From 76dee8cb813c70cc251b40dbbcf871c508632ffc Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Mon, 18 Mar 2019 22:08:41 +0100 Subject: [PATCH 01/21] renaming according to paper --- src/plastic_dislotwin.f90 | 58 ++++++++++++++++++--------------------- 1 file changed, 26 insertions(+), 32 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index a54a46fbb..0499df01f 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -25,20 +25,18 @@ module plastic_dislotwin enum, bind(c) enumerator :: & undefined_ID, & - edge_density_ID, & - dipole_density_ID, & - shear_rate_slip_ID, & - accumulated_shear_slip_ID, & + rho_mob_ID, & + rho_dip_ID, & + gamma_dot_sl_ID, & + gamma_sl_ID, & mfp_slip_ID, & resolved_stress_slip_ID, & threshold_stress_slip_ID, & edge_dipole_distance_ID, & - twin_fraction_ID, & + f_tw_ID, & mfp_twin_ID, & resolved_stress_twin_ID, & threshold_stress_twin_ID, & - resolved_stress_shearband_ID, & - shear_rate_shearband_ID, & strain_trans_fraction_ID end enum @@ -94,9 +92,8 @@ module plastic_dislotwin shear_twin, & !< characteristic shear for twins B !< drag coefficient real(pReal), dimension(:,:), allocatable :: & - interaction_SlipSlip, & !< - interaction_SlipTwin, & !< - interaction_TwinSlip, & !< + h_sl_sl, & !< + h_sl_tw, & !< interaction_TwinTwin, & !< interaction_SlipTrans, & !< interaction_TransTrans !< @@ -280,9 +277,9 @@ subroutine plastic_dislotwin_init slipActive: if (prm%totalNslip > 0_pInt) then prm%Schmid_slip = lattice_SchmidMatrix_slip(prm%Nslip,config%getString('lattice_structure'),& config%getFloat('c/a',defaultVal=0.0_pReal)) - prm%interaction_SlipSlip = lattice_interaction_SlipBySlip(prm%Nslip, & - config%getFloats('interaction_slipslip'), & - config%getString('lattice_structure')) + prm%h_sl_sl = lattice_interaction_SlipBySlip(prm%Nslip, & + config%getFloats('interaction_slipslip'), & + config%getString('lattice_structure')) prm%forestProjection = lattice_forestProjection (prm%Nslip,config%getString('lattice_structure'),& config%getFloat('c/a',defaultVal=0.0_pReal)) @@ -433,12 +430,9 @@ subroutine plastic_dislotwin_init endif if (prm%totalNslip > 0_pInt .and. prm%totalNtwin > 0_pInt) then - prm%interaction_SlipTwin = lattice_interaction_SlipByTwin(prm%Nslip,prm%Ntwin,& - config%getFloats('interaction_sliptwin'), & - config%getString('lattice_structure')) - prm%interaction_TwinSlip = lattice_interaction_TwinBySlip(prm%Ntwin,prm%Nslip,& - config%getFloats('interaction_twinslip'), & - config%getString('lattice_structure')) + prm%h_sl_tw = lattice_interaction_SlipByTwin(prm%Nslip,prm%Ntwin,& + config%getFloats('interaction_sliptwin'), & + config%getString('lattice_structure')) if (prm%fccTwinTransNucleation .and. prm%totalNtwin > 12_pInt) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if ntwin is [6,6] endif @@ -496,16 +490,16 @@ subroutine plastic_dislotwin_init outputID = undefined_ID select case(outputs(i)) case ('edge_density') - outputID = merge(edge_density_ID,undefined_ID,prm%totalNslip > 0_pInt) + outputID = merge(rho_mob_ID,undefined_ID,prm%totalNslip > 0_pInt) outputSize = prm%totalNslip case ('dipole_density') - outputID = merge(dipole_density_ID,undefined_ID,prm%totalNslip > 0_pInt) + outputID = merge(rho_dip_ID,undefined_ID,prm%totalNslip > 0_pInt) outputSize = prm%totalNslip case ('shear_rate_slip','shearrate_slip') - outputID = merge(shear_rate_slip_ID,undefined_ID,prm%totalNslip > 0_pInt) + outputID = merge(gamma_dot_sl_ID,undefined_ID,prm%totalNslip > 0_pInt) outputSize = prm%totalNslip case ('accumulated_shear_slip') - outputID = merge(accumulated_shear_slip_ID,undefined_ID,prm%totalNslip > 0_pInt) + outputID = merge(gamma_sl_ID,undefined_ID,prm%totalNslip > 0_pInt) outputSize = prm%totalNslip case ('mfp_slip') outputID = merge(mfp_slip_ID,undefined_ID,prm%totalNslip > 0_pInt) @@ -518,7 +512,7 @@ subroutine plastic_dislotwin_init outputSize = prm%totalNslip case ('twin_fraction') - outputID = merge(twin_fraction_ID,undefined_ID,prm%totalNtwin >0_pInt) + outputID = merge(f_tw_ID,undefined_ID,prm%totalNtwin >0_pInt) outputSize = prm%totalNtwin case ('mfp_twin') outputID = merge(mfp_twin_ID,undefined_ID,prm%totalNtwin >0_pInt) @@ -941,7 +935,7 @@ subroutine plastic_dislotwin_dependentState(temperature,instance,of) !* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation if (prm%totalNtwin > 0_pInt .and. prm%totalNslip > 0_pInt) & dst%invLambdaSlipTwin(1_pInt:prm%totalNslip,of) = & - matmul(transpose(prm%interaction_SlipTwin),fOverStacksize)/(1.0_pReal-sumf_twin) ! ToDo: Transpose need + matmul(transpose(prm%h_sl_tw),fOverStacksize)/(1.0_pReal-sumf_twin) ! ToDo: Change order and use matmul !* 1/mean free distance between 2 twin stacks from different systems seen by a growing twin @@ -960,7 +954,7 @@ subroutine plastic_dislotwin_dependentState(temperature,instance,of) !* mean free path between 2 obstacles seen by a moving dislocation do i = 1_pInt,prm%totalNslip - if ((prm%totalNtwin > 0_pInt) .or. (prm%totalNtrans > 0_pInt)) then ! ToDo: This is too simplified + if ((prm%totalNtwin > 0_pInt) .or. (prm%totalNtrans > 0_pInt)) then ! ToDo: Change order and use matmul dst%mfp_slip(i,of) = & prm%GrainSize/(1.0_pReal+prm%GrainSize*& (dst%invLambdaSlip(i,of) + dst%invLambdaSlipTwin(i,of) + dst%invLambdaSlipTrans(i,of))) @@ -978,7 +972,7 @@ subroutine plastic_dislotwin_dependentState(temperature,instance,of) forall (i = 1_pInt:prm%totalNslip) dst%threshold_stress_slip(i,of) = & prm%mu*prm%burgers_slip(i)*& sqrt(dot_product(stt%rhoEdge(1_pInt:prm%totalNslip,of)+stt%rhoEdgeDip(1_pInt:prm%totalNslip,of),& - prm%interaction_SlipSlip(:,i))) + prm%h_sl_sl(:,i))) !* threshold stress for growing twin/martensite if(prm%totalNtwin == prm%totalNslip) & @@ -1039,16 +1033,16 @@ function plastic_dislotwin_postResults(Mp,Temperature,instance,of) result(postRe do o = 1_pInt,size(prm%outputID) select case(prm%outputID(o)) - case (edge_density_ID) + case (rho_mob_ID) postResults(c+1_pInt:c+prm%totalNslip) = stt%rhoEdge(1_pInt:prm%totalNslip,of) c = c + prm%totalNslip - case (dipole_density_ID) + case (rho_dip_ID) postResults(c+1_pInt:c+prm%totalNslip) = stt%rhoEdgeDip(1_pInt:prm%totalNslip,of) c = c + prm%totalNslip - case (shear_rate_slip_ID) + case (gamma_dot_sl_ID) call kinetics_slip(Mp,temperature,instance,of,postResults(c+1:c+prm%totalNslip)) c = c + prm%totalNslip - case (accumulated_shear_slip_ID) + case (gamma_sl_ID) postResults(c+1_pInt:c+prm%totalNslip) = stt%accshear_slip(1_pInt:prm%totalNslip,of) c = c + prm%totalNslip case (mfp_slip_ID) @@ -1063,7 +1057,7 @@ function plastic_dislotwin_postResults(Mp,Temperature,instance,of) result(postRe postResults(c+1_pInt:c+prm%totalNslip) = dst%threshold_stress_slip(1_pInt:prm%totalNslip,of) c = c + prm%totalNslip - case (twin_fraction_ID) + case (f_tw_ID) postResults(c+1_pInt:c+prm%totalNtwin) = stt%twinFraction(1_pInt:prm%totalNtwin,of) c = c + prm%totalNtwin case (mfp_twin_ID) From 3eb7f868bf307d10aaf358f88d9408ccab44fb26 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Mon, 18 Mar 2019 22:17:11 +0100 Subject: [PATCH 02/21] pInt not needed --- src/plastic_dislotwin.f90 | 251 +++++++++++++++++++------------------- 1 file changed, 125 insertions(+), 126 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 0499df01f..790b97b54 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -9,17 +9,16 @@ !-------------------------------------------------------------------------------------------------- module plastic_dislotwin use prec, only: & - pReal, & - pInt + pReal implicit none private - integer(pInt), dimension(:,:), allocatable, target, public :: & + integer, dimension(:,:), allocatable, target, public :: & plastic_dislotwin_sizePostResult !< size of each post result output - character(len=64), dimension(:,:), allocatable, target, public :: & + character(len=64), dimension(:,:), allocatable, target, public :: & plastic_dislotwin_output !< name of each post result output - real(pReal), parameter, private :: & + real(pReal), parameter, private :: & kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin enum, bind(c) @@ -70,7 +69,7 @@ module plastic_dislotwin Cmfptrans, & !< Cthresholdtrans, & !< transStackHeight !< Stack height of hex nucleus - real(pReal), dimension(:), allocatable :: & + real(pReal), dimension(:), allocatable :: & rho0, & !< initial unipolar dislocation density per slip system rhoDip0, & !< initial dipole dislocation density per slip system burgers_slip, & !< absolute length of burgers vector [m] for each slip system @@ -91,32 +90,32 @@ module plastic_dislotwin s, & !< s-exponent in trans nucleation rate shear_twin, & !< characteristic shear for twins B !< drag coefficient - real(pReal), dimension(:,:), allocatable :: & + real(pReal), dimension(:,:), allocatable :: & h_sl_sl, & !< h_sl_tw, & !< interaction_TwinTwin, & !< interaction_SlipTrans, & !< interaction_TransTrans !< - integer(pInt), dimension(:,:), allocatable :: & + integer, dimension(:,:), allocatable :: & fcc_twinNucleationSlipPair ! ToDo: Better name? Is also use for trans - real(pReal), dimension(:,:), allocatable :: & + real(pReal), dimension(:,:), allocatable :: & forestProjection, & C66 - real(pReal), dimension(:,:,:), allocatable :: & + real(pReal), dimension(:,:,:), allocatable :: & Schmid_trans, & Schmid_slip, & Schmid_twin, & C66_twin, & C66_trans - integer(pInt) :: & + integer :: & totalNslip, & !< total number of active slip system totalNtwin, & !< total number of active twin system totalNtrans !< total number of active transformation system - integer(pInt), dimension(:), allocatable :: & + integer, dimension(:), allocatable :: & Nslip, & !< number of active slip systems for each family Ntwin, & !< number of active twin systems for each family Ntrans !< number of active transformation systems for each family - integer(kind(undefined_ID)), dimension(:), allocatable :: & + integer(kind(undefined_ID)), dimension(:), allocatable :: & outputID !< ID of each post result output logical :: & fccTwinTransNucleation, & !< twinning and transformation models are for fcc @@ -124,7 +123,7 @@ module plastic_dislotwin end type !< container type for internal constitutive parameters type, private :: tDislotwinState - real(pReal), pointer, dimension(:,:) :: & + real(pReal), dimension(:,:), pointer :: & rhoEdge, & rhoEdgeDip, & accshear_slip, & @@ -133,7 +132,7 @@ module plastic_dislotwin end type tDislotwinState type, private :: tDislotwinMicrostructure - real(pReal), allocatable, dimension(:,:) :: & + real(pReal), dimension(:,:), allocatable :: & invLambdaSlip, & invLambdaSlipTwin, & invLambdaSlipTrans, & @@ -154,7 +153,7 @@ module plastic_dislotwin !-------------------------------------------------------------------------------------------------- ! containers for parameters and state type(tParameters), allocatable, dimension(:), private :: param - type(tDislotwinState), allocatable, dimension(:), private :: & + type(tDislotwinState), allocatable, dimension(:), private :: & dotState, & state type(tDislotwinMicrostructure), allocatable, dimension(:), private :: microstructure @@ -208,16 +207,16 @@ subroutine plastic_dislotwin_init use lattice implicit none - integer(pInt) :: & + integer :: & Ninstance, & p, i, & NipcMyPhase, outputSize, & sizeState, sizeDotState, & startIndex, endIndex - integer(pInt), dimension(0), parameter :: emptyIntArray = [integer(pInt)::] - real(pReal), dimension(0), parameter :: emptyRealArray = [real(pReal)::] - character(len=65536), dimension(0), parameter :: emptyStringArray = [character(len=65536)::] + integer, dimension(0), parameter :: emptyIntArray = [integer::] + real(pReal), dimension(0), parameter :: emptyRealArray = [real(pReal)::] + character(len=65536), dimension(0), parameter :: emptyStringArray = [character(len=65536)::] integer(kind(undefined_ID)) :: & outputID @@ -240,10 +239,10 @@ subroutine plastic_dislotwin_init Ninstance = count(phase_plasticity == PLASTICITY_DISLOTWIN_ID) - if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) & + if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0) & write(6,'(a16,1x,i5,/)') '# instances:',Ninstance - allocate(plastic_dislotwin_sizePostResult(maxval(phase_Noutput),Ninstance),source=0_pInt) + allocate(plastic_dislotwin_sizePostResult(maxval(phase_Noutput),Ninstance),source=0) allocate(plastic_dislotwin_output(maxval(phase_Noutput),Ninstance)) plastic_dislotwin_output = '' @@ -252,7 +251,7 @@ subroutine plastic_dislotwin_init allocate(dotState(Ninstance)) allocate(microstructure(Ninstance)) - do p = 1_pInt, size(phase_plasticity) + do p = 1, size(phase_plasticity) if (phase_plasticity(p) /= PLASTICITY_DISLOTWIN_ID) cycle associate(prm => param(phase_plasticityInstance(p)), & dot => dotState(phase_plasticityInstance(p)), & @@ -274,7 +273,7 @@ subroutine plastic_dislotwin_init ! slip related parameters prm%Nslip = config%getInts('nslip',defaultVal=emptyIntArray) prm%totalNslip = sum(prm%Nslip) - slipActive: if (prm%totalNslip > 0_pInt) then + slipActive: if (prm%totalNslip > 0) then prm%Schmid_slip = lattice_SchmidMatrix_slip(prm%Nslip,config%getString('lattice_structure'),& config%getFloat('c/a',defaultVal=0.0_pReal)) prm%h_sl_sl = lattice_interaction_SlipBySlip(prm%Nslip, & @@ -284,7 +283,7 @@ subroutine plastic_dislotwin_init config%getFloat('c/a',defaultVal=0.0_pReal)) prm%fccTwinTransNucleation = merge(.true., .false., lattice_structure(p) == LATTICE_FCC_ID) & - .and. (prm%Nslip(1) == 12_pInt) + .and. (prm%Nslip(1) == 12) if(prm%fccTwinTransNucleation) & prm%fcc_twinNucleationSlipPair = lattice_fcc_twinNucleationSlipPair @@ -341,7 +340,7 @@ subroutine plastic_dislotwin_init ! twin related parameters prm%Ntwin = config%getInts('ntwin', defaultVal=emptyIntArray) prm%totalNtwin = sum(prm%Ntwin) - if (prm%totalNtwin > 0_pInt) then + if (prm%totalNtwin > 0) then prm%Schmid_twin = lattice_SchmidMatrix_twin(prm%Ntwin,config%getString('lattice_structure'),& config%getFloat('c/a',defaultVal=0.0_pReal)) prm%interaction_TwinTwin = lattice_interaction_TwinByTwin(prm%Ntwin,& @@ -383,7 +382,7 @@ subroutine plastic_dislotwin_init ! transformation related parameters prm%Ntrans = config%getInts('ntrans', defaultVal=emptyIntArray) prm%totalNtrans = sum(prm%Ntrans) - if (prm%totalNtrans > 0_pInt) then + if (prm%totalNtrans > 0) then prm%burgers_trans = config%getFloats('transburgers') prm%burgers_trans = math_expand(prm%burgers_trans,prm%Ntrans) @@ -423,24 +422,24 @@ subroutine plastic_dislotwin_init allocate(prm%burgers_trans(0)) endif - if (sum(prm%Ntwin) > 0_pInt .or. prm%totalNtrans > 0_pInt) then + if (sum(prm%Ntwin) > 0 .or. prm%totalNtrans > 0) then prm%SFE_0K = config%getFloat('sfe_0k') prm%dSFE_dT = config%getFloat('dsfe_dt') prm%VcrossSlip = config%getFloat('vcrossslip') endif - if (prm%totalNslip > 0_pInt .and. prm%totalNtwin > 0_pInt) then + if (prm%totalNslip > 0 .and. prm%totalNtwin > 0) then prm%h_sl_tw = lattice_interaction_SlipByTwin(prm%Nslip,prm%Ntwin,& config%getFloats('interaction_sliptwin'), & config%getString('lattice_structure')) - if (prm%fccTwinTransNucleation .and. prm%totalNtwin > 12_pInt) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if ntwin is [6,6] + if (prm%fccTwinTransNucleation .and. prm%totalNtwin > 12) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if ntwin is [6,6] endif - if (prm%totalNslip > 0_pInt .and. prm%totalNtrans > 0_pInt) then + if (prm%totalNslip > 0 .and. prm%totalNtrans > 0) then prm%interaction_SlipTrans = lattice_interaction_SlipByTrans(prm%Nslip,prm%Ntrans,& config%getFloats('interaction_sliptrans'), & config%getString('lattice_structure')) - if (prm%fccTwinTransNucleation .and. prm%totalNtrans > 12_pInt) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if ntrans is [6,6] + if (prm%fccTwinTransNucleation .and. prm%totalNtrans > 12) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if ntrans is [6,6] endif !-------------------------------------------------------------------------------------------------- @@ -469,59 +468,59 @@ subroutine plastic_dislotwin_init !if (Ndot0PerTwinFamily(f,p) < 0.0_pReal) & - ! call IO_error(211_pInt,el=p,ext_msg='ndot0_twin ('//PLASTICITY_DISLOTWIN_label//')') + ! call IO_error(211,el=p,ext_msg='ndot0_twin ('//PLASTICITY_DISLOTWIN_label//')') if (any(prm%atomicVolume <= 0.0_pReal)) & - call IO_error(211_pInt,el=p,ext_msg='cAtomicVolume ('//PLASTICITY_DISLOTWIN_label//')') - if (prm%totalNtwin > 0_pInt) then + call IO_error(211,el=p,ext_msg='cAtomicVolume ('//PLASTICITY_DISLOTWIN_label//')') + if (prm%totalNtwin > 0) then if (prm%aTolRho <= 0.0_pReal) & - call IO_error(211_pInt,el=p,ext_msg='aTolRho ('//PLASTICITY_DISLOTWIN_label//')') + call IO_error(211,el=p,ext_msg='aTolRho ('//PLASTICITY_DISLOTWIN_label//')') if (prm%aTolTwinFrac <= 0.0_pReal) & - call IO_error(211_pInt,el=p,ext_msg='aTolTwinFrac ('//PLASTICITY_DISLOTWIN_label//')') + call IO_error(211,el=p,ext_msg='aTolTwinFrac ('//PLASTICITY_DISLOTWIN_label//')') endif - if (prm%totalNtrans > 0_pInt) then + if (prm%totalNtrans > 0) then if (prm%aTolTransFrac <= 0.0_pReal) & - call IO_error(211_pInt,el=p,ext_msg='aTolTransFrac ('//PLASTICITY_DISLOTWIN_label//')') + call IO_error(211,el=p,ext_msg='aTolTransFrac ('//PLASTICITY_DISLOTWIN_label//')') endif outputs = config%getStrings('(output)', defaultVal=emptyStringArray) allocate(prm%outputID(0)) - do i= 1_pInt, size(outputs) + do i= 1, size(outputs) outputID = undefined_ID select case(outputs(i)) case ('edge_density') - outputID = merge(rho_mob_ID,undefined_ID,prm%totalNslip > 0_pInt) + outputID = merge(rho_mob_ID,undefined_ID,prm%totalNslip > 0) outputSize = prm%totalNslip case ('dipole_density') - outputID = merge(rho_dip_ID,undefined_ID,prm%totalNslip > 0_pInt) + outputID = merge(rho_dip_ID,undefined_ID,prm%totalNslip > 0) outputSize = prm%totalNslip case ('shear_rate_slip','shearrate_slip') - outputID = merge(gamma_dot_sl_ID,undefined_ID,prm%totalNslip > 0_pInt) + outputID = merge(gamma_dot_sl_ID,undefined_ID,prm%totalNslip > 0) outputSize = prm%totalNslip case ('accumulated_shear_slip') - outputID = merge(gamma_sl_ID,undefined_ID,prm%totalNslip > 0_pInt) + outputID = merge(gamma_sl_ID,undefined_ID,prm%totalNslip > 0) outputSize = prm%totalNslip case ('mfp_slip') - outputID = merge(mfp_slip_ID,undefined_ID,prm%totalNslip > 0_pInt) + outputID = merge(mfp_slip_ID,undefined_ID,prm%totalNslip > 0) outputSize = prm%totalNslip case ('resolved_stress_slip') - outputID = merge(resolved_stress_slip_ID,undefined_ID,prm%totalNslip > 0_pInt) + outputID = merge(resolved_stress_slip_ID,undefined_ID,prm%totalNslip > 0) outputSize = prm%totalNslip case ('threshold_stress_slip') - outputID= merge(threshold_stress_slip_ID,undefined_ID,prm%totalNslip > 0_pInt) + outputID= merge(threshold_stress_slip_ID,undefined_ID,prm%totalNslip > 0) outputSize = prm%totalNslip case ('twin_fraction') - outputID = merge(f_tw_ID,undefined_ID,prm%totalNtwin >0_pInt) + outputID = merge(f_tw_ID,undefined_ID,prm%totalNtwin >0) outputSize = prm%totalNtwin case ('mfp_twin') - outputID = merge(mfp_twin_ID,undefined_ID,prm%totalNtwin >0_pInt) + outputID = merge(mfp_twin_ID,undefined_ID,prm%totalNtwin >0) outputSize = prm%totalNtwin case ('resolved_stress_twin') - outputID = merge(resolved_stress_twin_ID,undefined_ID,prm%totalNtwin >0_pInt) + outputID = merge(resolved_stress_twin_ID,undefined_ID,prm%totalNtwin >0) outputSize = prm%totalNtwin case ('threshold_stress_twin') - outputID = merge(threshold_stress_twin_ID,undefined_ID,prm%totalNtwin >0_pInt) + outputID = merge(threshold_stress_twin_ID,undefined_ID,prm%totalNtwin >0) outputSize = prm%totalNtwin case ('strain_trans_fraction') @@ -541,33 +540,33 @@ subroutine plastic_dislotwin_init !-------------------------------------------------------------------------------------------------- ! allocate state arrays NipcMyPhase = count(material_phase == p) - sizeDotState = int(size(['rho ','rhoDip ','accshearslip']),pInt) * prm%totalNslip & - + int(size(['twinFraction']),pInt) * prm%totalNtwin & - + int(size(['strainTransFraction']),pInt) * prm%totalNtrans + sizeDotState = size(['rho ','rhoDip ','accshearslip']) * prm%totalNslip & + + size(['twinFraction']) * prm%totalNtwin & + + size(['strainTransFraction']) * prm%totalNtrans sizeState = sizeDotState - call material_allocatePlasticState(p,NipcMyPhase,sizeState,sizeDotState,0_pInt, & + call material_allocatePlasticState(p,NipcMyPhase,sizeState,sizeDotState,0, & prm%totalNslip,prm%totalNtwin,prm%totalNtrans) plasticState(p)%sizePostResults = sum(plastic_dislotwin_sizePostResult(:,phase_plasticityInstance(p))) !-------------------------------------------------------------------------------------------------- ! locally defined state aliases and initialization of state0 and aTolState - startIndex = 1_pInt + startIndex = 1 endIndex = prm%totalNslip stt%rhoEdge=>plasticState(p)%state(startIndex:endIndex,:) stt%rhoEdge= spread(prm%rho0,2,NipcMyPhase) dot%rhoEdge=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho - startIndex = endIndex + 1_pInt + startIndex = endIndex + 1 endIndex = endIndex + prm%totalNslip stt%rhoEdgeDip=>plasticState(p)%state(startIndex:endIndex,:) stt%rhoEdgeDip= spread(prm%rhoDip0,2,NipcMyPhase) dot%rhoEdgeDip=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho - startIndex = endIndex + 1_pInt + startIndex = endIndex + 1 endIndex = endIndex + prm%totalNslip stt%accshear_slip=>plasticState(p)%state(startIndex:endIndex,:) dot%accshear_slip=>plasticState(p)%dotState(startIndex:endIndex,:) @@ -576,13 +575,13 @@ subroutine plastic_dislotwin_init plasticState(p)%slipRate => plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%accumulatedSlip => plasticState(p)%state(startIndex:endIndex,:) - startIndex = endIndex + 1_pInt + startIndex = endIndex + 1 endIndex = endIndex + prm%totalNtwin stt%twinFraction=>plasticState(p)%state(startIndex:endIndex,:) dot%twinFraction=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolTwinFrac - startIndex = endIndex + 1_pInt + startIndex = endIndex + 1 endIndex = endIndex + prm%totalNtrans stt%strainTransFraction=>plasticState(p)%state(startIndex:endIndex,:) dot%strainTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:) @@ -628,12 +627,12 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el) result(homogenizedC) implicit none real(pReal), dimension(6,6) :: & homogenizedC - integer(pInt), intent(in) :: & + integer, intent(in) :: & ipc, & !< component-ID of integration point ip, & !< integration point el !< element - integer(pInt) :: i, & + integer :: i, & of real(pReal) :: f_unrotated @@ -642,15 +641,15 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el) result(homogenizedC) stt => state(phase_plasticityInstance(material_phase(ipc,ip,el)))) f_unrotated = 1.0_pReal & - - sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) & - - sum(stt%strainTransFraction(1_pInt:prm%totalNtrans,of)) + - sum(stt%twinFraction(1:prm%totalNtwin,of)) & + - sum(stt%strainTransFraction(1:prm%totalNtrans,of)) homogenizedC = f_unrotated * prm%C66 - do i=1_pInt,prm%totalNtwin + do i=1,prm%totalNtwin homogenizedC = homogenizedC & + stt%twinFraction(i,of)*prm%C66_twin(1:6,1:6,i) enddo - do i=1_pInt,prm%totalNtrans + do i=1,prm%totalNtrans homogenizedC = homogenizedC & + stt%strainTransFraction(i,of)*prm%C66_trans(1:6,1:6,i) enddo @@ -678,10 +677,10 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,instance, real(pReal), dimension(3,3), intent(out) :: Lp real(pReal), dimension(3,3,3,3), intent(out) :: dLp_dMp real(pReal), dimension(3,3), intent(in) :: Mp - integer(pInt), intent(in) :: instance,of + integer, intent(in) :: instance,of real(pReal), intent(in) :: Temperature - integer(pInt) :: i,k,l,m,n + integer :: i,k,l,m,n real(pReal) :: f_unrotated,StressRatio_p,& BoltzmannRatio, & dgdot_dtau, & @@ -719,16 +718,16 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,instance, associate(prm => param(instance), stt => state(instance), dst => microstructure(instance)) f_unrotated = 1.0_pReal & - - sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) & - - sum(stt%strainTransFraction(1_pInt:prm%totalNtrans,of)) + - sum(stt%twinFraction(1:prm%totalNtwin,of)) & + - sum(stt%strainTransFraction(1:prm%totalNtrans,of)) Lp = 0.0_pReal dLp_dMp = 0.0_pReal call kinetics_slip(Mp,temperature,instance,of,gdot_slip,dgdot_dtau_slip) - slipContribution: do i = 1_pInt, prm%totalNslip + slipContribution: do i = 1, prm%totalNslip Lp = Lp + gdot_slip(i)*prm%Schmid_slip(1:3,1:3,i) - forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & + forall (k=1:3,l=1:3,m=1:3,n=1:3) & dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & + dgdot_dtau_slip(i) * prm%Schmid_slip(k,l,i) * prm%Schmid_slip(m,n,i) enddo slipContribution @@ -742,20 +741,20 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,instance, BoltzmannRatio = prm%sbQedge/(kB*Temperature) call math_eigenValuesVectorsSym(Mp,eigValues,eigVectors,error) - do i = 1_pInt,6_pInt + do i = 1,6 Schmid_shearBand = 0.5_pReal * math_outer(math_mul33x3(eigVectors,sb_sComposition(1:3,i)),& math_mul33x3(eigVectors,sb_mComposition(1:3,i))) tau = math_mul33xx33(Mp,Schmid_shearBand) significantShearBandStress: if (abs(tau) > tol_math_check) then StressRatio_p = (abs(tau)/prm%sbResistance)**prm%pShearBand - gdot_sb = sign(prm%sbVelocity*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**prm%qShearBand), tau) + gdot_sb = sign(prm%sbVelocity*exp(-BoltzmannRatio*(1-StressRatio_p)**prm%qShearBand), tau) dgdot_dtau = abs(gdot_sb)*BoltzmannRatio* prm%pShearBand*prm%qShearBand/ prm%sbResistance & * (abs(tau)/prm%sbResistance)**(prm%pShearBand-1.0_pReal) & * (1.0_pReal-StressRatio_p)**(prm%qShearBand-1.0_pReal) Lp = Lp + gdot_sb * Schmid_shearBand - forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & + forall (k=1:3,l=1:3,m=1:3,n=1:3) & dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & + dgdot_dtau * Schmid_shearBand(k,l) * Schmid_shearBand(m,n) endif significantShearBandStress @@ -764,17 +763,17 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,instance, endif shearBandingContribution call kinetics_twin(Mp,temperature,gdot_slip,instance,of,gdot_twin,dgdot_dtau_twin) - twinContibution: do i = 1_pInt, prm%totalNtwin + twinContibution: do i = 1, prm%totalNtwin Lp = Lp + gdot_twin(i)*prm%Schmid_twin(1:3,1:3,i) * f_unrotated - forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & + forall (k=1:3,l=1:3,m=1:3,n=1:3) & dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & + dgdot_dtau_twin(i)* prm%Schmid_twin(k,l,i)*prm%Schmid_twin(m,n,i) * f_unrotated enddo twinContibution call kinetics_twin(Mp,temperature,gdot_slip,instance,of,gdot_trans,dgdot_dtau_trans) - transContibution: do i = 1_pInt, prm%totalNtrans + transContibution: do i = 1, prm%totalNtrans Lp = Lp + gdot_trans(i)*prm%Schmid_trans(1:3,1:3,i) * f_unrotated - forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & + forall (k=1:3,l=1:3,m=1:3,n=1:3) & dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & + dgdot_dtau_trans(i)* prm%Schmid_trans(k,l,i)*prm%Schmid_trans(m,n,i) * f_unrotated enddo transContibution @@ -804,11 +803,11 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of) Mp !