValue(line,positions,2_pInt) - case ('c13') - constitutive_dislotwin_Cslip_66(1,3,i) = IO_floatValue(line,positions,2_pInt) - case ('c22') - constitutive_dislotwin_Cslip_66(2,2,i) = IO_floatValue(line,positions,2_pInt) - case ('c23') - constitutive_dislotwin_Cslip_66(2,3,i) = IO_floatValue(line,positions,2_pInt) - case ('c33') - constitutive_dislotwin_Cslip_66(3,3,i) = IO_floatValue(line,positions,2_pInt) - case ('c44') - constitutive_dislotwin_Cslip_66(4,4,i) = IO_floatValue(line,positions,2_pInt) - case ('c55') - constitutive_dislotwin_Cslip_66(5,5,i) = IO_floatValue(line,positions,2_pInt) - case ('c66') - constitutive_dislotwin_Cslip_66(6,6,i) = IO_floatValue(line,positions,2_pInt) - case ('nslip') + i = phase_plasticityInstance(section) ! which instance of my plasticity is present phase + positions = IO_stringPos(line,MAXNCHUNKS) + tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key + select case(tag) + case ('plasticity', 'elasticity') + cycle + case ('(output)') + constitutive_dislotwin_Noutput(i) = constitutive_dislotwin_Noutput(i) + 1_pInt + constitutive_dislotwin_output(constitutive_dislotwin_Noutput(i),i) = IO_lc(IO_stringValue(line,positions,2_pInt)) + case ('lattice_structure') + constitutive_dislotwin_structureName(i) = IO_lc(IO_stringValue(line,positions,2_pInt)) + configNchunks = lattice_configNchunks(constitutive_dislotwin_structureName(i)) + Nchunks_SlipFamilies = configNchunks(1) + Nchunks_TwinFamilies = configNchunks(2) + Nchunks_SlipSlip = configNchunks(3) + Nchunks_SlipTwin = configNchunks(4) + Nchunks_TwinSlip = configNchunks(5) + Nchunks_TwinTwin = configNchunks(6) + case ('covera_ratio') + constitutive_dislotwin_CoverA(i) = IO_floatValue(line,positions,2_pInt) + case ('c11') + constitutive_dislotwin_Cslip_66(1,1,i) = IO_floatValue(line,positions,2_pInt) + case ('c12') + constitutive_dislotwin_Cslip_66(1,2,i) = IO_floatValue(line,positions,2_pInt) + case ('c13') + constitutive_dislotwin_Cslip_66(1,3,i) = IO_floatValue(line,positions,2_pInt) + case ('c22') + constitutive_dislotwin_Cslip_66(2,2,i) = IO_floatValue(line,positions,2_pInt) + case ('c23') + constitutive_dislotwin_Cslip_66(2,3,i) = IO_floatValue(line,positions,2_pInt) + case ('c33') + constitutive_dislotwin_Cslip_66(3,3,i) = IO_floatValue(line,positions,2_pInt) + case ('c44') + constitutive_dislotwin_Cslip_66(4,4,i) = IO_floatValue(line,positions,2_pInt) + case ('c55') + constitutive_dislotwin_Cslip_66(5,5,i) = IO_floatValue(line,positions,2_pInt) + case ('c66') + constitutive_dislotwin_Cslip_66(6,6,i) = IO_floatValue(line,positions,2_pInt) + case ('nslip') if (positions(1) < 1_pInt + Nchunks_SlipFamilies) & call IO_warning(50_pInt,ext_msg=trim(tag)//' ('//CONSTITUTIVE_DISLOTWIN_label//')') - Nchunks_SlipFamilies = positions(1) - 1_pInt - do j = 1_pInt, Nchunks_SlipFamilies - constitutive_dislotwin_Nslip(j,i) = IO_intValue(line,positions,1_pInt+j) - enddo - case ('ntwin') + Nchunks_SlipFamilies = positions(1) - 1_pInt + do j = 1_pInt, Nchunks_SlipFamilies + constitutive_dislotwin_Nslip(j,i) = IO_intValue(line,positions,1_pInt+j) + enddo + case ('ntwin') if (positions(1) < 1_pInt + Nchunks_TwinFamilies) & call IO_warning(51_pInt,ext_msg=trim(tag)//' ('//CONSTITUTIVE_DISLOTWIN_label//')') - Nchunks_TwinFamilies = positions(1) - 1_pInt - do j = 1_pInt, Nchunks_TwinFamilies - constitutive_dislotwin_Ntwin(j,i) = IO_intValue(line,positions,1_pInt+j) - enddo - case ('rhoedge0') - do j = 1_pInt, Nchunks_SlipFamilies - constitutive_dislotwin_rhoEdge0(j,i) = IO_floatValue(line,positions,1_pInt+j) - enddo - case ('rhoedgedip0') - do j = 1_pInt, Nchunks_SlipFamilies - constitutive_dislotwin_rhoEdgeDip0(j,i) = IO_floatValue(line,positions,1_pInt+j) - enddo - case ('slipburgers') - do j = 1_pInt, Nchunks_SlipFamilies - constitutive_dislotwin_burgersPerSlipFamily(j,i) = IO_floatValue(line,positions,1_pInt+j) - enddo - case ('twinburgers') - do j = 1_pInt, Nchunks_TwinFamilies - constitutive_dislotwin_burgersPerTwinFamily(j,i) = IO_floatValue(line,positions,1_pInt+j) - enddo - case ('qedge') - do j = 1_pInt, Nchunks_SlipFamilies - constitutive_dislotwin_QedgePerSlipFamily(j,i) = IO_floatValue(line,positions,1_pInt+j) - enddo - case ('v0') - do j = 1_pInt, Nchunks_SlipFamilies - constitutive_dislotwin_v0PerSlipFamily(j,i) = IO_floatValue(line,positions,1_pInt+j) - enddo - case ('ndot0') - do j = 1_pInt, Nchunks_TwinFamilies - constitutive_dislotwin_Ndot0PerTwinFamily(j,i) = IO_floatValue(line,positions,1_pInt+j) - enddo - case ('twinsize') - do j = 1_pInt, Nchunks_TwinFamilies - constitutive_dislotwin_twinsizePerTwinFamily(j,i) = IO_floatValue(line,positions,1_pInt+j) - enddo - case ('clambdaslip') - do j = 1_pInt, Nchunks_SlipFamilies - constitutive_dislotwin_CLambdaSlipPerSlipFamily(j,i) = IO_floatValue(line,positions,1_pInt+j) - enddo - case ('grainsize') - constitutive_dislotwin_GrainSize(i) = IO_floatValue(line,positions,2_pInt) - case ('maxtwinfraction') - constitutive_dislotwin_MaxTwinFraction(i) = IO_floatValue(line,positions,2_pInt) - case ('pexponent') - constitutive_dislotwin_p(i) = IO_floatValue(line,positions,2_pInt) - case ('qexponent') - constitutive_dislotwin_q(i) = IO_floatValue(line,positions,2_pInt) - case ('rexponent') - constitutive_dislotwin_r(i) = IO_floatValue(line,positions,2_pInt) - case ('d0') - constitutive_dislotwin_D0(i) = IO_floatValue(line,positions,2_pInt) - case ('qsd') - constitutive_dislotwin_Qsd(i) = IO_floatValue(line,positions,2_pInt) - case ('atol_rho') - constitutive_dislotwin_aTolRho(i) = IO_floatValue(line,positions,2_pInt) - case ('atol_twinfrac') - constitutive_dislotwin_aTolTwinFrac(i) = IO_floatValue(line,positions,2_pInt) - case ('cmfptwin') - constitutive_dislotwin_Cmfptwin(i) = IO_floatValue(line,positions,2_pInt) - case ('cthresholdtwin') - constitutive_dislotwin_Cthresholdtwin(i) = IO_floatValue(line,positions,2_pInt) - case ('solidsolutionstrength') - constitutive_dislotwin_SolidSolutionStrength(i) = IO_floatValue(line,positions,2_pInt) - case ('l0') - constitutive_dislotwin_L0(i) = IO_floatValue(line,positions,2_pInt) - case ('xc') - constitutive_dislotwin_xc(i) = IO_floatValue(line,positions,2_pInt) - case ('vcrossslip') - constitutive_dislotwin_VcrossSlip(i) = IO_floatValue(line,positions,2_pInt) - case ('cedgedipmindistance') - constitutive_dislotwin_CEdgeDipMinDistance(i) = IO_floatValue(line,positions,2_pInt) - case ('catomicvolume') - constitutive_dislotwin_CAtomicVolume(i) = IO_floatValue(line,positions,2_pInt) - case ('interaction_slipslip','interactionslipslip') + Nchunks_TwinFamilies = positions(1) - 1_pInt + do j = 1_pInt, Nchunks_TwinFamilies + constitutive_dislotwin_Ntwin(j,i) = IO_intValue(line,positions,1_pInt+j) + enddo + case ('rhoedge0') + do j = 1_pInt, Nchunks_SlipFamilies + constitutive_dislotwin_rhoEdge0(j,i) = IO_floatValue(line,positions,1_pInt+j) + enddo + case ('rhoedgedip0') + do j = 1_pInt, Nchunks_SlipFamilies + constitutive_dislotwin_rhoEdgeDip0(j,i) = IO_floatValue(line,positions,1_pInt+j) + enddo + case ('slipburgers') + do j = 1_pInt, Nchunks_SlipFamilies + constitutive_dislotwin_burgersPerSlipFamily(j,i) = IO_floatValue(line,positions,1_pInt+j) + enddo + case ('twinburgers') + do j = 1_pInt, Nchunks_TwinFamilies + constitutive_dislotwin_burgersPerTwinFamily(j,i) = IO_floatValue(line,positions,1_pInt+j) + enddo + case ('qedge') + do j = 1_pInt, Nchunks_SlipFamilies + constitutive_dislotwin_QedgePerSlipFamily(j,i) = IO_floatValue(line,positions,1_pInt+j) + enddo + case ('v0') + do j = 1_pInt, Nchunks_SlipFamilies + constitutive_dislotwin_v0PerSlipFamily(j,i) = IO_floatValue(line,positions,1_pInt+j) + enddo + case ('ndot0') + do j = 1_pInt, Nchunks_TwinFamilies + constitutive_dislotwin_Ndot0PerTwinFamily(j,i) = IO_floatValue(line,positions,1_pInt+j) + enddo + case ('twinsize') + do j = 1_pInt, Nchunks_TwinFamilies + constitutive_dislotwin_twinsizePerTwinFamily(j,i) = IO_floatValue(line,positions,1_pInt+j) + enddo + case ('clambdaslip') + do j = 1_pInt, Nchunks_SlipFamilies + constitutive_dislotwin_CLambdaSlipPerSlipFamily(j,i) = IO_floatValue(line,positions,1_pInt+j) + enddo + case ('grainsize') + constitutive_dislotwin_GrainSize(i) = IO_floatValue(line,positions,2_pInt) + case ('maxtwinfraction') + constitutive_dislotwin_MaxTwinFraction(i) = IO_floatValue(line,positions,2_pInt) + case ('pexponent') + constitutive_dislotwin_p(i) = IO_floatValue(line,positions,2_pInt) + case ('qexponent') + constitutive_dislotwin_q(i) = IO_floatValue(line,positions,2_pInt) + case ('rexponent') + constitutive_dislotwin_r(i) = IO_floatValue(line,positions,2_pInt) + case ('d0') + constitutive_dislotwin_D0(i) = IO_floatValue(line,positions,2_pInt) + case ('qsd') + constitutive_dislotwin_Qsd(i) = IO_floatValue(line,positions,2_pInt) + case ('atol_rho') + constitutive_dislotwin_aTolRho(i) = IO_floatValue(line,positions,2_pInt) + case ('atol_twinfrac') + constitutive_dislotwin_aTolTwinFrac(i) = IO_floatValue(line,positions,2_pInt) + case ('cmfptwin') + constitutive_dislotwin_Cmfptwin(i) = IO_floatValue(line,positions,2_pInt) + case ('cthresholdtwin') + constitutive_dislotwin_Cthresholdtwin(i) = IO_floatValue(line,positions,2_pInt) + case ('solidsolutionstrength') + constitutive_dislotwin_SolidSolutionStrength(i) = IO_floatValue(line,positions,2_pInt) + case ('l0') + constitutive_dislotwin_L0(i) = IO_floatValue(line,positions,2_pInt) + case ('xc') + constitutive_dislotwin_xc(i) = IO_floatValue(line,positions,2_pInt) + case ('vcrossslip') + constitutive_dislotwin_VcrossSlip(i) = IO_floatValue(line,positions,2_pInt) + case ('cedgedipmindistance') + constitutive_dislotwin_CEdgeDipMinDistance(i) = IO_floatValue(line,positions,2_pInt) + case ('catomicvolume') + constitutive_dislotwin_CAtomicVolume(i) = IO_floatValue(line,positions,2_pInt) + case ('interaction_slipslip','interactionslipslip') if (positions(1) < 1_pInt + Nchunks_SlipSlip) & call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//CONSTITUTIVE_DISLOTWIN_label//')') - do j = 1_pInt, Nchunks_SlipSlip - constitutive_dislotwin_interaction_SlipSlip(j,i) = IO_floatValue(line,positions,1_pInt+j) - enddo - case ('interaction_sliptwin','interactionsliptwin') + do j = 1_pInt, Nchunks_SlipSlip + constitutive_dislotwin_interaction_SlipSlip(j,i) = IO_floatValue(line,positions,1_pInt+j) + enddo + case ('interaction_sliptwin','interactionsliptwin') if (positions(1) < 1_pInt + Nchunks_SlipTwin) & call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//CONSTITUTIVE_DISLOTWIN_label//')') - do j = 1_pInt, Nchunks_SlipTwin - constitutive_dislotwin_interaction_SlipTwin(j,i) = IO_floatValue(line,positions,1_pInt+j) - enddo - case ('interaction_twinslip','interactiontwinslip') + do j = 1_pInt, Nchunks_SlipTwin + constitutive_dislotwin_interaction_SlipTwin(j,i) = IO_floatValue(line,positions,1_pInt+j) + enddo + case ('interaction_twinslip','interactiontwinslip') if (positions(1) < 1_pInt + Nchunks_TwinSlip) & call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//CONSTITUTIVE_DISLOTWIN_label//')') - do j = 1_pInt, Nchunks_TwinSlip - constitutive_dislotwin_interaction_TwinSlip(j,i) = IO_floatValue(line,positions,1_pInt+j) - enddo - case ('interaction_twintwin','interactiontwintwin') + do j = 1_pInt, Nchunks_TwinSlip + constitutive_dislotwin_interaction_TwinSlip(j,i) = IO_floatValue(line,positions,1_pInt+j) + enddo + case ('interaction_twintwin','interactiontwintwin') if (positions(1) < 1_pInt + Nchunks_TwinTwin) & call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//CONSTITUTIVE_DISLOTWIN_label//')') - do j = 1_pInt, Nchunks_TwinTwin - constitutive_dislotwin_interaction_TwinTwin(j,i) = IO_floatValue(line,positions,1_pInt+j) - enddo - case ('sfe_0k') - constitutive_dislotwin_SFE_0K(i) = IO_floatValue(line,positions,2_pInt) - case ('dsfe_dt') - constitutive_dislotwin_dSFE_dT(i) = IO_floatValue(line,positions,2_pInt) - case ('shearbandresistance') - constitutive_dislotwin_sbResistance(i) = IO_floatValue(line,positions,2_pInt) - case ('shearbandvelocity') - constitutive_dislotwin_sbVelocity(i) = IO_floatValue(line,positions,2_pInt) - case ('qedgepersbsystem') - constitutive_dislotwin_sbQedge(i) = IO_floatValue(line,positions,2_pInt) - case default + do j = 1_pInt, Nchunks_TwinTwin + constitutive_dislotwin_interaction_TwinTwin(j,i) = IO_floatValue(line,positions,1_pInt+j) + enddo + case ('sfe_0k') + constitutive_dislotwin_SFE_0K(i) = IO_floatValue(line,positions,2_pInt) + case ('dsfe_dt') + constitutive_dislotwin_dSFE_dT(i) = IO_floatValue(line,positions,2_pInt) + case ('shearbandresistance') + constitutive_dislotwin_sbResistance(i) = IO_floatValue(line,positions,2_pInt) + case ('shearbandvelocity') + constitutive_dislotwin_sbVelocity(i) = IO_floatValue(line,positions,2_pInt) + case ('qedgepersbsystem') + constitutive_dislotwin_sbQedge(i) = IO_floatValue(line,positions,2_pInt) + case default call IO_error(210_pInt,ext_msg=trim(tag)//' ('//CONSTITUTIVE_DISLOTWIN_label//')') - end select - endif + end select + endif endif enddo sanityChecks: do i = 1_pInt,maxNinstance - constitutive_dislotwin_structure(i) = & - lattice_initializeStructure(constitutive_dislotwin_structureName(i),constitutive_dislotwin_CoverA(i)) + constitutive_dislotwin_structure(i) = & + lattice_initializeStructure(constitutive_dislotwin_structureName(i),constitutive_dislotwin_CoverA(i)) structID = constitutive_dislotwin_structure(i) if (structID < 1_pInt) call IO_error(205_pInt,el=i) - if (sum(constitutive_dislotwin_Nslip(:,i)) < 0_pInt) call IO_error(211_pInt,el=i,ext_msg='Nslip (' & + if (sum(constitutive_dislotwin_Nslip(:,i)) < 0_pInt) call IO_error(211_pInt,el=i,ext_msg='Nslip (' & //CONSTITUTIVE_DISLOTWIN_label//')') - if (sum(constitutive_dislotwin_Ntwin(:,i)) < 0_pInt) call IO_error(211_pInt,el=i,ext_msg='Ntwin (' & + if (sum(constitutive_dislotwin_Ntwin(:,i)) < 0_pInt) call IO_error(211_pInt,el=i,ext_msg='Ntwin (' & //CONSTITUTIVE_DISLOTWIN_label//')') - do f = 1_pInt,lattice_maxNslipFamily - if (constitutive_dislotwin_Nslip(f,i) > 0_pInt) then - if (constitutive_dislotwin_rhoEdge0(f,i) < 0.0_pReal) call IO_error(211_pInt,el=i,ext_msg='rhoEdge0 (' & + do f = 1_pInt,lattice_maxNslipFamily + if (constitutive_dislotwin_Nslip(f,i) > 0_pInt) then + if (constitutive_dislotwin_rhoEdge0(f,i) < 0.0_pReal) call IO_error(211_pInt,el=i,ext_msg='rhoEdge0 (' & //CONSTITUTIVE_DISLOTWIN_label//')') - if (constitutive_dislotwin_rhoEdgeDip0(f,i) < 0.0_pReal) call IO_error(211_pInt,el=i,ext_msg='rhoEdgeDip0 (' & + if (constitutive_dislotwin_rhoEdgeDip0(f,i) < 0.0_pReal) call IO_error(211_pInt,el=i,ext_msg='rhoEdgeDip0 (' & //CONSTITUTIVE_DISLOTWIN_label//')') - if (constitutive_dislotwin_burgersPerSlipFamily(f,i) <= 0.0_pReal) call IO_error(211_pInt,el=i,ext_msg='slipBurgers (' & + if (constitutive_dislotwin_burgersPerSlipFamily(f,i) <= 0.0_pReal) call IO_error(211_pInt,el=i,ext_msg='slipBurgers (' & //CONSTITUTIVE_DISLOTWIN_label//')') - if (constitutive_dislotwin_v0PerSlipFamily(f,i) <= 0.0_pReal) call IO_error(211_pInt,el=i,ext_msg='v0 (' & + if (constitutive_dislotwin_v0PerSlipFamily(f,i) <= 0.0_pReal) call IO_error(211_pInt,el=i,ext_msg='v0 (' & //CONSTITUTIVE_DISLOTWIN_label//')') - endif - enddo - do f = 1_pInt,lattice_maxNtwinFamily - if (constitutive_dislotwin_Ntwin(f,i) > 0_pInt) then - if (constitutive_dislotwin_burgersPerTwinFamily(f,i) <= 0.0_pReal) call IO_error(211_pInt,el=i,ext_msg='twinburgers (' & + endif + enddo + do f = 1_pInt,lattice_maxNtwinFamily + if (constitutive_dislotwin_Ntwin(f,i) > 0_pInt) then + if (constitutive_dislotwin_burgersPerTwinFamily(f,i) <= 0.0_pReal) call IO_error(211_pInt,el=i,ext_msg='twinburgers (' & //CONSTITUTIVE_DISLOTWIN_label//')') - if (constitutive_dislotwin_Ndot0PerTwinFamily(f,i) < 0.0_pReal) call IO_error(211_pInt,el=i,ext_msg='ndot0 (' & + if (constitutive_dislotwin_Ndot0PerTwinFamily(f,i) < 0.0_pReal) call IO_error(211_pInt,el=i,ext_msg='ndot0 (' & //CONSTITUTIVE_DISLOTWIN_label//')') - endif - enddo - if (constitutive_dislotwin_CAtomicVolume(i) <= 0.0_pReal) call IO_error(211_pInt,el=i,ext_msg='cAtomicVolume (' & + endif + enddo + if (constitutive_dislotwin_CAtomicVolume(i) <= 0.0_pReal) call IO_error(211_pInt,el=i,ext_msg='cAtomicVolume (' & //CONSTITUTIVE_DISLOTWIN_label//')') - if (constitutive_dislotwin_D0(i) <= 0.0_pReal) call IO_error(211_pInt,el=i,ext_msg='D0 (' & + if (constitutive_dislotwin_D0(i) <= 0.0_pReal) call IO_error(211_pInt,el=i,ext_msg='D0 (' & //CONSTITUTIVE_DISLOTWIN_label//')') - if (constitutive_dislotwin_Qsd(i) <= 0.0_pReal) call IO_error(211_pInt,el=i,ext_msg='Qsd (' & + if (constitutive_dislotwin_Qsd(i) <= 0.0_pReal) call IO_error(211_pInt,el=i,ext_msg='Qsd (' & //CONSTITUTIVE_DISLOTWIN_label//')') - if (constitutive_dislotwin_SFE_0K(i) == 0.0_pReal .and. & - constitutive_dislotwin_dSFE_dT(i) == 0.0_pReal) call IO_error(211_pInt,el=i,ext_msg='SFE (' & + if (constitutive_dislotwin_SFE_0K(i) == 0.0_pReal .and. & + constitutive_dislotwin_dSFE_dT(i) == 0.0_pReal) call IO_error(211_pInt,el=i,ext_msg='SFE (' & //CONSTITUTIVE_DISLOTWIN_label//')') - if (constitutive_dislotwin_aTolRho(i) <= 0.0_pReal) call IO_error(211_pInt,el=i,ext_msg='aTolRho (' & + if (constitutive_dislotwin_aTolRho(i) <= 0.0_pReal) call IO_error(211_pInt,el=i,ext_msg='aTolRho (' & //CONSTITUTIVE_DISLOTWIN_label//')') - if (constitutive_dislotwin_aTolTwinFrac(i) <= 0.0_pReal) call IO_error(211_pInt,el=i,ext_msg='aTolTwinFrac (' & + if (constitutive_dislotwin_aTolTwinFrac(i) <= 0.0_pReal) call IO_error(211_pInt,el=i,ext_msg='aTolTwinFrac (' & //CONSTITUTIVE_DISLOTWIN_label//')') - if (constitutive_dislotwin_sbResistance(i) < 0.0_pReal) call IO_error(211_pInt,el=i,ext_msg='sbResistance (' & + if (constitutive_dislotwin_sbResistance(i) < 0.0_pReal) call IO_error(211_pInt,el=i,ext_msg='sbResistance (' & //CONSTITUTIVE_DISLOTWIN_label//')') - if (constitutive_dislotwin_sbVelocity(i) < 0.0_pReal) call IO_error(211_pInt,el=i,ext_msg='sbVelocity (' & + if (constitutive_dislotwin_sbVelocity(i) < 0.0_pReal) call IO_error(211_pInt,el=i,ext_msg='sbVelocity (' & //CONSTITUTIVE_DISLOTWIN_label//')') - !