< Mandel stress real(pReal), intent(in) :: & temperature !< temperature at integration point - integer(pInt), intent(in) :: & + integer, intent(in) :: & instance, & of - integer(pInt) :: i + integer :: i real(pReal) :: f_unrotated,& VacancyDiffusion,& EdgeDipDistance, ClimbVelocity,DotRhoEdgeDipClimb,DotRhoEdgeDipAnnihilation, & @@ -827,8 +826,8 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of) dot => dotstate(instance), dst => microstructure(instance)) f_unrotated = 1.0_pReal & - - sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) & - - sum(stt%strainTransFraction(1_pInt:prm%totalNtrans,of)) + - sum(stt%twinFraction(1:prm%totalNtwin,of)) & + - sum(stt%strainTransFraction(1:prm%totalNtrans,of)) VacancyDiffusion = prm%D0*exp(-prm%Qsd/(kB*Temperature)) call kinetics_slip(Mp,temperature,instance,of,gdot_slip) @@ -837,7 +836,7 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of) DotRhoMultiplication = abs(gdot_slip)/(prm%burgers_slip*dst%mfp_slip(:,of)) EdgeDipMinDistance = prm%CEdgeDipMinDistance*prm%burgers_slip - slipState: do i = 1_pInt, prm%totalNslip + slipState: do i = 1, prm%totalNslip tau = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,i)) significantSlipStress: if (dEq0(tau)) then @@ -895,13 +894,13 @@ subroutine plastic_dislotwin_dependentState(temperature,instance,of) PI implicit none - integer(pInt), intent(in) :: & + integer, intent(in) :: & instance, & of real(pReal), intent(in) :: & temperature - integer(pInt) :: & + integer :: & i real(pReal) :: & sumf_twin,SFE,sumf_trans @@ -921,40 +920,40 @@ subroutine plastic_dislotwin_dependentState(temperature,instance,of) SFE = prm%SFE_0K + prm%dSFE_dT * Temperature !* rescaled volume fraction for topology - fOverStacksize = stt%twinFraction(1_pInt:prm%totalNtwin,of)/prm%twinsize !ToDo: this is per system + fOverStacksize = stt%twinFraction(1:prm%totalNtwin,of)/prm%twinsize !ToDo: this is per system ftransOverLamellarSize = sumf_trans/prm%lamellarsize !ToDo: But this not ... !Todo: Physically ok, but naming could be adjusted !* 1/mean free distance between 2 forest dislocations seen by a moving dislocation - forall (i = 1_pInt:prm%totalNslip) & + forall (i = 1:prm%totalNslip) & dst%invLambdaSlip(i,of) = & - sqrt(dot_product((stt%rhoEdge(1_pInt:prm%totalNslip,of)+stt%rhoEdgeDip(1_pInt:prm%totalNslip,of)),& + sqrt(dot_product((stt%rhoEdge(1:prm%totalNslip,of)+stt%rhoEdgeDip(1:prm%totalNslip,of)),& prm%forestProjection(1:prm%totalNslip,i)))/prm%CLambdaSlip(i) !* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation - if (prm%totalNtwin > 0_pInt .and. prm%totalNslip > 0_pInt) & - dst%invLambdaSlipTwin(1_pInt:prm%totalNslip,of) = & + if (prm%totalNtwin > 0 .and. prm%totalNslip > 0) & + dst%invLambdaSlipTwin(1:prm%totalNslip,of) = & matmul(transpose(prm%h_sl_tw),fOverStacksize)/(1.0_pReal-sumf_twin) ! ToDo: Change order and use matmul !* 1/mean free distance between 2 twin stacks from different systems seen by a growing twin - !ToDo: needed? if (prm%totalNtwin > 0_pInt) & - dst%invLambdaTwin(1_pInt:prm%totalNtwin,of) = matmul(prm%interaction_TwinTwin,fOverStacksize)/(1.0_pReal-sumf_twin) + !ToDo: needed? if (prm%totalNtwin > 0) & + dst%invLambdaTwin(1:prm%totalNtwin,of) = matmul(prm%interaction_TwinTwin,fOverStacksize)/(1.0_pReal-sumf_twin) !* 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation - if (prm%totalNtrans > 0_pInt .and. prm%totalNslip > 0_pInt) & - dst%invLambdaSlipTrans(1_pInt:prm%totalNslip,of) = & ! ToDo: does not work if Ntrans is not 12 + if (prm%totalNtrans > 0 .and. prm%totalNslip > 0) & + dst%invLambdaSlipTrans(1:prm%totalNslip,of) = & ! ToDo: does not work if Ntrans is not 12 matmul(transpose(prm%interaction_SlipTrans),ftransOverLamellarSize)/(1.0_pReal-sumf_trans) ! ToDo: Transpose needed !* 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite (1/lambda_trans) - !ToDo: needed? if (prm%totalNtrans > 0_pInt) & - dst%invLambdaTrans(1_pInt:prm%totalNtrans,of) = matmul(prm%interaction_TransTrans,ftransOverLamellarSize)/(1.0_pReal-sumf_trans) + !ToDo: needed? if (prm%totalNtrans > 0) & + dst%invLambdaTrans(1:prm%totalNtrans,of) = matmul(prm%interaction_TransTrans,ftransOverLamellarSize)/(1.0_pReal-sumf_trans) !* mean free path between 2 obstacles seen by a moving dislocation - do i = 1_pInt,prm%totalNslip - if ((prm%totalNtwin > 0_pInt) .or. (prm%totalNtrans > 0_pInt)) then ! ToDo: Change order and use matmul + do i = 1,prm%totalNslip + if ((prm%totalNtwin > 0) .or. (prm%totalNtrans > 0)) then ! ToDo: Change order and use matmul dst%mfp_slip(i,of) = & prm%GrainSize/(1.0_pReal+prm%GrainSize*& (dst%invLambdaSlip(i,of) + dst%invLambdaSlipTwin(i,of) + dst%invLambdaSlipTrans(i,of))) @@ -969,9 +968,9 @@ subroutine plastic_dislotwin_dependentState(temperature,instance,of) dst%mfp_trans(:,of) = prm%Cmfptrans*prm%GrainSize/(1.0_pReal+prm%GrainSize*dst%invLambdaTrans(:,of)) !* threshold stress for dislocation motion - forall (i = 1_pInt:prm%totalNslip) dst%threshold_stress_slip(i,of) = & + forall (i = 1:prm%totalNslip) dst%threshold_stress_slip(i,of) = & prm%mu*prm%burgers_slip(i)*& - sqrt(dot_product(stt%rhoEdge(1_pInt:prm%totalNslip,of)+stt%rhoEdgeDip(1_pInt:prm%totalNslip,of),& + sqrt(dot_product(stt%rhoEdge(1:prm%totalNslip,of)+stt%rhoEdgeDip(1:prm%totalNslip,of),& prm%h_sl_sl(:,i))) !* threshold stress for growing twin/martensite @@ -1016,64 +1015,64 @@ function plastic_dislotwin_postResults(Mp,Temperature,instance,of) result(postRe Mp !< 2nd Piola Kirchhoff stress tensor in Mandel notation real(pReal), intent(in) :: & temperature !< temperature at integration point - integer(pInt), intent(in) :: & + integer, intent(in) :: & instance, & of real(pReal), dimension(sum(plastic_dislotwin_sizePostResult(:,instance))) :: & postResults - integer(pInt) :: & + integer :: & o,c,j associate(prm => param(instance), stt => state(instance), dst => microstructure(instance)) - c = 0_pInt + c = 0 - do o = 1_pInt,size(prm%outputID) + do o = 1,size(prm%outputID) select case(prm%outputID(o)) case (rho_mob_ID) - postResults(c+1_pInt:c+prm%totalNslip) = stt%rhoEdge(1_pInt:prm%totalNslip,of) + postResults(c+1:c+prm%totalNslip) = stt%rhoEdge(1:prm%totalNslip,of) c = c + prm%totalNslip case (rho_dip_ID) - postResults(c+1_pInt:c+prm%totalNslip) = stt%rhoEdgeDip(1_pInt:prm%totalNslip,of) + postResults(c+1:c+prm%totalNslip) = stt%rhoEdgeDip(1:prm%totalNslip,of) c = c + prm%totalNslip case (gamma_dot_sl_ID) call kinetics_slip(Mp,temperature,instance,of,postResults(c+1:c+prm%totalNslip)) c = c + prm%totalNslip case (gamma_sl_ID) - postResults(c+1_pInt:c+prm%totalNslip) = stt%accshear_slip(1_pInt:prm%totalNslip,of) + postResults(c+1:c+prm%totalNslip) = stt%accshear_slip(1:prm%totalNslip,of) c = c + prm%totalNslip case (mfp_slip_ID) - postResults(c+1_pInt:c+prm%totalNslip) = dst%mfp_slip(1_pInt:prm%totalNslip,of) + postResults(c+1:c+prm%totalNslip) = dst%mfp_slip(1:prm%totalNslip,of) c = c + prm%totalNslip case (resolved_stress_slip_ID) - do j = 1_pInt, prm%totalNslip + do j = 1, prm%totalNslip postResults(c+j) = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,j)) enddo c = c + prm%totalNslip case (threshold_stress_slip_ID) - postResults(c+1_pInt:c+prm%totalNslip) = dst%threshold_stress_slip(1_pInt:prm%totalNslip,of) + postResults(c+1:c+prm%totalNslip) = dst%threshold_stress_slip(1:prm%totalNslip,of) c = c + prm%totalNslip case (f_tw_ID) - postResults(c+1_pInt:c+prm%totalNtwin) = stt%twinFraction(1_pInt:prm%totalNtwin,of) + postResults(c+1:c+prm%totalNtwin) = stt%twinFraction(1:prm%totalNtwin,of) c = c + prm%totalNtwin case (mfp_twin_ID) - postResults(c+1_pInt:c+prm%totalNtwin) = dst%mfp_twin(1_pInt:prm%totalNtwin,of) + postResults(c+1:c+prm%totalNtwin) = dst%mfp_twin(1:prm%totalNtwin,of) c = c + prm%totalNtwin case (resolved_stress_twin_ID) - do j = 1_pInt, prm%totalNtwin + do j = 1, prm%totalNtwin postResults(c+j) = math_mul33xx33(Mp,prm%Schmid_twin(1:3,1:3,j)) enddo c = c + prm%totalNtwin case (threshold_stress_twin_ID) - postResults(c+1_pInt:c+prm%totalNtwin) = dst%threshold_stress_twin(1_pInt:prm%totalNtwin,of) + postResults(c+1:c+prm%totalNtwin) = dst%threshold_stress_twin(1:prm%totalNtwin,of) c = c + prm%totalNtwin case (strain_trans_fraction_ID) - postResults(c+1_pInt:c+prm%totalNtrans) = stt%strainTransFraction(1_pInt:prm%totalNtrans,of) + postResults(c+1:c+prm%totalNtrans) = stt%strainTransFraction(1:prm%totalNtrans,of) c = c + prm%totalNtrans end select enddo @@ -1096,7 +1095,7 @@ subroutine plastic_dislotwin_results(instance,group) integer :: o associate(prm => param(instance), stt => state(instance)) - outputsLoop: do o = 1_pInt,size(prm%outputID) + outputsLoop: do o = 1,size(prm%outputID) select case(prm%outputID(o)) end select enddo outputsLoop @@ -1129,7 +1128,7 @@ pure subroutine kinetics_slip(Mp,Temperature,instance,of, & Mp !< Mandel stress real(pReal), intent(in) :: & temperature !< temperature - integer(pInt), intent(in) :: & + integer, intent(in) :: & instance, & of @@ -1152,11 +1151,11 @@ pure subroutine kinetics_slip(Mp,Temperature,instance,of, & dV_run_inverse_dTau, & dV_dTau, & tau_eff !< effective resolved stress - integer(pInt) :: i + integer :: i associate(prm => param(instance), stt => state(instance), dst => microstructure(instance)) - do i = 1_pInt, prm%totalNslip + do i = 1, prm%totalNslip tau(i) = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,i)) enddo @@ -1208,7 +1207,7 @@ pure subroutine kinetics_twin(Mp,temperature,gdot_slip,instance,of,& Mp !< Mandel stress real(pReal), intent(in) :: & temperature !< temperature - integer(pInt), intent(in) :: & + integer, intent(in) :: & instance, & of real(pReal), dimension(param(instance)%totalNslip), intent(in) :: & @@ -1225,11 +1224,11 @@ pure subroutine kinetics_twin(Mp,temperature,gdot_slip,instance,of,& stressRatio_r, & dgdot_dtau - integer(pInt) :: i,s1,s2 + integer :: i,s1,s2 associate(prm => param(instance), stt => state(instance), dst => microstructure(instance)) - do i = 1_pInt, prm%totalNtwin + do i = 1, prm%totalNtwin tau(i) = math_mul33xx33(Mp,prm%Schmid_twin(1:3,1:3,i)) isFCC: if (prm%fccTwinTransNucleation) then s1=prm%fcc_twinNucleationSlipPair(1,i) @@ -1280,7 +1279,7 @@ pure subroutine kinetics_trans(Mp,temperature,gdot_slip,instance,of,& Mp !< Mandel stress real(pReal), intent(in) :: & temperature !< temperature - integer(pInt), intent(in) :: & + integer, intent(in) :: & instance, & of real(pReal), dimension(param(instance)%totalNslip), intent(in) :: & @@ -1297,11 +1296,11 @@ pure subroutine kinetics_trans(Mp,temperature,gdot_slip,instance,of,& stressRatio_s, & dgdot_dtau - integer(pInt) :: i,s1,s2 + integer :: i,s1,s2 associate(prm => param(instance), stt => state(instance), dst => microstructure(instance)) - do i = 1_pInt, prm%totalNtrans + do i = 1, prm%totalNtrans tau(i) = math_mul33xx33(Mp,prm%Schmid_trans(1:3,1:3,i)) isFCC: if (prm%fccTwinTransNucleation) then s1=prm%fcc_twinNucleationSlipPair(1,i) From 5f85a65fe6c713e036c79ce45d597dd2603d728a Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Mon, 18 Mar 2019 22:24:45 +0100 Subject: [PATCH 03/21] shorter name, inline with the paper --- src/plastic_dislotwin.f90 | 112 +++++++++++++++++++------------------- 1 file changed, 56 insertions(+), 56 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 790b97b54..5ea4049c3 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -93,7 +93,7 @@ module plastic_dislotwin real(pReal), dimension(:,:), allocatable :: & h_sl_sl, & !< h_sl_tw, & !< - interaction_TwinTwin, & !< + h_tw_tw, & !< interaction_SlipTrans, & !< interaction_TransTrans !< integer, dimension(:,:), allocatable :: & @@ -112,8 +112,8 @@ module plastic_dislotwin totalNtwin, & !< total number of active twin system totalNtrans !< total number of active transformation system integer, dimension(:), allocatable :: & - Nslip, & !< number of active slip systems for each family - Ntwin, & !< number of active twin systems for each family + N_sl, & !< number of active slip systems for each family + N_tw, & !< number of active twin systems for each family Ntrans !< number of active transformation systems for each family integer(kind(undefined_ID)), dimension(:), allocatable :: & outputID !< ID of each post result output @@ -271,34 +271,34 @@ subroutine plastic_dislotwin_init !-------------------------------------------------------------------------------------------------- ! slip related parameters - prm%Nslip = config%getInts('nslip',defaultVal=emptyIntArray) - prm%totalNslip = sum(prm%Nslip) + prm%N_sl = config%getInts('nslip',defaultVal=emptyIntArray) + prm%totalNslip = sum(prm%N_sl) slipActive: if (prm%totalNslip > 0) then - prm%Schmid_slip = lattice_SchmidMatrix_slip(prm%Nslip,config%getString('lattice_structure'),& + prm%Schmid_slip = lattice_SchmidMatrix_slip(prm%N_sl,config%getString('lattice_structure'),& config%getFloat('c/a',defaultVal=0.0_pReal)) - prm%h_sl_sl = lattice_interaction_SlipBySlip(prm%Nslip, & + prm%h_sl_sl = lattice_interaction_SlipBySlip(prm%N_sl, & config%getFloats('interaction_slipslip'), & config%getString('lattice_structure')) - prm%forestProjection = lattice_forestProjection (prm%Nslip,config%getString('lattice_structure'),& + prm%forestProjection = lattice_forestProjection (prm%N_sl,config%getString('lattice_structure'),& config%getFloat('c/a',defaultVal=0.0_pReal)) prm%fccTwinTransNucleation = merge(.true., .false., lattice_structure(p) == LATTICE_FCC_ID) & - .and. (prm%Nslip(1) == 12) + .and. (prm%N_sl(1) == 12) if(prm%fccTwinTransNucleation) & prm%fcc_twinNucleationSlipPair = lattice_fcc_twinNucleationSlipPair - prm%rho0 = config%getFloats('rhoedge0', requiredSize=size(prm%Nslip)) !ToDo: rename to rho_0 - prm%rhoDip0 = config%getFloats('rhoedgedip0',requiredSize=size(prm%Nslip)) !ToDo: rename to rho_dip_0 - prm%v0 = config%getFloats('v0', requiredSize=size(prm%Nslip)) - prm%burgers_slip = config%getFloats('slipburgers',requiredSize=size(prm%Nslip)) - prm%Qedge = config%getFloats('qedge', requiredSize=size(prm%Nslip)) !ToDo: rename (ask Karo) - prm%CLambdaSlip = config%getFloats('clambdaslip',requiredSize=size(prm%Nslip)) - prm%p = config%getFloats('p_slip', requiredSize=size(prm%Nslip)) - prm%q = config%getFloats('q_slip', requiredSize=size(prm%Nslip)) - prm%B = config%getFloats('b', requiredSize=size(prm%Nslip), & - defaultVal=[(0.0_pReal, i=1,size(prm%Nslip))]) - prm%tau_peierls = config%getFloats('tau_peierls',requiredSize=size(prm%Nslip), & - defaultVal=[(0.0_pReal, i=1,size(prm%Nslip))]) ! Deprecated + prm%rho0 = config%getFloats('rhoedge0', requiredSize=size(prm%N_sl)) !ToDo: rename to rho_0 + prm%rhoDip0 = config%getFloats('rhoedgedip0',requiredSize=size(prm%N_sl)) !ToDo: rename to rho_dip_0 + prm%v0 = config%getFloats('v0', requiredSize=size(prm%N_sl)) + prm%burgers_slip = config%getFloats('slipburgers',requiredSize=size(prm%N_sl)) + prm%Qedge = config%getFloats('qedge', requiredSize=size(prm%N_sl)) !ToDo: rename (ask Karo) + prm%CLambdaSlip = config%getFloats('clambdaslip',requiredSize=size(prm%N_sl)) + prm%p = config%getFloats('p_slip', requiredSize=size(prm%N_sl)) + prm%q = config%getFloats('q_slip', requiredSize=size(prm%N_sl)) + prm%B = config%getFloats('b', requiredSize=size(prm%N_sl), & + defaultVal=[(0.0_pReal, i=1,size(prm%N_sl))]) + prm%tau_peierls = config%getFloats('tau_peierls',requiredSize=size(prm%N_sl), & + defaultVal=[(0.0_pReal, i=1,size(prm%N_sl))]) ! Deprecated prm%CEdgeDipMinDistance = config%getFloat('cedgedipmindistance') prm%D0 = config%getFloat('d0') @@ -306,17 +306,17 @@ subroutine plastic_dislotwin_init prm%atomicVolume = config%getFloat('catomicvolume') * prm%burgers_slip**3.0_pReal ! expand: family => system - prm%rho0 = math_expand(prm%rho0, prm%Nslip) - prm%rhoDip0 = math_expand(prm%rhoDip0, prm%Nslip) - prm%v0 = math_expand(prm%v0, prm%Nslip) - prm%burgers_slip = math_expand(prm%burgers_slip,prm%Nslip) - prm%Qedge = math_expand(prm%Qedge, prm%Nslip) - prm%CLambdaSlip = math_expand(prm%CLambdaSlip, prm%Nslip) - prm%p = math_expand(prm%p, prm%Nslip) - prm%q = math_expand(prm%q, prm%Nslip) - prm%B = math_expand(prm%B, prm%Nslip) - prm%tau_peierls = math_expand(prm%tau_peierls, prm%Nslip) - prm%atomicVolume = math_expand(prm%atomicVolume,prm%Nslip) + prm%rho0 = math_expand(prm%rho0, prm%N_sl) + prm%rhoDip0 = math_expand(prm%rhoDip0, prm%N_sl) + prm%v0 = math_expand(prm%v0, prm%N_sl) + prm%burgers_slip = math_expand(prm%burgers_slip,prm%N_sl) + prm%Qedge = math_expand(prm%Qedge, prm%N_sl) + prm%CLambdaSlip = math_expand(prm%CLambdaSlip, prm%N_sl) + prm%p = math_expand(prm%p, prm%N_sl) + prm%q = math_expand(prm%q, prm%N_sl) + prm%B = math_expand(prm%B, prm%N_sl) + prm%tau_peierls = math_expand(prm%tau_peierls, prm%N_sl) + prm%atomicVolume = math_expand(prm%atomicVolume,prm%N_sl) ! sanity checks if ( prm%D0 <= 0.0_pReal) extmsg = trim(extmsg)//' D0' @@ -338,39 +338,39 @@ subroutine plastic_dislotwin_init !-------------------------------------------------------------------------------------------------- ! twin related parameters - prm%Ntwin = config%getInts('ntwin', defaultVal=emptyIntArray) - prm%totalNtwin = sum(prm%Ntwin) + prm%N_tw = config%getInts('ntwin', defaultVal=emptyIntArray) + prm%totalNtwin = sum(prm%N_tw) if (prm%totalNtwin > 0) then - prm%Schmid_twin = lattice_SchmidMatrix_twin(prm%Ntwin,config%getString('lattice_structure'),& - config%getFloat('c/a',defaultVal=0.0_pReal)) - prm%interaction_TwinTwin = lattice_interaction_TwinByTwin(prm%Ntwin,& - config%getFloats('interaction_twintwin'), & - config%getString('lattice_structure')) + prm%Schmid_twin = lattice_SchmidMatrix_twin(prm%N_tw,config%getString('lattice_structure'),& + config%getFloat('c/a',defaultVal=0.0_pReal)) + prm%h_tw_tw = lattice_interaction_TwinByTwin(prm%N_tw,& + config%getFloats('interaction_twintwin'), & + config%getString('lattice_structure')) - prm%burgers_twin = config%getFloats('twinburgers', requiredSize=size(prm%Ntwin)) - prm%twinsize = config%getFloats('twinsize', requiredSize=size(prm%Ntwin)) - prm%r = config%getFloats('r_twin', requiredSize=size(prm%Ntwin)) + prm%burgers_twin = config%getFloats('twinburgers', requiredSize=size(prm%N_tw)) + prm%twinsize = config%getFloats('twinsize', requiredSize=size(prm%N_tw)) + prm%r = config%getFloats('r_twin', requiredSize=size(prm%N_tw)) prm%xc_twin = config%getFloat('xc_twin') prm%L0_twin = config%getFloat('l0_twin') prm%Cthresholdtwin = config%getFloat('cthresholdtwin', defaultVal=0.0_pReal) prm%Cmfptwin = config%getFloat('cmfptwin', defaultVal=0.0_pReal) ! ToDo: How to handle that??? - prm%shear_twin = lattice_characteristicShear_Twin(prm%Ntwin,config%getString('lattice_structure'),& + prm%shear_twin = lattice_characteristicShear_Twin(prm%N_tw,config%getString('lattice_structure'),& config%getFloat('c/a',defaultVal=0.0_pReal)) - prm%C66_twin = lattice_C66_twin(prm%Ntwin,prm%C66,config%getString('lattice_structure'),& + prm%C66_twin = lattice_C66_twin(prm%N_tw,prm%C66,config%getString('lattice_structure'),& config%getFloat('c/a',defaultVal=0.0_pReal)) if (.not. prm%fccTwinTransNucleation) then prm%Ndot0_twin = config%getFloats('ndot0_twin') - prm%Ndot0_twin = math_expand(prm%Ndot0_twin,prm%Ntwin) + prm%Ndot0_twin = math_expand(prm%Ndot0_twin,prm%N_tw) endif ! expand: family => system - prm%burgers_twin = math_expand(prm%burgers_twin,prm%Ntwin) - prm%twinsize = math_expand(prm%twinsize,prm%Ntwin) - prm%r = math_expand(prm%r,prm%Ntwin) + prm%burgers_twin = math_expand(prm%burgers_twin,prm%N_tw) + prm%twinsize = math_expand(prm%twinsize,prm%N_tw) + prm%r = math_expand(prm%r,prm%N_tw) else allocate(prm%twinsize(0)) @@ -422,21 +422,21 @@ subroutine plastic_dislotwin_init allocate(prm%burgers_trans(0)) endif - if (sum(prm%Ntwin) > 0 .or. prm%totalNtrans > 0) then + if (sum(prm%N_tw) > 0 .or. prm%totalNtrans > 0) then prm%SFE_0K = config%getFloat('sfe_0k') prm%dSFE_dT = config%getFloat('dsfe_dt') prm%VcrossSlip = config%getFloat('vcrossslip') endif if (prm%totalNslip > 0 .and. prm%totalNtwin > 0) then - prm%h_sl_tw = lattice_interaction_SlipByTwin(prm%Nslip,prm%Ntwin,& + prm%h_sl_tw = lattice_interaction_SlipByTwin(prm%N_sl,prm%N_tw,& config%getFloats('interaction_sliptwin'), & config%getString('lattice_structure')) - if (prm%fccTwinTransNucleation .and. prm%totalNtwin > 12) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if ntwin is [6,6] + if (prm%fccTwinTransNucleation .and. prm%totalNtwin > 12) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if N_tw is [6,6] endif if (prm%totalNslip > 0 .and. prm%totalNtrans > 0) then - prm%interaction_SlipTrans = lattice_interaction_SlipByTrans(prm%Nslip,prm%Ntrans,& + prm%interaction_SlipTrans = lattice_interaction_SlipByTrans(prm%N_sl,prm%Ntrans,& config%getFloats('interaction_sliptrans'), & config%getString('lattice_structure')) if (prm%fccTwinTransNucleation .and. prm%totalNtrans > 12) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if ntrans is [6,6] @@ -813,13 +813,13 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of) EdgeDipDistance, ClimbVelocity,DotRhoEdgeDipClimb,DotRhoEdgeDipAnnihilation, & DotRhoDipFormation,DotRhoEdgeEdgeAnnihilation, & tau - real(pReal), dimension(plasticState(instance)%Nslip) :: & + real(pReal), dimension(param(instance)%totalNslip) :: & EdgeDipMinDistance, & DotRhoMultiplication, & gdot_slip - real(pReal), dimension(plasticState(instance)%Ntwin) :: & + real(pReal), dimension(param(instance)%totalNtwin) :: & gdot_twin - real(pReal), dimension(plasticState(instance)%Ntrans) :: & + real(pReal), dimension(param(instance)%totalNtrans) :: & gdot_trans associate(prm => param(instance), stt => state(instance), & @@ -939,7 +939,7 @@ subroutine plastic_dislotwin_dependentState(temperature,instance,of) !* 1/mean free distance between 2 twin stacks from different systems seen by a growing twin !ToDo: needed? if (prm%totalNtwin > 0) & - dst%invLambdaTwin(1:prm%totalNtwin,of) = matmul(prm%interaction_TwinTwin,fOverStacksize)/(1.0_pReal-sumf_twin) + dst%invLambdaTwin(1:prm%totalNtwin,of) = matmul(prm%h_tw_tw,fOverStacksize)/(1.0_pReal-sumf_twin) !* 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation From 7d40d13b4c682bc155144a45c2309dbff04544aa Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Mon, 18 Mar 2019 22:44:54 +0100 Subject: [PATCH 04/21] simplifying --- src/plastic_dislotwin.f90 | 83 +++++++++++++++++++-------------------- 1 file changed, 41 insertions(+), 42 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 5ea4049c3..5d2eab95e 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -70,11 +70,11 @@ module plastic_dislotwin Cthresholdtrans, & !< transStackHeight !< Stack height of hex nucleus real(pReal), dimension(:), allocatable :: & - rho0, & !< initial unipolar dislocation density per slip system - rhoDip0, & !< initial dipole dislocation density per slip system - burgers_slip, & !< absolute length of burgers vector [m] for each slip system - burgers_twin, & !< absolute length of burgers vector [m] for each slip system - burgers_trans, & !< absolute length of burgers vector [m] for each twin system + rho_mob_0, & !< initial unipolar dislocation density per slip system + rho_dip_0, & !< initial dipole dislocation density per slip system + b_sl, & !< absolute length of burgers vector [m] for each slip system + b_tw, & !< absolute length of burgers vector [m] for each twin system + burgers_trans, & !< absolute length of burgers vector [m] for each transformation system Qedge,& !< activation energy for glide [J] for each slip system v0, & !< dislocation velocity prefactor [m/s] for each slip system tau_peierls,& !