* Determine total number of active slip or twin systems + !* Determine total number of active slip or twin systems constitutive_dislotwin_Nslip(:,i) = min(lattice_NslipSystem(:,structID),constitutive_dislotwin_Nslip(:,i)) constitutive_dislotwin_Ntwin(:,i) = min(lattice_NtwinSystem(:,structID),constitutive_dislotwin_Ntwin(:,i)) - constitutive_dislotwin_totalNslip(i) = sum(constitutive_dislotwin_Nslip(:,i)) - constitutive_dislotwin_totalNtwin(i) = sum(constitutive_dislotwin_Ntwin(:,i)) + constitutive_dislotwin_totalNslip(i) = sum(constitutive_dislotwin_Nslip(:,i)) + constitutive_dislotwin_totalNtwin(i) = sum(constitutive_dislotwin_Ntwin(:,i)) enddo sanityChecks !-------------------------------------------------------------------------------------------------- @@ -570,211 +570,211 @@ subroutine constitutive_dislotwin_init(file) !write(6,*) 'ntwin',i,constitutive_dislotwin_totalNtwin(i),maxTotalNtwin allocate(constitutive_dislotwin_burgersPerSlipSystem(maxTotalNslip, maxNinstance)) - constitutive_dislotwin_burgersPerSlipSystem = 0.0_pReal + constitutive_dislotwin_burgersPerSlipSystem = 0.0_pReal allocate(constitutive_dislotwin_burgersPerTwinSystem(maxTotalNtwin, maxNinstance)) - constitutive_dislotwin_burgersPerTwinSystem= 0.0_pReal + constitutive_dislotwin_burgersPerTwinSystem= 0.0_pReal allocate(constitutive_dislotwin_QedgePerSlipSystem(maxTotalNslip, maxNinstance)) - constitutive_dislotwin_QedgePerSlipSystem = 0.0_pReal + constitutive_dislotwin_QedgePerSlipSystem = 0.0_pReal allocate(constitutive_dislotwin_v0PerSlipSystem(maxTotalNslip, maxNinstance)) - constitutive_dislotwin_v0PerSlipSystem = 0.0_pReal + constitutive_dislotwin_v0PerSlipSystem = 0.0_pReal allocate(constitutive_dislotwin_Ndot0PerTwinSystem(maxTotalNtwin, maxNinstance)) - constitutive_dislotwin_Ndot0PerTwinSystem = 0.0_pReal + constitutive_dislotwin_Ndot0PerTwinSystem = 0.0_pReal allocate(constitutive_dislotwin_tau_r(maxTotalNtwin, maxNinstance)) - constitutive_dislotwin_tau_r = 0.0_pReal + constitutive_dislotwin_tau_r = 0.0_pReal allocate(constitutive_dislotwin_twinsizePerTwinSystem(maxTotalNtwin, maxNinstance)) - constitutive_dislotwin_twinsizePerTwinSystem = 0.0_pReal + constitutive_dislotwin_twinsizePerTwinSystem = 0.0_pReal allocate(constitutive_dislotwin_CLambdaSlipPerSlipSystem(maxTotalNslip, maxNinstance)) - constitutive_dislotwin_CLambdaSlipPerSlipSystem = 0.0_pReal + constitutive_dislotwin_CLambdaSlipPerSlipSystem = 0.0_pReal allocate(constitutive_dislotwin_interactionMatrix_SlipSlip(maxTotalNslip,maxTotalNslip,maxNinstance)) - constitutive_dislotwin_interactionMatrix_SlipSlip = 0.0_pReal + constitutive_dislotwin_interactionMatrix_SlipSlip = 0.0_pReal allocate(constitutive_dislotwin_interactionMatrix_SlipTwin(maxTotalNslip,maxTotalNtwin,maxNinstance)) - constitutive_dislotwin_interactionMatrix_SlipTwin = 0.0_pReal + constitutive_dislotwin_interactionMatrix_SlipTwin = 0.0_pReal allocate(constitutive_dislotwin_interactionMatrix_TwinSlip(maxTotalNtwin,maxTotalNslip,maxNinstance)) - constitutive_dislotwin_interactionMatrix_TwinSlip = 0.0_pReal + constitutive_dislotwin_interactionMatrix_TwinSlip = 0.0_pReal allocate(constitutive_dislotwin_interactionMatrix_TwinTwin(maxTotalNtwin,maxTotalNtwin,maxNinstance)) - constitutive_dislotwin_interactionMatrix_TwinTwin = 0.0_pReal + constitutive_dislotwin_interactionMatrix_TwinTwin = 0.0_pReal allocate(constitutive_dislotwin_forestProjectionEdge(maxTotalNslip,maxTotalNslip,maxNinstance)) - constitutive_dislotwin_forestProjectionEdge = 0.0_pReal + constitutive_dislotwin_forestProjectionEdge = 0.0_pReal allocate(constitutive_dislotwin_Ctwin_66(6,6,maxTotalNtwin,maxNinstance)) - constitutive_dislotwin_Ctwin_66 = 0.0_pReal + constitutive_dislotwin_Ctwin_66 = 0.0_pReal allocate(constitutive_dislotwin_Ctwin_3333(3,3,3,3,maxTotalNtwin,maxNinstance)) - constitutive_dislotwin_Ctwin_3333 = 0.0_pReal + constitutive_dislotwin_Ctwin_3333 = 0.0_pReal instancesLoop: do i = 1_pInt,maxNinstance structID = constitutive_dislotwin_structure(i) - ns = constitutive_dislotwin_totalNslip(i) - nt = constitutive_dislotwin_totalNtwin(i) - ! write(6,*) 'instance',i,'has nslip and ntwin',ns,nt + ns = constitutive_dislotwin_totalNslip(i) + nt = constitutive_dislotwin_totalNtwin(i) + ! write(6,*) 'instance',i,'has nslip and ntwin',ns,nt - !* Determine size of state array + !* Determine size of state array constitutive_dislotwin_sizeDotState(i) = int(size(CONSTITUTIVE_DISLOTWIN_listBasicSlipStates),pInt) * ns & + int(size(CONSTITUTIVE_DISLOTWIN_listBasicTwinStates),pInt) * nt - constitutive_dislotwin_sizeState(i) = constitutive_dislotwin_sizeDotState(i) & + constitutive_dislotwin_sizeState(i) = constitutive_dislotwin_sizeDotState(i) & + int(size(CONSTITUTIVE_DISLOTWIN_listDependentSlipStates),pInt) * ns & + int(size(CONSTITUTIVE_DISLOTWIN_listDependentTwinStates),pInt) * nt - !* Determine size of postResults array + !* Determine size of postResults array outputsLoop: do o = 1_pInt,constitutive_dislotwin_Noutput(i) - select case(constitutive_dislotwin_output(o,i)) - case('edge_density', & - 'dipole_density', & - 'shear_rate_slip', & - 'accumulated_shear_slip', & - 'mfp_slip', & - 'resolved_stress_slip', & - 'threshold_stress_slip', & - 'edge_dipole_distance', & - 'stress_exponent' & - ) - mySize = ns - case('twin_fraction', & - 'shear_rate_twin', & - 'accumulated_shear_twin', & - 'mfp_twin', & - 'resolved_stress_twin', & - 'threshold_stress_twin' & - ) - mySize = nt - case('resolved_stress_shearband', & - 'shear_rate_shearband' & - ) - mySize = 6_pInt - case('sb_eigenvalues') - mySize = 3_pInt - case('sb_eigenvectors') - mySize = 9_pInt - case default + select case(constitutive_dislotwin_output(o,i)) + case('edge_density', & + 'dipole_density', & + 'shear_rate_slip', & + 'accumulated_shear_slip', & + 'mfp_slip', & + 'resolved_stress_slip', & + 'threshold_stress_slip', & + 'edge_dipole_distance', & + 'stress_exponent' & + ) + mySize = ns + case('twin_fraction', & + 'shear_rate_twin', & + 'accumulated_shear_twin', & + 'mfp_twin', & + 'resolved_stress_twin', & + 'threshold_stress_twin' & + ) + mySize = nt + case('resolved_stress_shearband', & + 'shear_rate_shearband' & + ) + mySize = 6_pInt + case('sb_eigenvalues') + mySize = 3_pInt + case('sb_eigenvectors') + mySize = 9_pInt + case default call IO_error(212_pInt,ext_msg=constitutive_dislotwin_output(o,i)//' ('//CONSTITUTIVE_DISLOTWIN_label//')') - end select + end select - if (mySize > 0_pInt) then ! any meaningful output found - constitutive_dislotwin_sizePostResult(o,i) = mySize - constitutive_dislotwin_sizePostResults(i) = constitutive_dislotwin_sizePostResults(i) + mySize - endif + if (mySize > 0_pInt) then ! any meaningful output found + constitutive_dislotwin_sizePostResult(o,i) = mySize + constitutive_dislotwin_sizePostResults(i) = constitutive_dislotwin_sizePostResults(i) + mySize + endif enddo outputsLoop - + - !* Elasticity matrix and shear modulus according to material.config - constitutive_dislotwin_Cslip_66(1:6,1:6,i) = lattice_symmetrizeC66(constitutive_dislotwin_structureName(i),& - constitutive_dislotwin_Cslip_66(:,:,i)) - constitutive_dislotwin_Gmod(i) = & - 0.2_pReal*(constitutive_dislotwin_Cslip_66(1,1,i)-constitutive_dislotwin_Cslip_66(1,2,i)) & - +0.6_pReal*constitutive_dislotwin_Cslip_66(4,4,i) ! (C11iso-C12iso)/2 with C11iso=(3*C11+2*C12+4*C44)/5 and C12iso=(C11+4*C12-2*C44)/5 - constitutive_dislotwin_nu(i) = ( constitutive_dislotwin_Cslip_66(1,1,i) + 4.0_pReal*constitutive_dislotwin_Cslip_66(1,2,i) & - - 2.0_pReal*constitutive_dislotwin_Cslip_66(1,2,i) ) & - / ( 4.0_pReal*constitutive_dislotwin_Cslip_66(1,1,i) + 6.0_pReal*constitutive_dislotwin_Cslip_66(1,2,i) & - + 2.0_pReal*constitutive_dislotwin_Cslip_66(4,4,i) ) - constitutive_dislotwin_Cslip_66(1:6,1:6,i) = & - math_Mandel3333to66(math_Voigt66to3333(constitutive_dislotwin_Cslip_66(1:6,1:6,i))) - constitutive_dislotwin_Cslip_3333(1:3,1:3,1:3,1:3,i) = & - math_Voigt66to3333(constitutive_dislotwin_Cslip_66(1:6,1:6,i)) + !* Elasticity matrix and shear modulus according to material.config + constitutive_dislotwin_Cslip_66(1:6,1:6,i) = lattice_symmetrizeC66(constitutive_dislotwin_structureName(i),& + constitutive_dislotwin_Cslip_66(:,:,i)) + constitutive_dislotwin_Gmod(i) = & + 0.2_pReal*(constitutive_dislotwin_Cslip_66(1,1,i)-constitutive_dislotwin_Cslip_66(1,2,i)) & + +0.6_pReal*constitutive_dislotwin_Cslip_66(4,4,i) ! (C11iso-C12iso)/2 with C11iso=(3*C11+2*C12+4*C44)/5 and C12iso=(C11+4*C12-2*C44)/5 + constitutive_dislotwin_nu(i) = ( constitutive_dislotwin_Cslip_66(1,1,i) + 4.0_pReal*constitutive_dislotwin_Cslip_66(1,2,i) & + - 2.0_pReal*constitutive_dislotwin_Cslip_66(1,2,i) ) & + / ( 4.0_pReal*constitutive_dislotwin_Cslip_66(1,1,i) + 6.0_pReal*constitutive_dislotwin_Cslip_66(1,2,i) & + + 2.0_pReal*constitutive_dislotwin_Cslip_66(4,4,i) ) + constitutive_dislotwin_Cslip_66(1:6,1:6,i) = & + math_Mandel3333to66(math_Voigt66to3333(constitutive_dislotwin_Cslip_66(1:6,1:6,i))) + constitutive_dislotwin_Cslip_3333(1:3,1:3,1:3,1:3,i) = & + math_Voigt66to3333(constitutive_dislotwin_Cslip_66(1:6,1:6,i)) - !* Process slip related parameters ------------------------------------------------ + !* Process slip related parameters ------------------------------------------------ - do f = 1_pInt,lattice_maxNslipFamily - index_myFamily = sum(constitutive_dislotwin_Nslip(1:f-1_pInt,i)) ! index in truncated slip system list + do f = 1_pInt,lattice_maxNslipFamily + index_myFamily = sum(constitutive_dislotwin_Nslip(1:f-1_pInt,i)) ! index in truncated slip system list - do j = 1_pInt,constitutive_dislotwin_Nslip(f,i) ! system in family + do j = 1_pInt,constitutive_dislotwin_Nslip(f,i) ! system in family - !* Burgers vector, - ! dislocation velocity prefactor, - ! mean free path prefactor, - ! and minimum dipole distance + !* Burgers vector, + ! dislocation velocity prefactor, + ! mean free path prefactor, + ! and minimum dipole distance - constitutive_dislotwin_burgersPerSlipSystem(index_myFamily+j,i) = constitutive_dislotwin_burgersPerSlipFamily(f,i) - constitutive_dislotwin_QedgePerSlipSystem(index_myFamily+j,i) = constitutive_dislotwin_QedgePerSlipFamily(f,i) - constitutive_dislotwin_v0PerSlipSystem(index_myFamily+j,i) = constitutive_dislotwin_v0PerSlipFamily(f,i) - constitutive_dislotwin_CLambdaSlipPerSlipSystem(index_myFamily+j,i) = constitutive_dislotwin_CLambdaSlipPerSlipFamily(f,i) + constitutive_dislotwin_burgersPerSlipSystem(index_myFamily+j,i) = constitutive_dislotwin_burgersPerSlipFamily(f,i) + constitutive_dislotwin_QedgePerSlipSystem(index_myFamily+j,i) = constitutive_dislotwin_QedgePerSlipFamily(f,i) + constitutive_dislotwin_v0PerSlipSystem(index_myFamily+j,i) = constitutive_dislotwin_v0PerSlipFamily(f,i) + constitutive_dislotwin_CLambdaSlipPerSlipSystem(index_myFamily+j,i) = constitutive_dislotwin_CLambdaSlipPerSlipFamily(f,i) - !* Calculation of forest projections for edge dislocations - !* Interaction matrices + !* Calculation of forest projections for edge dislocations + !* Interaction matrices - do o = 1_pInt,lattice_maxNslipFamily - index_otherFamily = sum(constitutive_dislotwin_Nslip(1:o-1_pInt,i)) - do k = 1_pInt,constitutive_dislotwin_Nslip(o,i) ! loop over (active) systems in other family (slip) - constitutive_dislotwin_forestProjectionEdge(index_myFamily+j,index_otherFamily+k,i) = & + do o = 1_pInt,lattice_maxNslipFamily + index_otherFamily = sum(constitutive_dislotwin_Nslip(1:o-1_pInt,i)) + do k = 1_pInt,constitutive_dislotwin_Nslip(o,i) ! loop over (active) systems in other family (slip) + constitutive_dislotwin_forestProjectionEdge(index_myFamily+j,index_otherFamily+k,i) = & abs(math_mul3x3(lattice_sn(:,sum(lattice_NslipSystem(1:f-1,structID))+j,structID), & lattice_st(:,sum(lattice_NslipSystem(1:o-1,structID))+k,structID))) - constitutive_dislotwin_interactionMatrix_SlipSlip(index_myFamily+j,index_otherFamily+k,i) = & - constitutive_dislotwin_interaction_SlipSlip(lattice_interactionSlipSlip( & + constitutive_dislotwin_interactionMatrix_SlipSlip(index_myFamily+j,index_otherFamily+k,i) = & + constitutive_dislotwin_interaction_SlipSlip(lattice_interactionSlipSlip( & sum(lattice_NslipSystem(1:f-1,structID))+j, & sum(lattice_NslipSystem(1:o-1,structID))+k, & structID), i ) - enddo; enddo + enddo; enddo - do o = 1_pInt,lattice_maxNtwinFamily - index_otherFamily = sum(constitutive_dislotwin_Ntwin(1:o-1_pInt,i)) - do k = 1_pInt,constitutive_dislotwin_Ntwin(o,i) ! loop over (active) systems in other family (twin) - constitutive_dislotwin_interactionMatrix_SlipTwin(index_myFamily+j,index_otherFamily+k,i) = & - constitutive_dislotwin_interaction_SlipTwin(lattice_interactionSlipTwin( & + do o = 1_pInt,lattice_maxNtwinFamily + index_otherFamily = sum(constitutive_dislotwin_Ntwin(1:o-1_pInt,i)) + do k = 1_pInt,constitutive_dislotwin_Ntwin(o,i) ! loop over (active) systems in other family (twin) + constitutive_dislotwin_interactionMatrix_SlipTwin(index_myFamily+j,index_otherFamily+k,i) = & + constitutive_dislotwin_interaction_SlipTwin(lattice_interactionSlipTwin( & sum(lattice_NslipSystem(1:f-1_pInt,structID))+j, & sum(lattice_NtwinSystem(1:o-1_pInt,structID))+k, & structID), i ) - enddo; enddo + enddo; enddo - enddo ! slip system in family - enddo ! slip families + enddo ! slip system in family + enddo ! slip families - !* Process twin related parameters ------------------------------------------------ - - do f = 1_pInt,lattice_maxNtwinFamily - index_myFamily = sum(constitutive_dislotwin_Ntwin(1:f-1_pInt,i)) ! index in truncated twin system list + !* Process twin related parameters ------------------------------------------------ + + do f = 1_pInt,lattice_maxNtwinFamily + index_myFamily = sum(constitutive_dislotwin_Ntwin(1:f-1_pInt,i)) ! index in truncated twin system list - do j = 1_pInt,constitutive_dislotwin_Ntwin(f,i) ! system in family + do j = 1_pInt,constitutive_dislotwin_Ntwin(f,i) ! system in family - !* Burgers vector, - ! nucleation rate prefactor, - ! and twin size + !* Burgers vector, + ! nucleation rate prefactor, + ! and twin size - constitutive_dislotwin_burgersPerTwinSystem(index_myFamily+j,i) = constitutive_dislotwin_burgersPerTwinFamily(f,i) - constitutive_dislotwin_Ndot0PerTwinSystem(index_myFamily+j,i) = constitutive_dislotwin_Ndot0PerTwinFamily(f,i) - constitutive_dislotwin_twinsizePerTwinSystem(index_myFamily+j,i) = constitutive_dislotwin_twinsizePerTwinFamily(f,i) + constitutive_dislotwin_burgersPerTwinSystem(index_myFamily+j,i) = constitutive_dislotwin_burgersPerTwinFamily(f,i) + constitutive_dislotwin_Ndot0PerTwinSystem(index_myFamily+j,i) = constitutive_dislotwin_Ndot0PerTwinFamily(f,i) + constitutive_dislotwin_twinsizePerTwinSystem(index_myFamily+j,i) = constitutive_dislotwin_twinsizePerTwinFamily(f,i) - !* Rotate twin elasticity matrices + !* Rotate twin elasticity matrices index_otherFamily = sum(lattice_NtwinSystem(1:f-1_pInt,structID)) ! index in full lattice twin list - do l = 1_pInt,3_pInt ; do m = 1_pInt,3_pInt ; do n = 1_pInt,3_pInt ; do o = 1_pInt,3_pInt - do p = 1_pInt,3_pInt ; do q = 1_pInt,3_pInt ; do r = 1_pInt,3_pInt ; do s = 1_pInt,3_pInt - constitutive_dislotwin_Ctwin_3333(l,m,n,o,index_myFamily+j,i) = & - constitutive_dislotwin_Ctwin_3333(l,m,n,o,index_myFamily+j,i) + & - constitutive_dislotwin_Cslip_3333(p,q,r,s,i) * & + do l = 1_pInt,3_pInt ; do m = 1_pInt,3_pInt ; do n = 1_pInt,3_pInt ; do o = 1_pInt,3_pInt + do p = 1_pInt,3_pInt ; do q = 1_pInt,3_pInt ; do r = 1_pInt,3_pInt ; do s = 1_pInt,3_pInt + constitutive_dislotwin_Ctwin_3333(l,m,n,o,index_myFamily+j,i) = & + constitutive_dislotwin_Ctwin_3333(l,m,n,o,index_myFamily+j,i) + & + constitutive_dislotwin_Cslip_3333(p,q,r,s,i) * & lattice_Qtwin(l,p,index_otherFamily+j,structID) * & lattice_Qtwin(m,q,index_otherFamily+j,structID) * & lattice_Qtwin(n,r,index_otherFamily+j,structID) * & lattice_Qtwin(o,s,index_otherFamily+j,structID) - enddo ; enddo ; enddo ; enddo - enddo ; enddo ; enddo ; enddo - constitutive_dislotwin_Ctwin_66(1:6,1:6,index_myFamily+j,i) = & - math_Mandel3333to66(constitutive_dislotwin_Ctwin_3333(1:3,1:3,1:3,1:3,index_myFamily+j,i)) + enddo ; enddo ; enddo ; enddo + enddo ; enddo ; enddo ; enddo + constitutive_dislotwin_Ctwin_66(1:6,1:6,index_myFamily+j,i) = & + math_Mandel3333to66(constitutive_dislotwin_Ctwin_3333(1:3,1:3,1:3,1:3,index_myFamily+j,i)) - !* Interaction matrices + !