< Peierls stress [Pa] for each slip system @@ -287,10 +287,10 @@ subroutine plastic_dislotwin_init if(prm%fccTwinTransNucleation) & prm%fcc_twinNucleationSlipPair = lattice_fcc_twinNucleationSlipPair - prm%rho0 = config%getFloats('rhoedge0', requiredSize=size(prm%N_sl)) !ToDo: rename to rho_0 - prm%rhoDip0 = config%getFloats('rhoedgedip0',requiredSize=size(prm%N_sl)) !ToDo: rename to rho_dip_0 + prm%rho_mob_0 = config%getFloats('rhoedge0', requiredSize=size(prm%N_sl)) + prm%rho_dip_0 = config%getFloats('rhoedgedip0',requiredSize=size(prm%N_sl)) prm%v0 = config%getFloats('v0', requiredSize=size(prm%N_sl)) - prm%burgers_slip = config%getFloats('slipburgers',requiredSize=size(prm%N_sl)) + prm%b_sl = config%getFloats('slipburgers',requiredSize=size(prm%N_sl)) prm%Qedge = config%getFloats('qedge', requiredSize=size(prm%N_sl)) !ToDo: rename (ask Karo) prm%CLambdaSlip = config%getFloats('clambdaslip',requiredSize=size(prm%N_sl)) prm%p = config%getFloats('p_slip', requiredSize=size(prm%N_sl)) @@ -303,13 +303,13 @@ subroutine plastic_dislotwin_init prm%CEdgeDipMinDistance = config%getFloat('cedgedipmindistance') prm%D0 = config%getFloat('d0') prm%Qsd = config%getFloat('qsd') - prm%atomicVolume = config%getFloat('catomicvolume') * prm%burgers_slip**3.0_pReal + prm%atomicVolume = config%getFloat('catomicvolume') * prm%b_sl**3.0_pReal ! expand: family => system - prm%rho0 = math_expand(prm%rho0, prm%N_sl) - prm%rhoDip0 = math_expand(prm%rhoDip0, prm%N_sl) + prm%rho_mob_0 = math_expand(prm%rho_mob_0, prm%N_sl) + prm%rho_dip_0 = math_expand(prm%rho_dip_0, prm%N_sl) prm%v0 = math_expand(prm%v0, prm%N_sl) - prm%burgers_slip = math_expand(prm%burgers_slip,prm%N_sl) + prm%b_sl = math_expand(prm%b_sl,prm%N_sl) prm%Qedge = math_expand(prm%Qedge, prm%N_sl) prm%CLambdaSlip = math_expand(prm%CLambdaSlip, prm%N_sl) prm%p = math_expand(prm%p, prm%N_sl) @@ -321,10 +321,10 @@ subroutine plastic_dislotwin_init ! sanity checks if ( prm%D0 <= 0.0_pReal) extmsg = trim(extmsg)//' D0' if ( prm%Qsd <= 0.0_pReal) extmsg = trim(extmsg)//' Qsd' - if (any(prm%rho0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho0' - if (any(prm%rhoDip0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoDip0' + if (any(prm%rho_mob_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_mob_0' + if (any(prm%rho_dip_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_dip_0' if (any(prm%v0 < 0.0_pReal)) extmsg = trim(extmsg)//' v0' - if (any(prm%burgers_slip <= 0.0_pReal)) extmsg = trim(extmsg)//' burgers_slip' + if (any(prm%b_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' b_sl' if (any(prm%Qedge <= 0.0_pReal)) extmsg = trim(extmsg)//' Qedge' if (any(prm%CLambdaSlip <= 0.0_pReal)) extmsg = trim(extmsg)//' CLambdaSlip' if (any(prm%B < 0.0_pReal)) extmsg = trim(extmsg)//' B' @@ -333,7 +333,7 @@ subroutine plastic_dislotwin_init if (any(prm%q< 1.0_pReal .or. prm%q>2.0_pReal)) extmsg = trim(extmsg)//' q' else slipActive - allocate(prm%burgers_slip(0)) + allocate(prm%b_sl(0)) endif slipActive !-------------------------------------------------------------------------------------------------- @@ -347,9 +347,9 @@ subroutine plastic_dislotwin_init config%getFloats('interaction_twintwin'), & config%getString('lattice_structure')) - prm%burgers_twin = config%getFloats('twinburgers', requiredSize=size(prm%N_tw)) + prm%b_tw = config%getFloats('twinburgers', requiredSize=size(prm%N_tw)) prm%twinsize = config%getFloats('twinsize', requiredSize=size(prm%N_tw)) - prm%r = config%getFloats('r_twin', requiredSize=size(prm%N_tw)) + prm%r = config%getFloats('r_twin', requiredSize=size(prm%N_tw)) prm%xc_twin = config%getFloat('xc_twin') prm%L0_twin = config%getFloat('l0_twin') @@ -357,10 +357,10 @@ subroutine plastic_dislotwin_init prm%Cmfptwin = config%getFloat('cmfptwin', defaultVal=0.0_pReal) ! ToDo: How to handle that??? prm%shear_twin = lattice_characteristicShear_Twin(prm%N_tw,config%getString('lattice_structure'),& - config%getFloat('c/a',defaultVal=0.0_pReal)) + config%getFloat('c/a',defaultVal=0.0_pReal)) prm%C66_twin = lattice_C66_twin(prm%N_tw,prm%C66,config%getString('lattice_structure'),& - config%getFloat('c/a',defaultVal=0.0_pReal)) + config%getFloat('c/a',defaultVal=0.0_pReal)) if (.not. prm%fccTwinTransNucleation) then prm%Ndot0_twin = config%getFloats('ndot0_twin') @@ -368,13 +368,13 @@ subroutine plastic_dislotwin_init endif ! expand: family => system - prm%burgers_twin = math_expand(prm%burgers_twin,prm%N_tw) + prm%b_tw = math_expand(prm%b_tw,prm%N_tw) prm%twinsize = math_expand(prm%twinsize,prm%N_tw) prm%r = math_expand(prm%r,prm%N_tw) else allocate(prm%twinsize(0)) - allocate(prm%burgers_twin(0)) + allocate(prm%b_tw(0)) allocate(prm%r(0)) endif @@ -555,14 +555,14 @@ subroutine plastic_dislotwin_init startIndex = 1 endIndex = prm%totalNslip stt%rhoEdge=>plasticState(p)%state(startIndex:endIndex,:) - stt%rhoEdge= spread(prm%rho0,2,NipcMyPhase) + stt%rhoEdge= spread(prm%rho_mob_0,2,NipcMyPhase) dot%rhoEdge=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho startIndex = endIndex + 1 endIndex = endIndex + prm%totalNslip stt%rhoEdgeDip=>plasticState(p)%state(startIndex:endIndex,:) - stt%rhoEdgeDip= spread(prm%rhoDip0,2,NipcMyPhase) + stt%rhoEdgeDip= spread(prm%rho_dip_0,2,NipcMyPhase) dot%rhoEdgeDip=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho @@ -833,8 +833,8 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of) call kinetics_slip(Mp,temperature,instance,of,gdot_slip) dot%accshear_slip(:,of) = abs(gdot_slip) - DotRhoMultiplication = abs(gdot_slip)/(prm%burgers_slip*dst%mfp_slip(:,of)) - EdgeDipMinDistance = prm%CEdgeDipMinDistance*prm%burgers_slip + DotRhoMultiplication = abs(gdot_slip)/(prm%b_sl*dst%mfp_slip(:,of)) + EdgeDipMinDistance = prm%CEdgeDipMinDistance*prm%b_sl slipState: do i = 1, prm%totalNslip tau = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,i)) @@ -843,12 +843,12 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of) DotRhoDipFormation = 0.0_pReal DotRhoEdgeDipClimb = 0.0_pReal else significantSlipStress - EdgeDipDistance = 3.0_pReal*prm%mu*prm%burgers_slip(i)/(16.0_pReal*PI*abs(tau)) + EdgeDipDistance = 3.0_pReal*prm%mu*prm%b_sl(i)/(16.0_pReal*PI*abs(tau)) EdgeDipDistance = math_clip(EdgeDipDistance, right = dst%mfp_slip(i,of)) EdgeDipDistance = math_clip(EdgeDipDistance, left = EdgeDipMinDistance(i)) if (prm%dipoleFormation) then - DotRhoDipFormation = 2.0_pReal*(EdgeDipDistance-EdgeDipMinDistance(i))/prm%burgers_slip(i) & + DotRhoDipFormation = 2.0_pReal*(EdgeDipDistance-EdgeDipMinDistance(i))/prm%b_sl(i) & * stt%rhoEdge(i,of)*abs(gdot_slip(i)) else DotRhoDipFormation = 0.0_pReal @@ -865,10 +865,10 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of) endif significantSlipStress !* Spontaneous annihilation of 2 single edge dislocations - DotRhoEdgeEdgeAnnihilation = 2.0_pReal*EdgeDipMinDistance(i)/prm%burgers_slip(i) & + DotRhoEdgeEdgeAnnihilation = 2.0_pReal*EdgeDipMinDistance(i)/prm%b_sl(i) & * stt%rhoEdge(i,of)*abs(gdot_slip(i)) !* Spontaneous annihilation of a single edge dislocation with a dipole constituent - DotRhoEdgeDipAnnihilation = 2.0_pReal*EdgeDipMinDistance(i)/prm%burgers_slip(i) & + DotRhoEdgeDipAnnihilation = 2.0_pReal*EdgeDipMinDistance(i)/prm%b_sl(i) & * stt%rhoEdgeDip(i,of)*abs(gdot_slip(i)) dot%rhoEdge(i,of) = DotRhoMultiplication(i)-DotRhoDipFormation-DotRhoEdgeEdgeAnnihilation @@ -969,29 +969,28 @@ subroutine plastic_dislotwin_dependentState(temperature,instance,of) !* threshold stress for dislocation motion forall (i = 1:prm%totalNslip) dst%threshold_stress_slip(i,of) = & - prm%mu*prm%burgers_slip(i)*& + prm%mu*prm%b_sl(i)*& sqrt(dot_product(stt%rhoEdge(1:prm%totalNslip,of)+stt%rhoEdgeDip(1:prm%totalNslip,of),& prm%h_sl_sl(:,i))) !* threshold stress for growing twin/martensite if(prm%totalNtwin == prm%totalNslip) & dst%threshold_stress_twin(:,of) = prm%Cthresholdtwin* & - (SFE/(3.0_pReal*prm%burgers_twin)+ 3.0_pReal*prm%burgers_twin*prm%mu/ & - (prm%L0_twin*prm%burgers_slip)) ! slip burgers here correct? + (SFE/(3.0_pReal*prm%b_tw)+ 3.0_pReal*prm%b_tw*prm%mu/(prm%L0_twin*prm%b_sl)) ! slip burgers here correct? if(prm%totalNtrans == prm%totalNslip) & dst%threshold_stress_trans(:,of) = prm%Cthresholdtrans* & (SFE/(3.0_pReal*prm%burgers_trans) + 3.0_pReal*prm%burgers_trans*prm%mu/& - (prm%L0_trans*prm%burgers_slip) + prm%transStackHeight*prm%deltaG/ (3.0_pReal*prm%burgers_trans) ) + (prm%L0_trans*prm%b_sl) + prm%transStackHeight*prm%deltaG/ (3.0_pReal*prm%burgers_trans) ) dst%twinVolume(:,of) = (PI/4.0_pReal)*prm%twinsize*dst%mfp_twin(:,of)**2.0_pReal dst%martensiteVolume(:,of) = (PI/4.0_pReal)*prm%lamellarsize*dst%mfp_trans(:,of)**2.0_pReal - x0 = prm%mu*prm%burgers_twin**2.0_pReal/(SFE*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) - dst%tau_r_twin(:,of) = prm%mu*prm%burgers_twin/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%xc_twin)+cos(pi/3.0_pReal)/x0) + x0 = prm%mu*prm%b_tw**2.0_pReal/(SFE*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) ! ToDo: In the paper, this is the burgers vector for slip + dst%tau_r_twin(:,of) = prm%mu*prm%b_tw/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%xc_twin)+cos(pi/3.0_pReal)/x0) - x0 = prm%mu*prm%burgers_trans**2.0_pReal/(SFE*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) + x0 = prm%mu*prm%burgers_trans**2.0_pReal/(SFE*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) ! ToDo: In the paper, this is the burgers vector for slip dst%tau_r_trans(:,of) = prm%mu*prm%burgers_trans/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%xc_trans)+cos(pi/3.0_pReal)/x0) end associate @@ -1166,9 +1165,9 @@ pure subroutine kinetics_slip(Mp,Temperature,instance,of, & StressRatio_p = stressRatio** prm%p BoltzmannRatio = prm%Qedge/(kB*Temperature) v_wait_inverse = prm%v0**(-1.0_pReal) * exp(BoltzmannRatio*(1.0_pReal-StressRatio_p)** prm%q) - v_run_inverse = prm%B/(tau_eff*prm%burgers_slip) + v_run_inverse = prm%B/(tau_eff*prm%b_sl) - gdot_slip = sign(stt%rhoEdge(:,of)*prm%burgers_slip/(v_wait_inverse+v_run_inverse),tau) + gdot_slip = sign(stt%rhoEdge(:,of)*prm%b_sl/(v_wait_inverse+v_run_inverse),tau) dV_wait_inverse_dTau = v_wait_inverse * prm%p * prm%q * BoltzmannRatio & * (stressRatio**(prm%p-1.0_pReal)) & @@ -1177,7 +1176,7 @@ pure subroutine kinetics_slip(Mp,Temperature,instance,of, & dV_run_inverse_dTau = v_run_inverse/tau_eff dV_dTau = (dV_wait_inverse_dTau+dV_run_inverse_dTau) & / (v_wait_inverse+v_run_inverse)**2.0_pReal - dgdot_dtau = dV_dTau*stt%rhoEdge(:,of)*prm%burgers_slip + dgdot_dtau = dV_dTau*stt%rhoEdge(:,of)*prm%b_sl else where significantStress gdot_slip = 0.0_pReal dgdot_dtau = 0.0_pReal @@ -1236,7 +1235,7 @@ pure subroutine kinetics_twin(Mp,temperature,gdot_slip,instance,of,& if (tau(i) < dst%tau_r_twin(i,of)) then Ndot0=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& ! ToDo: MD: it would be more consistent to use shearrates from state - (prm%L0_twin*prm%burgers_slip(i))*& + (prm%L0_twin*prm%b_sl(i))*& (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& (dst%tau_r_twin(i,of)-tau))) else @@ -1308,7 +1307,7 @@ pure subroutine kinetics_trans(Mp,temperature,gdot_slip,instance,of,& if (tau(i) < dst%tau_r_trans(i,of)) then Ndot0=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& ! ToDo: MD: it would be more consistent to use shearrates from state - (prm%L0_trans*prm%burgers_slip(i))*& + (prm%L0_trans*prm%b_sl(i))*& (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& (dst%tau_r_trans(i,of)-tau))) else From d9e497bdd8db09e2e9e75915707a588aaf1db894 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Tue, 19 Mar 2019 06:21:40 +0100 Subject: [PATCH 05/21] prefactors were not used/not mentioned in the paper --- src/plastic_dislotwin.f90 | 22 +++++++++------------- 1 file changed, 9 insertions(+), 13 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 5d2eab95e..af5b36940 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -50,7 +50,6 @@ module plastic_dislotwin qShearBand, & !< q-exponent in shear band velocity CEdgeDipMinDistance, & !< Cmfptwin, & !< - Cthresholdtwin, & !< SolidSolutionStrength, & ! param(instance), stt => state(instance), dst => microstructure(instance)) + associate(prm => param(instance), stt => state(instance)) f_unrotated = 1.0_pReal & - sum(stt%twinFraction(1:prm%totalNtwin,of)) & @@ -968,17 +964,17 @@ subroutine plastic_dislotwin_dependentState(temperature,instance,of) dst%mfp_trans(:,of) = prm%Cmfptrans*prm%GrainSize/(1.0_pReal+prm%GrainSize*dst%invLambdaTrans(:,of)) !* threshold stress for dislocation motion - forall (i = 1:prm%totalNslip) dst%threshold_stress_slip(i,of) = & + forall (i = 1:prm%totalNslip) dst%tau_pass(i,of) = & prm%mu*prm%b_sl(i)*& sqrt(dot_product(stt%rhoEdge(1:prm%totalNslip,of)+stt%rhoEdgeDip(1:prm%totalNslip,of),& prm%h_sl_sl(:,i))) !