* Interaction matrices - do o = 1_pInt,lattice_maxNslipFamily - index_otherFamily = sum(constitutive_dislotwin_Nslip(1:o-1_pInt,i)) - do k = 1_pInt,constitutive_dislotwin_Nslip(o,i) ! loop over (active) systems in other family (slip) - constitutive_dislotwin_interactionMatrix_TwinSlip(index_myFamily+j,index_otherFamily+k,i) = & - constitutive_dislotwin_interaction_TwinSlip(lattice_interactionTwinSlip( & + do o = 1_pInt,lattice_maxNslipFamily + index_otherFamily = sum(constitutive_dislotwin_Nslip(1:o-1_pInt,i)) + do k = 1_pInt,constitutive_dislotwin_Nslip(o,i) ! loop over (active) systems in other family (slip) + constitutive_dislotwin_interactionMatrix_TwinSlip(index_myFamily+j,index_otherFamily+k,i) = & + constitutive_dislotwin_interaction_TwinSlip(lattice_interactionTwinSlip( & sum(lattice_NtwinSystem(1:f-1_pInt,structID))+j, & sum(lattice_NslipSystem(1:o-1_pInt,structID))+k, & structID), i ) - enddo; enddo + enddo; enddo - do o = 1_pInt,lattice_maxNtwinFamily - index_otherFamily = sum(constitutive_dislotwin_Ntwin(1:o-1_pInt,i)) - do k = 1_pInt,constitutive_dislotwin_Ntwin(o,i) ! loop over (active) systems in other family (twin) - constitutive_dislotwin_interactionMatrix_TwinTwin(index_myFamily+j,index_otherFamily+k,i) = & - constitutive_dislotwin_interaction_TwinTwin(lattice_interactionTwinTwin( & + do o = 1_pInt,lattice_maxNtwinFamily + index_otherFamily = sum(constitutive_dislotwin_Ntwin(1:o-1_pInt,i)) + do k = 1_pInt,constitutive_dislotwin_Ntwin(o,i) ! loop over (active) systems in other family (twin) + constitutive_dislotwin_interactionMatrix_TwinTwin(index_myFamily+j,index_otherFamily+k,i) = & + constitutive_dislotwin_interaction_TwinTwin(lattice_interactionTwinTwin( & sum(lattice_NtwinSystem(1:f-1_pInt,structID))+j, & sum(lattice_NtwinSystem(1:o-1_pInt,structID))+k, & structID), i ) - enddo; enddo + enddo; enddo - enddo ! twin system in family - enddo ! twin families + enddo ! twin system in family + enddo ! twin families enddo instancesLoop @@ -799,10 +799,10 @@ function constitutive_dislotwin_stateInit(matID) integer(pInt) :: i,j,f,ns,nt, index_myFamily real(pReal), dimension(constitutive_dislotwin_totalNslip(matID)) :: & rhoEdge0, & - rhoEdgeDip0, & - invLambdaSlip0, & - MeanFreePathSlip0, & - tauSlipThreshold0 + rhoEdgeDip0, & + invLambdaSlip0, & + MeanFreePathSlip0, & + tauSlipThreshold0 real(pReal), dimension(constitutive_dislotwin_totalNtwin(matID)) :: & MeanFreePathTwin0,TwinVolume0 @@ -814,10 +814,10 @@ function constitutive_dislotwin_stateInit(matID) do f = 1_pInt,lattice_maxNslipFamily index_myFamily = sum(constitutive_dislotwin_Nslip(1:f-1_pInt,matID)) ! index in truncated slip system list - rhoEdge0(index_myFamily+1_pInt: & + rhoEdge0(index_myFamily+1_pInt: & index_myFamily+constitutive_dislotwin_Nslip(f,matID)) = & constitutive_dislotwin_rhoEdge0(f,matID) - rhoEdgeDip0(index_myFamily+1_pInt: & + rhoEdgeDip0(index_myFamily+1_pInt: & index_myFamily+constitutive_dislotwin_Nslip(f,matID)) = & constitutive_dislotwin_rhoEdgeDip0(f,matID) enddo @@ -832,7 +832,7 @@ function constitutive_dislotwin_stateInit(matID) constitutive_dislotwin_stateInit(3_pInt*ns+2_pInt*nt+1:4_pInt*ns+2_pInt*nt) = invLambdaSlip0 forall (i = 1_pInt:ns) & - MeanFreePathSlip0(i) = & + MeanFreePathSlip0(i) = & constitutive_dislotwin_GrainSize(matID)/(1.0_pReal+invLambdaSlip0(i)*constitutive_dislotwin_GrainSize(matID)) constitutive_dislotwin_stateInit(5_pInt*ns+3_pInt*nt+1:6_pInt*ns+3_pInt*nt) = MeanFreePathSlip0 @@ -848,7 +848,7 @@ function constitutive_dislotwin_stateInit(matID) constitutive_dislotwin_stateInit(6_pInt*ns+3_pInt*nt+1_pInt:6_pInt*ns+4_pInt*nt) = MeanFreePathTwin0 forall (j = 1_pInt:nt) & - TwinVolume0(j) = & + TwinVolume0(j) = & (pi/4.0_pReal)*constitutive_dislotwin_twinsizePerTwinSystem(j,matID)*MeanFreePathTwin0(j)**(2.0_pReal) constitutive_dislotwin_stateInit(7_pInt*ns+5_pInt*nt+1_pInt:7_pInt*ns+6_pInt*nt) = TwinVolume0 @@ -937,7 +937,7 @@ pure function constitutive_dislotwin_homogenizedC(state,ipc,ip,el) !* Homogenized elasticity matrix constitutive_dislotwin_homogenizedC = (1.0_pReal-sumf)*constitutive_dislotwin_Cslip_66(:,:,matID) do i=1_pInt,nt - constitutive_dislotwin_homogenizedC = & + constitutive_dislotwin_homogenizedC = & constitutive_dislotwin_homogenizedC + state(ipc,ip,el)%p(3_pInt*ns+i)*constitutive_dislotwin_Ctwin_66(:,:,i,matID) enddo @@ -1004,7 +1004,7 @@ subroutine constitutive_dislotwin_microstructure(Temperature,state,ipc,ip,el) !* rescaled twin volume fraction for topology forall (t = 1_pInt:nt) & - fOverStacksize(t) = & + fOverStacksize(t) = & state(ipc,ip,el)%p(3_pInt*ns+t)/constitutive_dislotwin_twinsizePerTwinSystem(t,matID) !* 1/mean free distance between 2 forest dislocations seen by a moving dislocation @@ -1031,15 +1031,15 @@ subroutine constitutive_dislotwin_microstructure(Temperature,state,ipc,ip,el) !* mean free path between 2 obstacles seen by a moving dislocation do s = 1_pInt,ns - if (nt > 0_pInt) then + if (nt > 0_pInt) then state(ipc,ip,el)%p(5_pInt*ns+3_pInt*nt+s) = & constitutive_dislotwin_GrainSize(matID)/(1.0_pReal+constitutive_dislotwin_GrainSize(matID)*& (state(ipc,ip,el)%p(3_pInt*ns+2_pInt*nt+s)+state(ipc,ip,el)%p(4_pInt*ns+2_pInt*nt+s))) - else + else state(ipc,ip,el)%p(5_pInt*ns+s) = & constitutive_dislotwin_GrainSize(matID)/& (1.0_pReal+constitutive_dislotwin_GrainSize(matID)*(state(ipc,ip,el)%p(3_pInt*ns+s))) - endif + endif enddo !* mean free path between 2 obstacles seen by a growing twin @@ -1120,7 +1120,7 @@ subroutine constitutive_dislotwin_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,Temperat lattice_NtwinSystem, & lattice_shearTwin, & lattice_fcc_corellationTwinSlip - + implicit none integer(pInt), intent(in) :: ipc,ip,el real(pReal), intent(in) :: Temperature @@ -1133,31 +1133,31 @@ subroutine constitutive_dislotwin_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,Temperat real(pReal) :: sumf,StressRatio_p,StressRatio_pminus1,StressRatio_r,BoltzmannRatio,DotGamma0,Ndot0 real(pReal), dimension(3,3,3,3) :: dLp_dTstar3333 real(pReal), dimension(constitutive_dislotwin_totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & - gdot_slip,dgdot_dtauslip,tau_slip + gdot_slip,dgdot_dtauslip,tau_slip real(pReal), dimension(constitutive_dislotwin_totalNtwin(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & - gdot_twin,dgdot_dtautwin,tau_twin + gdot_twin,dgdot_dtautwin,tau_twin real(pReal), dimension(6) :: gdot_sb,dgdot_dtausb,tau_sb real(pReal), dimension(3,3) :: eigVectors, sb_Smatrix real(pReal), dimension(3) :: eigValues, sb_s, sb_m real(pReal), dimension(3,6), parameter :: & - sb_sComposition = & - reshape(real([& - 1, 0, 1, & - 1, 0,-1, & - 1, 1, 0, & - 1,-1, 0, & - 0, 1, 1, & - 0, 1,-1 & - ],pReal),[ 3,6]), & - sb_mComposition = & - reshape(real([& - 1, 0,-1, & - 1, 0,+1, & - 1,-1, 0, & - 1, 1, 0, & - 0, 1,-1, & - 0, 1, 1 & - ],pReal),[ 3,6]) + sb_sComposition = & + reshape(real([& + 1, 0, 1, & + 1, 0,-1, & + 1, 1, 0, & + 1,-1, 0, & + 0, 1, 1, & + 0, 1,-1 & + ],pReal),[ 3,6]), & + sb_mComposition = & + reshape(real([& + 1, 0,-1, & + 1, 0,+1, & + 1,-1, 0, & + 1, 1, 0, & + 0, 1,-1, & + 0, 1, 1 & + ],pReal),[ 3,6]) logical error !* Shortened notation @@ -1180,93 +1180,93 @@ subroutine constitutive_dislotwin_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,Temperat do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,structID)) ! at which index starts my family do i = 1_pInt,constitutive_dislotwin_Nslip(f,matID) ! process each (active) slip system in family - j = j+1_pInt + j = j+1_pInt - !* Calculation of Lp - !* Resolved shear stress on slip system + !* Calculation of Lp + !* Resolved shear stress on slip system tau_slip(j) = dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,structID)) - !* Stress ratios + !* Stress ratios StressRatio_p = (abs(tau_slip(j))/state(ipc,ip,el)%p(6*ns+4*nt+j))**constitutive_dislotwin_p(matID) StressRatio_pminus1 = (abs(tau_slip(j))/state(ipc,ip,el)%p(6*ns+4*nt+j))**(constitutive_dislotwin_p(matID)-1.0_pReal) - !* Boltzmann ratio + !* Boltzmann ratio BoltzmannRatio = constitutive_dislotwin_QedgePerSlipSystem(j,matID)/(kB*Temperature) - !* Initial shear rates - DotGamma0 = & + !* Initial shear rates + DotGamma0 = & state(ipc,ip,el)%p(j)*constitutive_dislotwin_burgersPerSlipSystem(j,matID)*& constitutive_dislotwin_v0PerSlipSystem(j,matID) - !* Shear rates due to slip + !* Shear rates due to slip gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1-StressRatio_p)**constitutive_dislotwin_q(matID))*& - sign(1.0_pReal,tau_slip(j)) + sign(1.0_pReal,tau_slip(j)) - !* Derivatives of shear rates - dgdot_dtauslip(j) = & - ((abs(gdot_slip(j))*BoltzmannRatio*& + !* Derivatives of shear rates + dgdot_dtauslip(j) = & + ((abs(gdot_slip(j))*BoltzmannRatio*& constitutive_dislotwin_p(matID)*constitutive_dislotwin_q(matID))/state(ipc,ip,el)%p(6*ns+4*nt+j))*& StressRatio_pminus1*(1-StressRatio_p)**(constitutive_dislotwin_q(matID)-1.0_pReal) - !* Plastic velocity gradient for dislocation glide + !* Plastic velocity gradient for dislocation glide Lp = Lp + (1.0_pReal - sumf)*gdot_slip(j)*lattice_Sslip(:,:,1,index_myFamily+i,structID) - !* Calculation of the tangent of Lp - forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & - dLp_dTstar3333(k,l,m,n) = & - dLp_dTstar3333(k,l,m,n) + dgdot_dtauslip(j)*& + !* Calculation of the tangent of Lp + forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & + dLp_dTstar3333(k,l,m,n) = & + dLp_dTstar3333(k,l,m,n) + dgdot_dtauslip(j)*& lattice_Sslip(k,l,1,index_myFamily+i,structID)*& lattice_Sslip(m,n,1,index_myFamily+i,structID) - enddo + enddo enddo !* Shear banding (shearband) part - if(constitutive_dislotwin_sbVelocity(matID) /= 0.0_pReal .or. & + if(constitutive_dislotwin_sbVelocity(matID) /= 0.0_pReal .and. & constitutive_dislotwin_sbResistance(matID) /= 0.0_pReal) then - gdot_sb = 0.0_pReal - dgdot_dtausb = 0.0_pReal - call math_spectralDecompositionSym33(math_Mandel6to33(Tstar_v),eigValues,eigVectors, error) - do j = 1_pInt,6_pInt - sb_s = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_sComposition(1:3,j)) - sb_m = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_mComposition(1:3,j)) - sb_Smatrix = math_tensorproduct(sb_s,sb_m) + gdot_sb = 0.0_pReal + dgdot_dtausb = 0.0_pReal + call math_spectralDecompositionSym33(math_Mandel6to33(Tstar_v),eigValues,eigVectors, error) + do j = 1_pInt,6_pInt + sb_s = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_sComposition(1:3,j)) + sb_m = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_mComposition(1:3,j)) + sb_Smatrix = math_tensorproduct(sb_s,sb_m) constitutive_dislotwin_sbSv(1:6,j,ipc,ip,el) = math_Mandel33to6(math_symmetric33(sb_Smatrix)) - - !* Calculation of Lp - !* Resolved shear stress on shear banding system + + !* Calculation of Lp + !* Resolved shear stress on shear banding system tau_sb(j) = dot_product(Tstar_v,constitutive_dislotwin_sbSv(1:6,j,ipc,ip,el)) - + ! if (debug_selectiveDebugger .and. ipc==debug_ipc .and. ip==debug_i .and. el==debug_e) then ! write(6,'(a,3(i3,1x),a,i1,a,e10.3)') '### TAU SHEARBAND at ipc ip el ',ipc,ip,el,' on family ',j,' : ',tau - ! endif - - !* Stress ratios + ! endif + + !* Stress ratios StressRatio_p = (abs(tau_sb(j))/constitutive_dislotwin_sbResistance(matID))**constitutive_dislotwin_p(matID) StressRatio_pminus1 = (abs(tau_sb(j))/constitutive_dislotwin_sbResistance(matID))& **(constitutive_dislotwin_p(matID)-1.0_pReal) - !* Boltzmann ratio + !* Boltzmann ratio BoltzmannRatio = constitutive_dislotwin_sbQedge(matID)/(kB*Temperature) - !* Initial shear rates + !* Initial shear rates DotGamma0 = constitutive_dislotwin_sbVelocity(matID) - !* Shear rates due to shearband + !* Shear rates due to shearband gdot_sb(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**constitutive_dislotwin_q(matID))*& - sign(1.0_pReal,tau_sb(j)) - - !* Derivatives of shear rates - dgdot_dtausb(j) = & - ((abs(gdot_sb(j))*BoltzmannRatio*& + sign(1.0_pReal,tau_sb(j)) + + !* Derivatives of shear rates + dgdot_dtausb(j) = & + ((abs(gdot_sb(j))*BoltzmannRatio*& constitutive_dislotwin_p(matID)*constitutive_dislotwin_q(matID))/constitutive_dislotwin_sbResistance(matID))*& StressRatio_pminus1*(1_pInt-StressRatio_p)**(constitutive_dislotwin_q(matID)-1.0_pReal) - !* Plastic velocity gradient for shear banding - Lp = Lp + gdot_sb(j)*sb_Smatrix + !* Plastic velocity gradient for shear banding + Lp = Lp + gdot_sb(j)*sb_Smatrix - !* Calculation of the tangent of Lp - forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & - dLp_dTstar3333(k,l,m,n) = & - dLp_dTstar3333(k,l,m,n) + dgdot_dtausb(j)*& - sb_Smatrix(k,l)*& - sb_Smatrix(m,n) - enddo + !* Calculation of the tangent of Lp + forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & + dLp_dTstar3333(k,l,m,n) = & + dLp_dTstar3333(k,l,m,n) + dgdot_dtausb(j)*& + sb_Smatrix(k,l)*& + sb_Smatrix(m,n) + enddo end if !* Mechanical twinning part @@ -1276,49 +1276,49 @@ subroutine constitutive_dislotwin_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,Temperat do f = 1_pInt,lattice_maxNtwinFamily ! loop over all slip families index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,structID)) ! at which index starts my family do i = 1_pInt,constitutive_dislotwin_Ntwin(f,matID) ! process each (active) slip system in family - j = j+1_pInt + j = j+1_pInt - !* Calculation of Lp - !* Resolved shear stress on twin system + !* Calculation of Lp + !* Resolved shear stress on twin system tau_twin(j) = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,structID)) - !* Stress ratios + !* Stress ratios StressRatio_r = (state(ipc,ip,el)%p(7*ns+4*nt+j)/tau_twin(j))**constitutive_dislotwin_r(matID) - !* Shear rates and their derivatives due to twin - if ( tau_twin(j) > 0.0_pReal ) then + !* Shear rates and their derivatives due to twin + if ( tau_twin(j) > 0.0_pReal ) then select case(constitutive_dislotwin_structureName(matID)) - case ('fcc') - s1=lattice_fcc_corellationTwinSlip(1,index_myFamily+i) - s2=lattice_fcc_corellationTwinSlip(2,index_myFamily+i) + case ('fcc') + s1=lattice_fcc_corellationTwinSlip(1,index_myFamily+i) + s2=lattice_fcc_corellationTwinSlip(2,index_myFamily+i) if (tau_twin(j) < constitutive_dislotwin_tau_r(j,matID)) then Ndot0=(abs(gdot_slip(s1))*(state(ipc,ip,el)%p(s2)+state(ipc,ip,el)%p(ns+s2))+& abs(gdot_slip(s2))*(state(ipc,ip,el)%p(s1)+state(ipc,ip,el)%p(ns+s1)))/& (constitutive_dislotwin_L0(matID)*constitutive_dislotwin_burgersPerSlipSystem(j,matID))*& (1-exp(-constitutive_dislotwin_VcrossSlip(matID)/(kB*Temperature)*& (constitutive_dislotwin_tau_r(j,matID)-tau_twin(j)))) - else - Ndot0=0.0_pReal - end if - case default + else + Ndot0=0.0_pReal + end if + case default Ndot0=constitutive_dislotwin_Ndot0PerTwinSystem(j,matID) - end select - gdot_twin(j) = & + end select + gdot_twin(j) = & (constitutive_dislotwin_MaxTwinFraction(matID)-sumf)*lattice_shearTwin(index_myFamily+i,structID)*& state(ipc,ip,el)%p(7*ns+5*nt+j)*Ndot0*exp(-StressRatio_r) dgdot_dtautwin(j) = ((gdot_twin(j)*constitutive_dislotwin_r(matID))/tau_twin(j))*StressRatio_r - endif + endif - !* Plastic velocity gradient for mechanical twinning + !* Plastic velocity gradient for mechanical twinning Lp = Lp + gdot_twin(j)*lattice_Stwin(:,:,index_myFamily+i,structID) - !* Calculation of the tangent of Lp - forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & - dLp_dTstar3333(k,l,m,n) = & - dLp_dTstar3333(k,l,m,n) + dgdot_dtautwin(j)*& + !* Calculation of the tangent of Lp + forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & + dLp_dTstar3333(k,l,m,n) = & + dLp_dTstar3333(k,l,m,n) + dgdot_dtautwin(j)*& lattice_Stwin(k,l,index_myFamily+i,structID)*& lattice_Stwin(m,n,index_myFamily+i,structID) - enddo + enddo enddo dLp_dTstar = math_Plain3333to99(dLp_dTstar3333) @@ -1346,8 +1346,8 @@ pure function constitutive_dislotwin_dotState(Tstar_v,Temperature,state,ipc,ip,e use mesh, only: mesh_NcpElems, mesh_maxNips use material, only: homogenization_maxNgrains, material_phase, phase_plasticityInstance use lattice, only: lattice_Sslip_v, lattice_Stwin_v, & - lattice_maxNslipFamily,lattice_maxNtwinFamily, & - lattice_NslipSystem, lattice_NtwinSystem, lattice_sheartwin, lattice_fcc_corellationTwinSlip + lattice_maxNslipFamily,lattice_maxNtwinFamily, & + lattice_NslipSystem, lattice_NtwinSystem, lattice_sheartwin, lattice_fcc_corellationTwinSlip implicit none real(pReal), dimension(6), intent(in):: & @@ -1365,12 +1365,12 @@ pure function constitutive_dislotwin_dotState(Tstar_v,Temperature,state,ipc,ip,e integer(pInt) matID,structID,ns,nt,f,i,j,index_myFamily,s1,s2 real(pReal) sumf,StressRatio_p,StressRatio_pminus1,BoltzmannRatio,DotGamma0,& - EdgeDipMinDistance,AtomicVolume,VacancyDiffusion,StressRatio_r,Ndot0 + EdgeDipMinDistance,AtomicVolume,VacancyDiffusion,StressRatio_r,Ndot0 real(pReal), dimension(constitutive_dislotwin_totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & gdot_slip,tau_slip,DotRhoMultiplication,EdgeDipDistance,DotRhoEdgeEdgeAnnihilation,DotRhoEdgeDipAnnihilation,& ClimbVelocity,DotRhoEdgeDipClimb,DotRhoDipFormation real(pReal), dimension(constitutive_dislotwin_totalNtwin(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & - tau_twin + tau_twin !* Shortened notation matID = phase_plasticityInstance(material_phase(ipc,ip,el)) @@ -1389,84 +1389,84 @@ pure function constitutive_dislotwin_dotState(Tstar_v,Temperature,state,ipc,ip,e do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,structID)) ! at which index starts my family do i = 1_pInt,constitutive_dislotwin_Nslip(f,matID) ! process each (active) slip system in family - j = j+1_pInt + j = j+1_pInt - !* Resolved shear stress on slip system + !* Resolved shear stress on slip system tau_slip(j) = dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,structID)) - !* Stress ratios + !* Stress ratios StressRatio_p = (abs(tau_slip(j))/state(ipc,ip,el)%p(6_pInt*ns+4_pInt*nt+j))**& constitutive_dislotwin_p(matID) StressRatio_pminus1 = (abs(tau_slip(j))/state(ipc,ip,el)%p(6_pInt*ns+4_pInt*nt+j))**& (constitutive_dislotwin_p(matID)-1.0_pReal) - !