* threshold stress for growing twin/martensite if(prm%totalNtwin == prm%totalNslip) & - dst%threshold_stress_twin(:,of) = prm%Cthresholdtwin* & - (SFE/(3.0_pReal*prm%b_tw)+ 3.0_pReal*prm%b_tw*prm%mu/(prm%L0_twin*prm%b_sl)) ! slip burgers here correct? + dst%threshold_stress_twin(:,of) = & + (SFE/(3.0_pReal*prm%b_tw)+ 3.0_pReal*prm%b_tw*prm%mu/(prm%L0_twin*prm%b_sl)) ! slip burgers here correct? if(prm%totalNtrans == prm%totalNslip) & - dst%threshold_stress_trans(:,of) = prm%Cthresholdtrans* & + dst%threshold_stress_trans(:,of) = & (SFE/(3.0_pReal*prm%burgers_trans) + 3.0_pReal*prm%burgers_trans*prm%mu/& (prm%L0_trans*prm%b_sl) + prm%transStackHeight*prm%deltaG/ (3.0_pReal*prm%burgers_trans) ) @@ -1052,7 +1048,7 @@ function plastic_dislotwin_postResults(Mp,Temperature,instance,of) result(postRe enddo c = c + prm%totalNslip case (threshold_stress_slip_ID) - postResults(c+1:c+prm%totalNslip) = dst%threshold_stress_slip(1:prm%totalNslip,of) + postResults(c+1:c+prm%totalNslip) = dst%tau_pass(1:prm%totalNslip,of) c = c + prm%totalNslip case (f_tw_ID) @@ -1158,7 +1154,7 @@ pure subroutine kinetics_slip(Mp,Temperature,instance,of, & tau(i) = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,i)) enddo - tau_eff = abs(tau)-dst%threshold_stress_slip(:,of) + tau_eff = abs(tau)-dst%tau_pass(:,of) significantStress: where(tau_eff > tol_math_check) stressRatio = tau_eff/(prm%SolidSolutionStrength+prm%tau_peierls) From d22f41eeaab4e343ca7b29e2478c940b1a39cf2e Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Tue, 19 Mar 2019 06:25:21 +0100 Subject: [PATCH 06/21] better readable --- src/plastic_dislotwin.f90 | 32 ++++++++++++++++---------------- 1 file changed, 16 insertions(+), 16 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index af5b36940..800b96f2c 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -61,9 +61,9 @@ module plastic_dislotwin sbQedge, & !< value for shearband systems Qedge SFE_0K, & !< stacking fault energy at zero K dSFE_dT, & !< temperature dependance of stacking fault energy - aTolRho, & !< absolute tolerance for integration of dislocation density - aTolTwinFrac, & !< absolute tolerance for integration of twin volume fraction - aTolTransFrac, & !< absolute tolerance for integration of trans volume fraction + aTol_rho, & !< absolute tolerance for integration of dislocation density + aTol_f_tw, & !< absolute tolerance for integration of twin volume fraction + aTol_f_tr, & !< absolute tolerance for integration of trans volume fraction deltaG, & !< Free energy difference between austensite and martensite Cmfptrans, & !< transStackHeight !< Stack height of hex nucleus @@ -257,9 +257,9 @@ subroutine plastic_dislotwin_init dst => microstructure(phase_plasticityInstance(p)), & config => config_phase(p)) - prm%aTolRho = config%getFloat('atol_rho', defaultVal=0.0_pReal) - prm%aTolTwinFrac = config%getFloat('atol_twinfrac', defaultVal=0.0_pReal) - prm%aTolTransFrac = config%getFloat('atol_transfrac', defaultVal=0.0_pReal) + prm%aTol_rho = config%getFloat('atol_rho', defaultVal=0.0_pReal) + prm%aTol_f_tw = config%getFloat('atol_twinfrac', defaultVal=0.0_pReal) + prm%aTol_f_tr = config%getFloat('atol_transfrac', defaultVal=0.0_pReal) ! This data is read in already in lattice prm%mu = lattice_mu(p) @@ -469,14 +469,14 @@ subroutine plastic_dislotwin_init if (any(prm%atomicVolume <= 0.0_pReal)) & call IO_error(211,el=p,ext_msg='cAtomicVolume ('//PLASTICITY_DISLOTWIN_label//')') if (prm%totalNtwin > 0) then - if (prm%aTolRho <= 0.0_pReal) & - call IO_error(211,el=p,ext_msg='aTolRho ('//PLASTICITY_DISLOTWIN_label//')') - if (prm%aTolTwinFrac <= 0.0_pReal) & - call IO_error(211,el=p,ext_msg='aTolTwinFrac ('//PLASTICITY_DISLOTWIN_label//')') + if (prm%aTol_rho <= 0.0_pReal) & + call IO_error(211,el=p,ext_msg='aTol_rho ('//PLASTICITY_DISLOTWIN_label//')') + if (prm%aTol_f_tw <= 0.0_pReal) & + call IO_error(211,el=p,ext_msg='aTol_f_tw ('//PLASTICITY_DISLOTWIN_label//')') endif if (prm%totalNtrans > 0) then - if (prm%aTolTransFrac <= 0.0_pReal) & - call IO_error(211,el=p,ext_msg='aTolTransFrac ('//PLASTICITY_DISLOTWIN_label//')') + if (prm%aTol_f_tr <= 0.0_pReal) & + call IO_error(211,el=p,ext_msg='aTol_f_tr ('//PLASTICITY_DISLOTWIN_label//')') endif outputs = config%getStrings('(output)', defaultVal=emptyStringArray) @@ -553,14 +553,14 @@ subroutine plastic_dislotwin_init stt%rhoEdge=>plasticState(p)%state(startIndex:endIndex,:) stt%rhoEdge= spread(prm%rho_mob_0,2,NipcMyPhase) dot%rhoEdge=>plasticState(p)%dotState(startIndex:endIndex,:) - plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho + plasticState(p)%aTolState(startIndex:endIndex) = prm%aTol_rho startIndex = endIndex + 1 endIndex = endIndex + prm%totalNslip stt%rhoEdgeDip=>plasticState(p)%state(startIndex:endIndex,:) stt%rhoEdgeDip= spread(prm%rho_dip_0,2,NipcMyPhase) dot%rhoEdgeDip=>plasticState(p)%dotState(startIndex:endIndex,:) - plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho + plasticState(p)%aTolState(startIndex:endIndex) = prm%aTol_rho startIndex = endIndex + 1 endIndex = endIndex + prm%totalNslip @@ -575,13 +575,13 @@ subroutine plastic_dislotwin_init endIndex = endIndex + prm%totalNtwin stt%twinFraction=>plasticState(p)%state(startIndex:endIndex,:) dot%twinFraction=>plasticState(p)%dotState(startIndex:endIndex,:) - plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolTwinFrac + plasticState(p)%aTolState(startIndex:endIndex) = prm%aTol_f_tw startIndex = endIndex + 1 endIndex = endIndex + prm%totalNtrans stt%strainTransFraction=>plasticState(p)%state(startIndex:endIndex,:) dot%strainTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:) - plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolTransFrac + plasticState(p)%aTolState(startIndex:endIndex) = prm%aTol_f_tr allocate(dst%invLambdaSlip (prm%totalNslip, NipcMyPhase),source=0.0_pReal) allocate(dst%invLambdaSlipTwin (prm%totalNslip, NipcMyPhase),source=0.0_pReal) From 1b53040f5e0c36b0647555b8500d53596601fdeb Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Tue, 19 Mar 2019 06:48:12 +0100 Subject: [PATCH 07/21] intermediate results should not be stored --- src/plastic_dislotwin.f90 | 116 +++++++++++++++++++------------------- 1 file changed, 57 insertions(+), 59 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 800b96f2c..fc04ebc2f 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -112,7 +112,7 @@ module plastic_dislotwin integer, dimension(:), allocatable :: & N_sl, & !< number of active slip systems for each family N_tw, & !< number of active twin systems for each family - Ntrans !< number of active transformation systems for each family + N_tr !< number of active transformation systems for each family integer(kind(undefined_ID)), dimension(:), allocatable :: & outputID !< ID of each post result output logical :: & @@ -131,14 +131,9 @@ module plastic_dislotwin type, private :: tDislotwinMicrostructure real(pReal), dimension(:,:), allocatable :: & - invLambdaSlip, & - invLambdaSlipTwin, & - invLambdaSlipTrans, & - invLambdaTwin, & - invLambdaTrans, & - mfp_slip, & - mfp_twin, & - mfp_trans, & + Lambda_sl, & !* mean free path between 2 obstacles seen by a moving dislocation + Lambda_tw, & !* mean free path between 2 obstacles seen by a growing twin + Lambda_tr, &!* mean free path between 2 obstacles seen by a growing martensite tau_pass, & threshold_stress_twin, & threshold_stress_trans, & @@ -377,11 +372,11 @@ subroutine plastic_dislotwin_init !-------------------------------------------------------------------------------------------------- ! transformation related parameters - prm%Ntrans = config%getInts('ntrans', defaultVal=emptyIntArray) - prm%totalNtrans = sum(prm%Ntrans) + prm%N_tr = config%getInts('ntrans', defaultVal=emptyIntArray) + prm%totalNtrans = sum(prm%N_tr) if (prm%totalNtrans > 0) then prm%burgers_trans = config%getFloats('transburgers') - prm%burgers_trans = math_expand(prm%burgers_trans,prm%Ntrans) + prm%burgers_trans = math_expand(prm%burgers_trans,prm%N_tr) prm%transStackHeight = config%getFloat('transstackheight', defaultVal=0.0_pReal) ! ToDo: How to handle that??? prm%Cmfptrans = config%getFloat('cmfptrans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? @@ -389,17 +384,17 @@ subroutine plastic_dislotwin_init prm%xc_trans = config%getFloat('xc_trans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? prm%L0_trans = config%getFloat('l0_trans') - prm%interaction_TransTrans = lattice_interaction_TransByTrans(prm%Ntrans,& + prm%interaction_TransTrans = lattice_interaction_TransByTrans(prm%N_tr,& config%getFloats('interaction_transtrans'), & config%getString('lattice_structure')) - prm%C66_trans = lattice_C66_trans(prm%Ntrans,prm%C66, & + prm%C66_trans = lattice_C66_trans(prm%N_tr,prm%C66, & config%getString('trans_lattice_structure'), & 0.0_pReal, & config%getFloat('a_bcc', defaultVal=0.0_pReal), & config%getFloat('a_fcc', defaultVal=0.0_pReal)) - prm%Schmid_trans = lattice_SchmidMatrix_trans(prm%Ntrans, & + prm%Schmid_trans = lattice_SchmidMatrix_trans(prm%N_tr, & config%getString('trans_lattice_structure'), & 0.0_pReal, & config%getFloat('a_bcc', defaultVal=0.0_pReal), & @@ -407,12 +402,12 @@ subroutine plastic_dislotwin_init if (lattice_structure(p) /= LATTICE_fcc_ID) then prm%Ndot0_trans = config%getFloats('ndot0_trans') - prm%Ndot0_trans = math_expand(prm%Ndot0_trans,prm%Ntrans) + prm%Ndot0_trans = math_expand(prm%Ndot0_trans,prm%N_tr) endif prm%lamellarsize = config%getFloats('lamellarsize') - prm%lamellarsize = math_expand(prm%lamellarsize,prm%Ntrans) + prm%lamellarsize = math_expand(prm%lamellarsize,prm%N_tr) prm%s = config%getFloats('s_trans',defaultVal=[0.0_pReal]) - prm%s = math_expand(prm%s,prm%Ntrans) + prm%s = math_expand(prm%s,prm%N_tr) else allocate(prm%lamellarsize(0)) allocate(prm%burgers_trans(0)) @@ -432,10 +427,10 @@ subroutine plastic_dislotwin_init endif if (prm%totalNslip > 0 .and. prm%totalNtrans > 0) then - prm%interaction_SlipTrans = lattice_interaction_SlipByTrans(prm%N_sl,prm%Ntrans,& + prm%interaction_SlipTrans = lattice_interaction_SlipByTrans(prm%N_sl,prm%N_tr,& config%getFloats('interaction_sliptrans'), & config%getString('lattice_structure')) - if (prm%fccTwinTransNucleation .and. prm%totalNtrans > 12) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if ntrans is [6,6] + if (prm%fccTwinTransNucleation .and. prm%totalNtrans > 12) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if N_tr is [6,6] endif !-------------------------------------------------------------------------------------------------- @@ -583,20 +578,15 @@ subroutine plastic_dislotwin_init dot%strainTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTol_f_tr - allocate(dst%invLambdaSlip (prm%totalNslip, NipcMyPhase),source=0.0_pReal) - allocate(dst%invLambdaSlipTwin (prm%totalNslip, NipcMyPhase),source=0.0_pReal) - allocate(dst%invLambdaSlipTrans (prm%totalNslip, NipcMyPhase),source=0.0_pReal) - allocate(dst%mfp_slip (prm%totalNslip, NipcMyPhase),source=0.0_pReal) + allocate(dst%Lambda_sl (prm%totalNslip, NipcMyPhase),source=0.0_pReal) allocate(dst%tau_pass (prm%totalNslip, NipcMyPhase),source=0.0_pReal) - allocate(dst%invLambdaTwin (prm%totalNtwin, NipcMyPhase),source=0.0_pReal) - allocate(dst%mfp_twin (prm%totalNtwin, NipcMyPhase),source=0.0_pReal) + allocate(dst%Lambda_tw (prm%totalNtwin, NipcMyPhase),source=0.0_pReal) allocate(dst%threshold_stress_twin (prm%totalNtwin, NipcMyPhase),source=0.0_pReal) allocate(dst%tau_r_twin (prm%totalNtwin, NipcMyPhase),source=0.0_pReal) allocate(dst%twinVolume (prm%totalNtwin, NipcMyPhase),source=0.0_pReal) - allocate(dst%invLambdaTrans (prm%totalNtrans,NipcMyPhase),source=0.0_pReal) - allocate(dst%mfp_trans (prm%totalNtrans,NipcMyPhase),source=0.0_pReal) + allocate(dst%Lambda_tr (prm%totalNtrans,NipcMyPhase),source=0.0_pReal) allocate(dst%threshold_stress_trans(prm%totalNtrans,NipcMyPhase),source=0.0_pReal) allocate(dst%tau_r_trans (prm%totalNtrans,NipcMyPhase),source=0.0_pReal) allocate(dst%martensiteVolume (prm%totalNtrans,NipcMyPhase),source=0.0_pReal) @@ -629,7 +619,7 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el) result(homogenizedC) el !< element integer :: i, & - of + of real(pReal) :: f_unrotated of = phasememberAt(ipc,ip,el) @@ -829,7 +819,7 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of) call kinetics_slip(Mp,temperature,instance,of,gdot_slip) dot%accshear_slip(:,of) = abs(gdot_slip) - DotRhoMultiplication = abs(gdot_slip)/(prm%b_sl*dst%mfp_slip(:,of)) + DotRhoMultiplication = abs(gdot_slip)/(prm%b_sl*dst%Lambda_sl(:,of)) EdgeDipMinDistance = prm%CEdgeDipMinDistance*prm%b_sl slipState: do i = 1, prm%totalNslip @@ -840,7 +830,7 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of) DotRhoEdgeDipClimb = 0.0_pReal else significantSlipStress EdgeDipDistance = 3.0_pReal*prm%mu*prm%b_sl(i)/(16.0_pReal*PI*abs(tau)) - EdgeDipDistance = math_clip(EdgeDipDistance, right = dst%mfp_slip(i,of)) + EdgeDipDistance = math_clip(EdgeDipDistance, right = dst%Lambda_sl(i,of)) EdgeDipDistance = math_clip(EdgeDipDistance, left = EdgeDipMinDistance(i)) if (prm%dipoleFormation) then @@ -900,6 +890,15 @@ subroutine plastic_dislotwin_dependentState(temperature,instance,of) i real(pReal) :: & sumf_twin,SFE,sumf_trans + real(pReal), dimension(param(instance)%totalNtwin) :: & + lambda_sl_sl_inv, & !* 1/mean free distance between 2 forest dislocations seen by a moving dislocation + lambda_sl_tw_inv, & !* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation + lambda_sl_tr_inv !* 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation + real(pReal), dimension(param(instance)%totalNtrans) :: & + lambda_tw_tw_inv !* 1/mean free distance between 2 twin stacks from different systems seen by a growing twin + real(pReal), dimension(param(instance)%totalNslip) :: & + lambda_tr_tr_inv !