* Boltzmann ratio + !* Boltzmann ratio BoltzmannRatio = constitutive_dislotwin_QedgePerSlipSystem(j,matID)/(kB*Temperature) - !* Initial shear rates - DotGamma0 = & + !* Initial shear rates + DotGamma0 = & state(ipc,ip,el)%p(j)*constitutive_dislotwin_burgersPerSlipSystem(j,matID)*& constitutive_dislotwin_v0PerSlipSystem(j,matID) - !* Shear rates due to slip + !* Shear rates due to slip gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**constitutive_dislotwin_q(matID))*& - sign(1.0_pReal,tau_slip(j)) + sign(1.0_pReal,tau_slip(j)) - !* Multiplication - DotRhoMultiplication(j) = abs(gdot_slip(j))/& + !* Multiplication + DotRhoMultiplication(j) = abs(gdot_slip(j))/& (constitutive_dislotwin_burgersPerSlipSystem(j,matID)*state(ipc,ip,el)%p(5*ns+3*nt+j)) - !* Dipole formation - EdgeDipMinDistance = & + !* Dipole formation + EdgeDipMinDistance = & constitutive_dislotwin_CEdgeDipMinDistance(matID)*constitutive_dislotwin_burgersPerSlipSystem(j,matID) - if (tau_slip(j) == 0.0_pReal) then - DotRhoDipFormation(j) = 0.0_pReal - else - EdgeDipDistance(j) = & + if (tau_slip(j) == 0.0_pReal) then + DotRhoDipFormation(j) = 0.0_pReal + else + EdgeDipDistance(j) = & (3.0_pReal*constitutive_dislotwin_Gmod(matID)*constitutive_dislotwin_burgersPerSlipSystem(j,matID))/& - (16.0_pReal*pi*abs(tau_slip(j))) + (16.0_pReal*pi*abs(tau_slip(j))) if (EdgeDipDistance(j)>state(ipc,ip,el)%p(5*ns+3*nt+j)) EdgeDipDistance(j)=state(ipc,ip,el)%p(5*ns+3*nt+j) - if (EdgeDipDistance(j) 0.0_pReal ) then + !* Shear rates and their derivatives due to twin + if ( tau_twin(j) > 0.0_pReal ) then select case(constitutive_dislotwin_structureName(matID)) - case ('fcc') - s1=lattice_fcc_corellationTwinSlip(1,index_myFamily+i) - s2=lattice_fcc_corellationTwinSlip(2,index_myFamily+i) + case ('fcc') + s1=lattice_fcc_corellationTwinSlip(1,index_myFamily+i) + s2=lattice_fcc_corellationTwinSlip(2,index_myFamily+i) if (tau_twin(j) < constitutive_dislotwin_tau_r(j,matID)) then Ndot0=(abs(gdot_slip(s1))*(state(ipc,ip,el)%p(s2)+state(ipc,ip,el)%p(ns+s2))+& abs(gdot_slip(s2))*(state(ipc,ip,el)%p(s1)+state(ipc,ip,el)%p(ns+s1)))/& (constitutive_dislotwin_L0(matID)*constitutive_dislotwin_burgersPerSlipSystem(j,matID))*& (1-exp(-constitutive_dislotwin_VcrossSlip(matID)/(kB*Temperature)*& (constitutive_dislotwin_tau_r(j,matID)-tau_twin(j)))) - else - Ndot0=0.0_pReal - end if - case default + else + Ndot0=0.0_pReal + end if + case default Ndot0=constitutive_dislotwin_Ndot0PerTwinSystem(j,matID) - end select - constitutive_dislotwin_dotState(3_pInt*ns+j) = & + end select + constitutive_dislotwin_dotState(3_pInt*ns+j) = & (constitutive_dislotwin_MaxTwinFraction(matID)-sumf)*& state(ipc,ip,el)%p(7_pInt*ns+5_pInt*nt+j)*Ndot0*exp(-StressRatio_r) - - !* Dotstate for accumulated shear due to twin - constitutive_dislotwin_dotstate(3_pInt*ns+nt+j) = constitutive_dislotwin_dotState(3_pInt*ns+j) * & + + !* Dotstate for accumulated shear due to twin + constitutive_dislotwin_dotstate(3_pInt*ns+nt+j) = constitutive_dislotwin_dotState(3_pInt*ns+j) * & lattice_sheartwin(index_myfamily+i,structID) - - endif + + endif - enddo + enddo enddo !write(6,*) '#DOTSTATE#' @@ -1533,14 +1533,14 @@ end function constitutive_dislotwin_dotState !-------------------------------------------------------------------------------------------------- pure function constitutive_dislotwin_deltaState(Tstar_v,temperature,state,ipc,ip,el) use prec, only: & - p_vec + p_vec use mesh, only: & mesh_NcpElems, & - mesh_maxNips + mesh_maxNips use material, only: & homogenization_maxNgrains, & - material_phase, & - phase_plasticityInstance + material_phase, & + phase_plasticityInstance implicit none real(pReal), dimension(6), intent(in):: & @@ -1637,145 +1637,145 @@ function constitutive_dislotwin_postResults(Tstar_v,Temperature,dt,state,ipc,ip, do o = 1_pInt,phase_Noutput(material_phase(ipc,ip,el)) select case(constitutive_dislotwin_output(o,matID)) - case ('edge_density') + case ('edge_density') constitutive_dislotwin_postResults(c+1_pInt:c+ns) = state(ipc,ip,el)%p(1_pInt:ns) - c = c + ns - case ('dipole_density') + c = c + ns + case ('dipole_density') constitutive_dislotwin_postResults(c+1_pInt:c+ns) = state(ipc,ip,el)%p(ns+1_pInt:2_pInt*ns) - c = c + ns - case ('shear_rate_slip') - j = 0_pInt - do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families + c = c + ns + case ('shear_rate_slip') + j = 0_pInt + do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,structID)) ! at which index starts my family do i = 1_pInt,constitutive_dislotwin_Nslip(f,matID) ! process each (active) slip system in family - j = j + 1_pInt + j = j + 1_pInt - !* Resolved shear stress on slip system + !* Resolved shear stress on slip system tau = dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,structID)) - !* Stress ratios + !* Stress ratios StressRatio_p = (abs(tau)/state(ipc,ip,el)%p(6_pInt*ns+4_pInt*nt+j))**& constitutive_dislotwin_p(matID) StressRatio_pminus1 = (abs(tau)/state(ipc,ip,el)%p(6_pInt*ns+4_pInt*nt+j))**& (constitutive_dislotwin_p(matID)-1.0_pReal) - !* Boltzmann ratio + !* Boltzmann ratio BoltzmannRatio = constitutive_dislotwin_QedgePerSlipSystem(j,matID)/(kB*Temperature) - !* Initial shear rates - DotGamma0 = & + !* Initial shear rates + DotGamma0 = & state(ipc,ip,el)%p(j)*constitutive_dislotwin_burgersPerSlipSystem(j,matID)* & constitutive_dislotwin_v0PerSlipSystem(j,matID) - !* Shear rates due to slip - constitutive_dislotwin_postResults(c+j) = & - DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& + !* Shear rates due to slip + constitutive_dislotwin_postResults(c+j) = & + DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& constitutive_dislotwin_q(matID))*sign(1.0_pReal,tau) - enddo ; enddo - c = c + ns - case ('accumulated_shear_slip') - constitutive_dislotwin_postResults(c+1_pInt:c+ns) = & + enddo ; enddo + c = c + ns + case ('accumulated_shear_slip') + constitutive_dislotwin_postResults(c+1_pInt:c+ns) = & state(ipc,ip,el)%p((2_pInt*ns+1_pInt):(3_pInt*ns)) - c = c + ns - case ('mfp_slip') - constitutive_dislotwin_postResults(c+1_pInt:c+ns) =& + c = c + ns + case ('mfp_slip') + constitutive_dislotwin_postResults(c+1_pInt:c+ns) =& state(ipc,ip,el)%p((5_pInt*ns+3_pInt*nt+1_pInt):(6_pInt*ns+3_pInt*nt)) - c = c + ns - case ('resolved_stress_slip') - j = 0_pInt - do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families + c = c + ns + case ('resolved_stress_slip') + j = 0_pInt + do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,structID)) ! at which index starts my family do i = 1_pInt,constitutive_dislotwin_Nslip(f,matID) ! process each (active) slip system in family - j = j + 1_pInt - constitutive_dislotwin_postResults(c+j) =& + j = j + 1_pInt + constitutive_dislotwin_postResults(c+j) =& dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,structID)) - enddo; enddo - c = c + ns - case ('threshold_stress_slip') - constitutive_dislotwin_postResults(c+1_pInt:c+ns) = & + enddo; enddo + c = c + ns + case ('threshold_stress_slip') + constitutive_dislotwin_postResults(c+1_pInt:c+ns) = & state(ipc,ip,el)%p((6_pInt*ns+4_pInt*nt+1_pInt):(7_pInt*ns+4_pInt*nt)) - c = c + ns - case ('edge_dipole_distance') - j = 0_pInt - do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families + c = c + ns + case ('edge_dipole_distance') + j = 0_pInt + do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,structID)) ! at which index starts my family do i = 1_pInt,constitutive_dislotwin_Nslip(f,matID) ! process each (active) slip system in family - j = j + 1_pInt - constitutive_dislotwin_postResults(c+j) = & + j = j + 1_pInt + constitutive_dislotwin_postResults(c+j) = & (3.0_pReal*constitutive_dislotwin_Gmod(matID)*constitutive_dislotwin_burgersPerSlipSystem(j,matID))/& (16.0_pReal*pi*abs(dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,structID)))) constitutive_dislotwin_postResults(c+j) = min(constitutive_dislotwin_postResults(c+j),state(ipc,ip,el)%p(5*ns+3*nt+j)) ! constitutive_dislotwin_postResults(c+j) = max(constitutive_dislotwin_postResults(c+j),state(ipc,ip,el)%p(4*ns+2*nt+j)) - enddo; enddo - c = c + ns - case ('resolved_stress_shearband') - do j = 1_pInt,6_pInt ! loop over all shearband families + enddo; enddo + c = c + ns + case ('resolved_stress_shearband') + do j = 1_pInt,6_pInt ! loop over all shearband families constitutive_dislotwin_postResults(c+j) = dot_product(Tstar_v, constitutive_dislotwin_sbSv(1:6,j,ipc,ip,el)) - enddo - c = c + 6_pInt - case ('shear_rate_shearband') - do j = 1_pInt,6_pInt ! loop over all shearbands - !* Resolved shear stress on shearband system + enddo + c = c + 6_pInt + case ('shear_rate_shearband') + do j = 1_pInt,6_pInt ! loop over all shearbands + !