* 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite (1/lambda_trans) + real(pReal), dimension(:), allocatable :: & x0, & fOverStacksize, & @@ -921,47 +920,46 @@ subroutine plastic_dislotwin_dependentState(temperature,instance,of) !Todo: Physically ok, but naming could be adjusted - !* 1/mean free distance between 2 forest dislocations seen by a moving dislocation forall (i = 1:prm%totalNslip) & - dst%invLambdaSlip(i,of) = & + lambda_sl_sl_inv = & sqrt(dot_product((stt%rhoEdge(1:prm%totalNslip,of)+stt%rhoEdgeDip(1:prm%totalNslip,of)),& - prm%forestProjection(1:prm%totalNslip,i)))/prm%CLambdaSlip(i) + prm%forestProjection(1:prm%totalNslip,i)))/prm%CLambdaSlip(i) ! change order and use matmul - !* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation + if (prm%totalNtwin > 0 .and. prm%totalNslip > 0) & - dst%invLambdaSlipTwin(1:prm%totalNslip,of) = & - matmul(transpose(prm%h_sl_tw),fOverStacksize)/(1.0_pReal-sumf_twin) ! ToDo: Change order and use matmul + lambda_sl_tw_inv = & + matmul(transpose(prm%h_sl_tw),fOverStacksize)/(1.0_pReal-sumf_twin) ! ToDo: Change order/no transpose - !* 1/mean free distance between 2 twin stacks from different systems seen by a growing twin + !ToDo: needed? if (prm%totalNtwin > 0) & - dst%invLambdaTwin(1:prm%totalNtwin,of) = matmul(prm%h_tw_tw,fOverStacksize)/(1.0_pReal-sumf_twin) + lambda_tw_tw_inv = matmul(prm%h_tw_tw,fOverStacksize)/(1.0_pReal-sumf_twin) - !* 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation + if (prm%totalNtrans > 0 .and. prm%totalNslip > 0) & - dst%invLambdaSlipTrans(1:prm%totalNslip,of) = & ! ToDo: does not work if Ntrans is not 12 - matmul(transpose(prm%interaction_SlipTrans),ftransOverLamellarSize)/(1.0_pReal-sumf_trans) ! ToDo: Transpose needed + lambda_sl_tr_inv = & ! ToDo: does not work if N_tr is not 12 + matmul(transpose(prm%interaction_SlipTrans),ftransOverLamellarSize)/(1.0_pReal-sumf_trans) ! ToDo: remove transpose - !* 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite (1/lambda_trans) + !ToDo: needed? if (prm%totalNtrans > 0) & - dst%invLambdaTrans(1:prm%totalNtrans,of) = matmul(prm%interaction_TransTrans,ftransOverLamellarSize)/(1.0_pReal-sumf_trans) + lambda_tr_tr_inv = matmul(prm%interaction_TransTrans,ftransOverLamellarSize)/(1.0_pReal-sumf_trans) - !* mean free path between 2 obstacles seen by a moving dislocation - do i = 1,prm%totalNslip - if ((prm%totalNtwin > 0) .or. (prm%totalNtrans > 0)) then ! ToDo: Change order and use matmul - dst%mfp_slip(i,of) = & + + + if ((prm%totalNtwin > 0) .or. (prm%totalNtrans > 0)) then ! ToDo: Change order + dst%Lambda_sl(:,of) = & prm%GrainSize/(1.0_pReal+prm%GrainSize*& - (dst%invLambdaSlip(i,of) + dst%invLambdaSlipTwin(i,of) + dst%invLambdaSlipTrans(i,of))) + (lambda_sl_sl_inv + lambda_sl_tw_inv + lambda_sl_tr_inv)) else - dst%mfp_slip(i,of) = prm%GrainSize & - / (1.0_pReal+prm%GrainSize*dst%invLambdaSlip(i,of)) !!!!!! correct? + dst%Lambda_sl(:,of) = prm%GrainSize & + / (1.0_pReal+prm%GrainSize*lambda_sl_sl_inv) !!!!!! correct? endif - enddo - !* mean free path between 2 obstacles seen by a growing twin/martensite - dst%mfp_twin(:,of) = prm%Cmfptwin*prm%GrainSize/ (1.0_pReal+prm%GrainSize*dst%invLambdaTwin(:,of)) - dst%mfp_trans(:,of) = prm%Cmfptrans*prm%GrainSize/(1.0_pReal+prm%GrainSize*dst%invLambdaTrans(:,of)) + + + dst%Lambda_tw(:,of) = prm%Cmfptwin *prm%GrainSize/(1.0_pReal+prm%GrainSize*lambda_tw_tw_inv) + dst%Lambda_tr(:,of) = prm%Cmfptrans*prm%GrainSize/(1.0_pReal+prm%GrainSize*lambda_tr_tr_inv) !* threshold stress for dislocation motion forall (i = 1:prm%totalNslip) dst%tau_pass(i,of) = & @@ -979,8 +977,8 @@ subroutine plastic_dislotwin_dependentState(temperature,instance,of) (prm%L0_trans*prm%b_sl) + prm%transStackHeight*prm%deltaG/ (3.0_pReal*prm%burgers_trans) ) - dst%twinVolume(:,of) = (PI/4.0_pReal)*prm%twinsize*dst%mfp_twin(:,of)**2.0_pReal - dst%martensiteVolume(:,of) = (PI/4.0_pReal)*prm%lamellarsize*dst%mfp_trans(:,of)**2.0_pReal + dst%twinVolume(:,of) = (PI/4.0_pReal)*prm%twinsize*dst%Lambda_tw(:,of)**2.0_pReal + dst%martensiteVolume(:,of) = (PI/4.0_pReal)*prm%lamellarsize*dst%Lambda_tr(:,of)**2.0_pReal x0 = prm%mu*prm%b_tw**2.0_pReal/(SFE*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) ! ToDo: In the paper, this is the burgers vector for slip @@ -1040,7 +1038,7 @@ function plastic_dislotwin_postResults(Mp,Temperature,instance,of) result(postRe postResults(c+1:c+prm%totalNslip) = stt%accshear_slip(1:prm%totalNslip,of) c = c + prm%totalNslip case (mfp_slip_ID) - postResults(c+1:c+prm%totalNslip) = dst%mfp_slip(1:prm%totalNslip,of) + postResults(c+1:c+prm%totalNslip) = dst%Lambda_sl(1:prm%totalNslip,of) c = c + prm%totalNslip case (resolved_stress_slip_ID) do j = 1, prm%totalNslip @@ -1055,7 +1053,7 @@ function plastic_dislotwin_postResults(Mp,Temperature,instance,of) result(postRe postResults(c+1:c+prm%totalNtwin) = stt%twinFraction(1:prm%totalNtwin,of) c = c + prm%totalNtwin case (mfp_twin_ID) - postResults(c+1:c+prm%totalNtwin) = dst%mfp_twin(1:prm%totalNtwin,of) + postResults(c+1:c+prm%totalNtwin) = dst%Lambda_tw(1:prm%totalNtwin,of) c = c + prm%totalNtwin case (resolved_stress_twin_ID) do j = 1, prm%totalNtwin From 8a07ff4617ba312acd5abd53051a09ec4a682043 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Tue, 19 Mar 2019 14:17:06 +0100 Subject: [PATCH 08/21] fixed copy and paste errors --- src/plastic_dislotwin.f90 | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index fc04ebc2f..7e3aa8d88 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -890,13 +890,13 @@ subroutine plastic_dislotwin_dependentState(temperature,instance,of) i real(pReal) :: & sumf_twin,SFE,sumf_trans - real(pReal), dimension(param(instance)%totalNtwin) :: & + real(pReal), dimension(param(instance)%totalNslip) :: & lambda_sl_sl_inv, & !* 1/mean free distance between 2 forest dislocations seen by a moving dislocation lambda_sl_tw_inv, & !* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation lambda_sl_tr_inv !* 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation - real(pReal), dimension(param(instance)%totalNtrans) :: & + real(pReal), dimension(param(instance)%totalNtwin) :: & lambda_tw_tw_inv !* 1/mean free distance between 2 twin stacks from different systems seen by a growing twin - real(pReal), dimension(param(instance)%totalNslip) :: & + real(pReal), dimension(param(instance)%totalNtrans) :: & lambda_tr_tr_inv !* 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite (1/lambda_trans) real(pReal), dimension(:), allocatable :: & From 5f53147e96c3b27ca83d3b675be580e6a72d4df5 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Tue, 19 Mar 2019 14:56:36 +0100 Subject: [PATCH 09/21] wrong assignmen (scalar to vector) --- src/plastic_dislotwin.f90 | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 7e3aa8d88..40d5854bb 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -581,7 +581,7 @@ subroutine plastic_dislotwin_init allocate(dst%Lambda_sl (prm%totalNslip, NipcMyPhase),source=0.0_pReal) allocate(dst%tau_pass (prm%totalNslip, NipcMyPhase),source=0.0_pReal) - allocate(dst%Lambda_tw (prm%totalNtwin, NipcMyPhase),source=0.0_pReal) + allocate(dst%Lambda_tw (prm%totalNtwin, NipcMyPhase),source=0.0_pReal) allocate(dst%threshold_stress_twin (prm%totalNtwin, NipcMyPhase),source=0.0_pReal) allocate(dst%tau_r_twin (prm%totalNtwin, NipcMyPhase),source=0.0_pReal) allocate(dst%twinVolume (prm%totalNtwin, NipcMyPhase),source=0.0_pReal) @@ -921,7 +921,7 @@ subroutine plastic_dislotwin_dependentState(temperature,instance,of) forall (i = 1:prm%totalNslip) & - lambda_sl_sl_inv = & + lambda_sl_sl_inv(i) = & sqrt(dot_product((stt%rhoEdge(1:prm%totalNslip,of)+stt%rhoEdgeDip(1:prm%totalNslip,of)),& prm%forestProjection(1:prm%totalNslip,i)))/prm%CLambdaSlip(i) ! change order and use matmul From facef25f8e06a0bfd51d4a8b183a8f31bb8883e4 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Wed, 20 Mar 2019 09:46:49 +0100 Subject: [PATCH 10/21] renaming to fit paper and/or disloUCLA --- src/plastic_dislotwin.f90 | 428 +++++++++++++++++++------------------- 1 file changed, 214 insertions(+), 214 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 40d5854bb..d62db7d2b 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -28,15 +28,15 @@ module plastic_dislotwin rho_dip_ID, & gamma_dot_sl_ID, & gamma_sl_ID, & - mfp_slip_ID, & + Lambda_sl_ID, & resolved_stress_slip_ID, & threshold_stress_slip_ID, & edge_dipole_distance_ID, & f_tw_ID, & - mfp_twin_ID, & + Lambda_tw_ID, & resolved_stress_twin_ID, & threshold_stress_twin_ID, & - strain_trans_fraction_ID + f_tr_ID end enum type, private :: tParameters @@ -72,7 +72,7 @@ module plastic_dislotwin rho_dip_0, & !< initial dipole dislocation density per slip system b_sl, & !< absolute length of burgers vector [m] for each slip system b_tw, & !< absolute length of burgers vector [m] for each twin system - burgers_trans, & !< absolute length of burgers vector [m] for each transformation system + b_tr, & !< absolute length of burgers vector [m] for each transformation system Qedge,& !< activation energy for glide [J] for each slip system v0, & !< dislocation velocity prefactor [m/s] for each slip system tau_peierls,& !< Peierls stress [Pa] for each slip system @@ -106,9 +106,9 @@ module plastic_dislotwin C66_twin, & C66_trans integer :: & - totalNslip, & !< total number of active slip system - totalNtwin, & !< total number of active twin system - totalNtrans !< total number of active transformation system + sum_N_sl, & !< total number of active slip system + sum_N_tw, & !< total number of active twin system + sum_N_tr !< total number of active transformation system integer, dimension(:), allocatable :: & N_sl, & !< number of active slip systems for each family N_tw, & !< number of active twin systems for each family @@ -265,8 +265,8 @@ subroutine plastic_dislotwin_init !-------------------------------------------------------------------------------------------------- ! slip related parameters prm%N_sl = config%getInts('nslip',defaultVal=emptyIntArray) - prm%totalNslip = sum(prm%N_sl) - slipActive: if (prm%totalNslip > 0) then + prm%sum_N_sl = sum(prm%N_sl) + slipActive: if (prm%sum_N_sl > 0) then prm%Schmid_slip = lattice_SchmidMatrix_slip(prm%N_sl,config%getString('lattice_structure'),& config%getFloat('c/a',defaultVal=0.0_pReal)) prm%h_sl_sl = lattice_interaction_SlipBySlip(prm%N_sl, & @@ -332,8 +332,8 @@ subroutine plastic_dislotwin_init !-------------------------------------------------------------------------------------------------- ! twin related parameters prm%N_tw = config%getInts('ntwin', defaultVal=emptyIntArray) - prm%totalNtwin = sum(prm%N_tw) - if (prm%totalNtwin > 0) then + prm%sum_N_tw = sum(prm%N_tw) + if (prm%sum_N_tw > 0) then prm%Schmid_twin = lattice_SchmidMatrix_twin(prm%N_tw,config%getString('lattice_structure'),& config%getFloat('c/a',defaultVal=0.0_pReal)) prm%h_tw_tw = lattice_interaction_TwinByTwin(prm%N_tw,& @@ -373,10 +373,10 @@ subroutine plastic_dislotwin_init !-------------------------------------------------------------------------------------------------- ! transformation related parameters prm%N_tr = config%getInts('ntrans', defaultVal=emptyIntArray) - prm%totalNtrans = sum(prm%N_tr) - if (prm%totalNtrans > 0) then - prm%burgers_trans = config%getFloats('transburgers') - prm%burgers_trans = math_expand(prm%burgers_trans,prm%N_tr) + prm%sum_N_tr = sum(prm%N_tr) + if (prm%sum_N_tr > 0) then + prm%b_tr = config%getFloats('transburgers') + prm%b_tr = math_expand(prm%b_tr,prm%N_tr) prm%transStackHeight = config%getFloat('transstackheight', defaultVal=0.0_pReal) ! ToDo: How to handle that??? prm%Cmfptrans = config%getFloat('cmfptrans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? @@ -410,27 +410,27 @@ subroutine plastic_dislotwin_init prm%s = math_expand(prm%s,prm%N_tr) else allocate(prm%lamellarsize(0)) - allocate(prm%burgers_trans(0)) + allocate(prm%b_tr(0)) endif - if (sum(prm%N_tw) > 0 .or. prm%totalNtrans > 0) then + if (sum(prm%N_tw) > 0 .or. prm%sum_N_tr > 0) then prm%SFE_0K = config%getFloat('sfe_0k') prm%dSFE_dT = config%getFloat('dsfe_dt') prm%VcrossSlip = config%getFloat('vcrossslip') endif - if (prm%totalNslip > 0 .and. prm%totalNtwin > 0) then + if (prm%sum_N_sl > 0 .and. prm%sum_N_tw > 0) then prm%h_sl_tw = lattice_interaction_SlipByTwin(prm%N_sl,prm%N_tw,& config%getFloats('interaction_sliptwin'), & config%getString('lattice_structure')) - if (prm%fccTwinTransNucleation .and. prm%totalNtwin > 12) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if N_tw is [6,6] + if (prm%fccTwinTransNucleation .and. prm%sum_N_tw > 12) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if N_tw is [6,6] endif - if (prm%totalNslip > 0 .and. prm%totalNtrans > 0) then + if (prm%sum_N_sl > 0 .and. prm%sum_N_tr > 0) then prm%interaction_SlipTrans = lattice_interaction_SlipByTrans(prm%N_sl,prm%N_tr,& config%getFloats('interaction_sliptrans'), & config%getString('lattice_structure')) - if (prm%fccTwinTransNucleation .and. prm%totalNtrans > 12) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if N_tr is [6,6] + if (prm%fccTwinTransNucleation .and. prm%sum_N_tr > 12) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if N_tr is [6,6] endif !