* Resolved shear stress on shearband system tau = dot_product(Tstar_v,constitutive_dislotwin_sbSv(1:6,j,ipc,ip,el)) - !* Stress ratios + !* Stress ratios StressRatio_p = (abs(tau)/constitutive_dislotwin_sbResistance(matID))**constitutive_dislotwin_p(matID) StressRatio_pminus1 = (abs(tau)/constitutive_dislotwin_sbResistance(matID))& **(constitutive_dislotwin_p(matID)-1.0_pReal) - !* Boltzmann ratio + !* Boltzmann ratio BoltzmannRatio = constitutive_dislotwin_sbQedge(matID)/(kB*Temperature) - !* Initial shear rates + !* Initial shear rates DotGamma0 = constitutive_dislotwin_sbVelocity(matID) - !* Shear rates due to slip - constitutive_dislotwin_postResults(c+j) = & + !* Shear rates due to slip + constitutive_dislotwin_postResults(c+j) = & DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**constitutive_dislotwin_q(matID))*sign(1.0_pReal,tau) - enddo - c = c + 6_pInt - case ('twin_fraction') + enddo + c = c + 6_pInt + case ('twin_fraction') constitutive_dislotwin_postResults(c+1_pInt:c+nt) = state(ipc,ip,el)%p((3_pInt*ns+1_pInt):(3_pInt*ns+nt)) - c = c + nt - case ('shear_rate_twin') - if (nt > 0_pInt) then - - j = 0_pInt - do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families + c = c + nt + case ('shear_rate_twin') + if (nt > 0_pInt) then + + j = 0_pInt + do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,structID)) ! at which index starts my family do i = 1_pInt,constitutive_dislotwin_Nslip(f,matID) ! process each (active) slip system in family - j = j + 1_pInt + j = j + 1_pInt - !* Resolved shear stress on slip system + !* Resolved shear stress on slip system tau = dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,structID)) - !* Stress ratios + !* Stress ratios StressRatio_p = (abs(tau)/state(ipc,ip,el)%p(5_pInt*ns+3_pInt*nt+j))**& constitutive_dislotwin_p(matID) StressRatio_pminus1 = (abs(tau)/state(ipc,ip,el)%p(5_pInt*ns+3_pInt*nt+j))**& (constitutive_dislotwin_p(matID)-1.0_pReal) - !* Boltzmann ratio + !* Boltzmann ratio BoltzmannRatio = constitutive_dislotwin_QedgePerSlipSystem(j,matID)/(kB*Temperature) - !* Initial shear rates - DotGamma0 = & + !* Initial shear rates + DotGamma0 = & state(ipc,ip,el)%p(j)*constitutive_dislotwin_burgersPerSlipSystem(j,matID)* & constitutive_dislotwin_v0PerSlipSystem(j,matID) - !* Shear rates due to slip - gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& + !* Shear rates due to slip + gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& constitutive_dislotwin_q(matID))*sign(1.0_pReal,tau) - enddo;enddo - - j = 0_pInt - do f = 1_pInt,lattice_maxNtwinFamily ! loop over all twin families + enddo;enddo + + j = 0_pInt + do f = 1_pInt,lattice_maxNtwinFamily ! loop over all twin families index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,structID)) ! at which index starts my family do i = 1,constitutive_dislotwin_Ntwin(f,matID) ! process each (active) twin system in family - j = j + 1_pInt + j = j + 1_pInt - !* Resolved shear stress on twin system + !* Resolved shear stress on twin system tau = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,structID)) - !* Stress ratios + !* Stress ratios StressRatio_r = (state(ipc,ip,el)%p(7_pInt*ns+4_pInt*nt+j)/tau)**constitutive_dislotwin_r(matID) - !* Shear rates due to twin - if ( tau > 0.0_pReal ) then + !* Shear rates due to twin + if ( tau > 0.0_pReal ) then select case(constitutive_dislotwin_structureName(matID)) - case ('fcc') - s1=lattice_fcc_corellationTwinSlip(1,index_myFamily+i) - s2=lattice_fcc_corellationTwinSlip(2,index_myFamily+i) + case ('fcc') + s1=lattice_fcc_corellationTwinSlip(1,index_myFamily+i) + s2=lattice_fcc_corellationTwinSlip(2,index_myFamily+i) if (tau < constitutive_dislotwin_tau_r(j,matID)) then Ndot0=(abs(gdot_slip(s1))*(state(ipc,ip,el)%p(s2)+state(ipc,ip,el)%p(ns+s2))+& abs(gdot_slip(s2))*(state(ipc,ip,el)%p(s1)+state(ipc,ip,el)%p(ns+s1)))/& @@ -1783,87 +1783,87 @@ function constitutive_dislotwin_postResults(Tstar_v,Temperature,dt,state,ipc,ip, constitutive_dislotwin_burgersPerSlipSystem(j,matID))*& (1-exp(-constitutive_dislotwin_VcrossSlip(matID)/(kB*Temperature)*& (constitutive_dislotwin_tau_r(j,matID)-tau))) - else - Ndot0=0.0_pReal - end if - case default + else + Ndot0=0.0_pReal + end if + case default Ndot0=constitutive_dislotwin_Ndot0PerTwinSystem(j,matID) - end select - constitutive_dislotwin_postResults(c+j) = & + end select + constitutive_dislotwin_postResults(c+j) = & (constitutive_dislotwin_MaxTwinFraction(matID)-sumf)*lattice_shearTwin(index_myFamily+i,structID)*& state(ipc,ip,el)%p(7_pInt*ns+5_pInt*nt+j)*Ndot0*exp(-StressRatio_r) - endif + endif - enddo ; enddo - endif - c = c + nt - case ('accumulated_shear_twin') + enddo ; enddo + endif + c = c + nt + case ('accumulated_shear_twin') constitutive_dislotwin_postResults(c+1_pInt:c+nt) = state(ipc,ip,el)%p((3_pInt*ns+nt+1_pInt):(3_pInt*ns+2_pInt*nt)) - c = c + nt - case ('mfp_twin') + c = c + nt + case ('mfp_twin') constitutive_dislotwin_postResults(c+1_pInt:c+nt) = state(ipc,ip,el)%p((6_pInt*ns+3_pInt*nt+1_pInt):(6_pInt*ns+4_pInt*nt)) - c = c + nt - case ('resolved_stress_twin') - if (nt > 0_pInt) then - j = 0_pInt - do f = 1_pInt,lattice_maxNtwinFamily ! loop over all slip families + c = c + nt + case ('resolved_stress_twin') + if (nt > 0_pInt) then + j = 0_pInt + do f = 1_pInt,lattice_maxNtwinFamily ! loop over all slip families index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,structID)) ! at which index starts my family do i = 1_pInt,constitutive_dislotwin_Ntwin(f,matID) ! process each (active) slip system in family - j = j + 1_pInt + j = j + 1_pInt constitutive_dislotwin_postResults(c+j) = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,structID)) - enddo; enddo - endif - c = c + nt - case ('threshold_stress_twin') + enddo; enddo + endif + c = c + nt + case ('threshold_stress_twin') constitutive_dislotwin_postResults(c+1_pInt:c+nt) = state(ipc,ip,el)%p((7_pInt*ns+4_pInt*nt+1_pInt):(7_pInt*ns+5_pInt*nt)) - c = c + nt - case ('stress_exponent') - j = 0_pInt - do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families + c = c + nt + case ('stress_exponent') + j = 0_pInt + do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,structID)) ! at which index starts my family do i = 1_pInt,constitutive_dislotwin_Nslip(f,matID) ! process each (active) slip system in family - j = j + 1_pInt + j = j + 1_pInt - !* Resolved shear stress on slip system + !* Resolved shear stress on slip system tau = dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,structID)) - !* Stress ratios + !* Stress ratios StressRatio_p = (abs(tau)/state(ipc,ip,el)%p(6_pInt*ns+4_pInt*nt+j))**& constitutive_dislotwin_p(matID) StressRatio_pminus1 = (abs(tau)/state(ipc,ip,el)%p(6_pInt*ns+4_pInt*nt+j))**& (constitutive_dislotwin_p(matID)-1.0_pReal) - !* Boltzmann ratio + !* Boltzmann ratio BoltzmannRatio = constitutive_dislotwin_QedgePerSlipSystem(j,matID)/(kB*Temperature) - !* Initial shear rates - DotGamma0 = & + !* Initial shear rates + DotGamma0 = & state(ipc,ip,el)%p(j)*constitutive_dislotwin_burgersPerSlipSystem(j,matID)* & constitutive_dislotwin_v0PerSlipSystem(j,matID) - !* Shear rates due to slip - gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& + !* Shear rates due to slip + gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& constitutive_dislotwin_q(matID))*sign(1.0_pReal,tau) - !* Derivatives of shear rates - dgdot_dtauslip = & - ((abs(gdot_slip(j))*BoltzmannRatio*& + !* Derivatives of shear rates + dgdot_dtauslip = & + ((abs(gdot_slip(j))*BoltzmannRatio*& constitutive_dislotwin_p(matID)*constitutive_dislotwin_q(matID))/state(ipc,ip,el)%p(6*ns+4*nt+j))*& StressRatio_pminus1*(1_pInt-StressRatio_p)**(constitutive_dislotwin_q(matID)-1.0_pReal) - !* Stress exponent - if (gdot_slip(j)==0.0_pReal) then - constitutive_dislotwin_postResults(c+j) = 0.0_pReal - else - constitutive_dislotwin_postResults(c+j) = (tau/gdot_slip(j))*dgdot_dtauslip - endif - enddo ; enddo - c = c + ns - case ('sb_eigenvalues') - forall (j = 1_pInt:3_pInt) & - constitutive_dislotwin_postResults(c+j) = eigValues(j) - c = c + 3_pInt - case ('sb_eigenvectors') - constitutive_dislotwin_postResults(c+1_pInt:c+9_pInt) = reshape(eigVectors,(/9/)) - c = c + 9_pInt - end select + !* Stress exponent + if (gdot_slip(j)==0.0_pReal) then + constitutive_dislotwin_postResults(c+j) = 0.0_pReal + else + constitutive_dislotwin_postResults(c+j) = (tau/gdot_slip(j))*dgdot_dtauslip + endif + enddo ; enddo + c = c + ns + case ('sb_eigenvalues') + forall (j = 1_pInt:3_pInt) & + constitutive_dislotwin_postResults(c+j) = eigValues(j) + c = c + 3_pInt + case ('sb_eigenvectors') + constitutive_dislotwin_postResults(c+1_pInt:c+9_pInt) = reshape(eigVectors,(/9/)) + c = c + 9_pInt + end select enddo end function constitutive_dislotwin_postResults