-------------------------------------------------------------------------------------------------- @@ -463,13 +463,13 @@ subroutine plastic_dislotwin_init if (any(prm%atomicVolume <= 0.0_pReal)) & call IO_error(211,el=p,ext_msg='cAtomicVolume ('//PLASTICITY_DISLOTWIN_label//')') - if (prm%totalNtwin > 0) then + if (prm%sum_N_tw > 0) then if (prm%aTol_rho <= 0.0_pReal) & call IO_error(211,el=p,ext_msg='aTol_rho ('//PLASTICITY_DISLOTWIN_label//')') if (prm%aTol_f_tw <= 0.0_pReal) & call IO_error(211,el=p,ext_msg='aTol_f_tw ('//PLASTICITY_DISLOTWIN_label//')') endif - if (prm%totalNtrans > 0) then + if (prm%sum_N_tr > 0) then if (prm%aTol_f_tr <= 0.0_pReal) & call IO_error(211,el=p,ext_msg='aTol_f_tr ('//PLASTICITY_DISLOTWIN_label//')') endif @@ -480,43 +480,43 @@ subroutine plastic_dislotwin_init outputID = undefined_ID select case(outputs(i)) case ('edge_density') - outputID = merge(rho_mob_ID,undefined_ID,prm%totalNslip > 0) - outputSize = prm%totalNslip + outputID = merge(rho_mob_ID,undefined_ID,prm%sum_N_sl > 0) + outputSize = prm%sum_N_sl case ('dipole_density') - outputID = merge(rho_dip_ID,undefined_ID,prm%totalNslip > 0) - outputSize = prm%totalNslip + outputID = merge(rho_dip_ID,undefined_ID,prm%sum_N_sl > 0) + outputSize = prm%sum_N_sl case ('shear_rate_slip','shearrate_slip') - outputID = merge(gamma_dot_sl_ID,undefined_ID,prm%totalNslip > 0) - outputSize = prm%totalNslip + outputID = merge(gamma_dot_sl_ID,undefined_ID,prm%sum_N_sl > 0) + outputSize = prm%sum_N_sl case ('accumulated_shear_slip') - outputID = merge(gamma_sl_ID,undefined_ID,prm%totalNslip > 0) - outputSize = prm%totalNslip + outputID = merge(gamma_sl_ID,undefined_ID,prm%sum_N_sl > 0) + outputSize = prm%sum_N_sl case ('mfp_slip') - outputID = merge(mfp_slip_ID,undefined_ID,prm%totalNslip > 0) - outputSize = prm%totalNslip + outputID = merge(Lambda_sl_ID,undefined_ID,prm%sum_N_sl > 0) + outputSize = prm%sum_N_sl case ('resolved_stress_slip') - outputID = merge(resolved_stress_slip_ID,undefined_ID,prm%totalNslip > 0) - outputSize = prm%totalNslip + outputID = merge(resolved_stress_slip_ID,undefined_ID,prm%sum_N_sl > 0) + outputSize = prm%sum_N_sl case ('threshold_stress_slip') - outputID= merge(threshold_stress_slip_ID,undefined_ID,prm%totalNslip > 0) - outputSize = prm%totalNslip + outputID= merge(threshold_stress_slip_ID,undefined_ID,prm%sum_N_sl > 0) + outputSize = prm%sum_N_sl case ('twin_fraction') - outputID = merge(f_tw_ID,undefined_ID,prm%totalNtwin >0) - outputSize = prm%totalNtwin + outputID = merge(f_tw_ID,undefined_ID,prm%sum_N_tw >0) + outputSize = prm%sum_N_tw case ('mfp_twin') - outputID = merge(mfp_twin_ID,undefined_ID,prm%totalNtwin >0) - outputSize = prm%totalNtwin + outputID = merge(Lambda_tw_ID,undefined_ID,prm%sum_N_tw >0) + outputSize = prm%sum_N_tw case ('resolved_stress_twin') - outputID = merge(resolved_stress_twin_ID,undefined_ID,prm%totalNtwin >0) - outputSize = prm%totalNtwin + outputID = merge(resolved_stress_twin_ID,undefined_ID,prm%sum_N_tw >0) + outputSize = prm%sum_N_tw case ('threshold_stress_twin') - outputID = merge(threshold_stress_twin_ID,undefined_ID,prm%totalNtwin >0) - outputSize = prm%totalNtwin + outputID = merge(threshold_stress_twin_ID,undefined_ID,prm%sum_N_tw >0) + outputSize = prm%sum_N_tw case ('strain_trans_fraction') - outputID = strain_trans_fraction_ID - outputSize = prm%totalNtrans + outputID = f_tr_ID + outputSize = prm%sum_N_tr end select @@ -531,34 +531,34 @@ subroutine plastic_dislotwin_init !-------------------------------------------------------------------------------------------------- ! allocate state arrays NipcMyPhase = count(material_phase == p) - sizeDotState = size(['rho ','rhoDip ','accshearslip']) * prm%totalNslip & - + size(['twinFraction']) * prm%totalNtwin & - + size(['strainTransFraction']) * prm%totalNtrans + sizeDotState = size(['rho ','rhoDip ','accshearslip']) * prm%sum_N_sl & + + size(['twinFraction']) * prm%sum_N_tw & + + size(['strainTransFraction']) * prm%sum_N_tr sizeState = sizeDotState call material_allocatePlasticState(p,NipcMyPhase,sizeState,sizeDotState,0, & - prm%totalNslip,prm%totalNtwin,prm%totalNtrans) + prm%sum_N_sl,prm%sum_N_tw,prm%sum_N_tr) plasticState(p)%sizePostResults = sum(plastic_dislotwin_sizePostResult(:,phase_plasticityInstance(p))) !-------------------------------------------------------------------------------------------------- ! locally defined state aliases and initialization of state0 and aTolState startIndex = 1 - endIndex = prm%totalNslip + endIndex = prm%sum_N_sl stt%rhoEdge=>plasticState(p)%state(startIndex:endIndex,:) stt%rhoEdge= spread(prm%rho_mob_0,2,NipcMyPhase) dot%rhoEdge=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTol_rho startIndex = endIndex + 1 - endIndex = endIndex + prm%totalNslip + endIndex = endIndex + prm%sum_N_sl stt%rhoEdgeDip=>plasticState(p)%state(startIndex:endIndex,:) stt%rhoEdgeDip= spread(prm%rho_dip_0,2,NipcMyPhase) dot%rhoEdgeDip=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTol_rho startIndex = endIndex + 1 - endIndex = endIndex + prm%totalNslip + endIndex = endIndex + prm%sum_N_sl stt%accshear_slip=>plasticState(p)%state(startIndex:endIndex,:) dot%accshear_slip=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = 1.0e6_pReal !ToDo: better make optional parameter @@ -567,29 +567,29 @@ subroutine plastic_dislotwin_init plasticState(p)%accumulatedSlip => plasticState(p)%state(startIndex:endIndex,:) startIndex = endIndex + 1 - endIndex = endIndex + prm%totalNtwin + endIndex = endIndex + prm%sum_N_tw stt%twinFraction=>plasticState(p)%state(startIndex:endIndex,:) dot%twinFraction=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTol_f_tw startIndex = endIndex + 1 - endIndex = endIndex + prm%totalNtrans + endIndex = endIndex + prm%sum_N_tr stt%strainTransFraction=>plasticState(p)%state(startIndex:endIndex,:) dot%strainTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTol_f_tr - allocate(dst%Lambda_sl (prm%totalNslip, NipcMyPhase),source=0.0_pReal) - allocate(dst%tau_pass (prm%totalNslip, NipcMyPhase),source=0.0_pReal) + allocate(dst%Lambda_sl (prm%sum_N_sl, NipcMyPhase),source=0.0_pReal) + allocate(dst%tau_pass (prm%sum_N_sl, NipcMyPhase),source=0.0_pReal) - allocate(dst%Lambda_tw (prm%totalNtwin, NipcMyPhase),source=0.0_pReal) - allocate(dst%threshold_stress_twin (prm%totalNtwin, NipcMyPhase),source=0.0_pReal) - allocate(dst%tau_r_twin (prm%totalNtwin, NipcMyPhase),source=0.0_pReal) - allocate(dst%twinVolume (prm%totalNtwin, NipcMyPhase),source=0.0_pReal) + allocate(dst%Lambda_tw (prm%sum_N_tw, NipcMyPhase),source=0.0_pReal) + allocate(dst%threshold_stress_twin (prm%sum_N_tw, NipcMyPhase),source=0.0_pReal) + allocate(dst%tau_r_twin (prm%sum_N_tw, NipcMyPhase),source=0.0_pReal) + allocate(dst%twinVolume (prm%sum_N_tw, NipcMyPhase),source=0.0_pReal) - allocate(dst%Lambda_tr (prm%totalNtrans,NipcMyPhase),source=0.0_pReal) - allocate(dst%threshold_stress_trans(prm%totalNtrans,NipcMyPhase),source=0.0_pReal) - allocate(dst%tau_r_trans (prm%totalNtrans,NipcMyPhase),source=0.0_pReal) - allocate(dst%martensiteVolume (prm%totalNtrans,NipcMyPhase),source=0.0_pReal) + allocate(dst%Lambda_tr (prm%sum_N_tr,NipcMyPhase),source=0.0_pReal) + allocate(dst%threshold_stress_trans(prm%sum_N_tr,NipcMyPhase),source=0.0_pReal) + allocate(dst%tau_r_trans (prm%sum_N_tr,NipcMyPhase),source=0.0_pReal) + allocate(dst%martensiteVolume (prm%sum_N_tr,NipcMyPhase),source=0.0_pReal) plasticState(p)%state0 = plasticState(p)%state ! ToDo: this could be done centrally @@ -627,15 +627,15 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el) result(homogenizedC) stt => state(phase_plasticityInstance(material_phase(ipc,ip,el)))) f_unrotated = 1.0_pReal & - - sum(stt%twinFraction(1:prm%totalNtwin,of)) & - - sum(stt%strainTransFraction(1:prm%totalNtrans,of)) + - sum(stt%twinFraction(1:prm%sum_N_tw,of)) & + - sum(stt%strainTransFraction(1:prm%sum_N_tr,of)) homogenizedC = f_unrotated * prm%C66 - do i=1,prm%totalNtwin + do i=1,prm%sum_N_tw homogenizedC = homogenizedC & + stt%twinFraction(i,of)*prm%C66_twin(1:6,1:6,i) enddo - do i=1,prm%totalNtrans + do i=1,prm%sum_N_tr homogenizedC = homogenizedC & + stt%strainTransFraction(i,of)*prm%C66_trans(1:6,1:6,i) enddo @@ -669,15 +669,15 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,instance, integer :: i,k,l,m,n real(pReal) :: f_unrotated,StressRatio_p,& BoltzmannRatio, & - dgdot_dtau, & + dgamma_dtau, & tau - real(pReal), dimension(param(instance)%totalNslip) :: & - gdot_slip,dgdot_dtau_slip - real(pReal), dimension(param(instance)%totalNtwin) :: & - gdot_twin,dgdot_dtau_twin - real(pReal), dimension(param(instance)%totalNtrans) :: & - gdot_trans,dgdot_dtau_trans - real(pReal):: gdot_sb + real(pReal), dimension(param(instance)%sum_N_sl) :: & + dot_gamma_sl,dgamma_dtau_slip + real(pReal), dimension(param(instance)%sum_N_tw) :: & + dot_gamma_twin,dgamma_dtau_twin + real(pReal), dimension(param(instance)%sum_N_tr) :: & + dot_gamma_trans,dgamma_dtau_trans + real(pReal):: dot_gamma_sb real(pReal), dimension(3,3) :: eigVectors, Schmid_shearBand real(pReal), dimension(3) :: eigValues logical :: error @@ -704,18 +704,18 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,instance, associate(prm => param(instance), stt => state(instance)) f_unrotated = 1.0_pReal & - - sum(stt%twinFraction(1:prm%totalNtwin,of)) & - - sum(stt%strainTransFraction(1:prm%totalNtrans,of)) + - sum(stt%twinFraction(1:prm%sum_N_tw,of)) & + - sum(stt%strainTransFraction(1:prm%sum_N_tr,of)) Lp = 0.0_pReal dLp_dMp = 0.0_pReal - call kinetics_slip(Mp,temperature,instance,of,gdot_slip,dgdot_dtau_slip) - slipContribution: do i = 1, prm%totalNslip - Lp = Lp + gdot_slip(i)*prm%Schmid_slip(1:3,1:3,i) + call kinetics_slip(Mp,temperature,instance,of,dot_gamma_sl,dgamma_dtau_slip) + slipContribution: do i = 1, prm%sum_N_sl + Lp = Lp + dot_gamma_sl(i)*prm%Schmid_slip(1:3,1:3,i) forall (k=1:3,l=1:3,m=1:3,n=1:3) & dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & - + dgdot_dtau_slip(i) * prm%Schmid_slip(k,l,i) * prm%Schmid_slip(m,n,i) + + dgamma_dtau_slip(i) * prm%Schmid_slip(k,l,i) * prm%Schmid_slip(m,n,i) enddo slipContribution !ToDo: Why do this before shear banding? @@ -734,34 +734,34 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,instance, significantShearBandStress: if (abs(tau) > tol_math_check) then StressRatio_p = (abs(tau)/prm%sbResistance)**prm%pShearBand - gdot_sb = sign(prm%sbVelocity*exp(-BoltzmannRatio*(1-StressRatio_p)**prm%qShearBand), tau) - dgdot_dtau = abs(gdot_sb)*BoltzmannRatio* prm%pShearBand*prm%qShearBand/ prm%sbResistance & + dot_gamma_sb = sign(prm%sbVelocity*exp(-BoltzmannRatio*(1-StressRatio_p)**prm%qShearBand), tau) + dgamma_dtau = abs(dot_gamma_sb)*BoltzmannRatio* prm%pShearBand*prm%qShearBand/ prm%sbResistance & * (abs(tau)/prm%sbResistance)**(prm%pShearBand-1.0_pReal) & * (1.0_pReal-StressRatio_p)**(prm%qShearBand-1.0_pReal) - Lp = Lp + gdot_sb * Schmid_shearBand + Lp = Lp + dot_gamma_sb * Schmid_shearBand forall (k=1:3,l=1:3,m=1:3,n=1:3) & dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & - + dgdot_dtau * Schmid_shearBand(k,l) * Schmid_shearBand(m,n) + + dgamma_dtau * Schmid_shearBand(k,l) * Schmid_shearBand(m,n) endif significantShearBandStress enddo endif shearBandingContribution - call kinetics_twin(Mp,temperature,gdot_slip,instance,of,gdot_twin,dgdot_dtau_twin) - twinContibution: do i = 1, prm%totalNtwin - Lp = Lp + gdot_twin(i)*prm%Schmid_twin(1:3,1:3,i) * f_unrotated + call kinetics_twin(Mp,temperature,dot_gamma_sl,instance,of,dot_gamma_twin,dgamma_dtau_twin) + twinContibution: do i = 1, prm%sum_N_tw + Lp = Lp + dot_gamma_twin(i)*prm%Schmid_twin(1:3,1:3,i) * f_unrotated forall (k=1:3,l=1:3,m=1:3,n=1:3) & dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & - + dgdot_dtau_twin(i)* prm%Schmid_twin(k,l,i)*prm%Schmid_twin(m,n,i) * f_unrotated + + dgamma_dtau_twin(i)* prm%Schmid_twin(k,l,i)*prm%Schmid_twin(m,n,i) * f_unrotated enddo twinContibution - call kinetics_twin(Mp,temperature,gdot_slip,instance,of,gdot_trans,dgdot_dtau_trans) - transContibution: do i = 1, prm%totalNtrans - Lp = Lp + gdot_trans(i)*prm%Schmid_trans(1:3,1:3,i) * f_unrotated + call kinetics_twin(Mp,temperature,dot_gamma_sl,instance,of,dot_gamma_trans,dgamma_dtau_trans) + transContibution: do i = 1, prm%sum_N_tr + Lp = Lp + dot_gamma_trans(i)*prm%Schmid_trans(1:3,1:3,i) * f_unrotated forall (k=1:3,l=1:3,m=1:3,n=1:3) & dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & - + dgdot_dtau_trans(i)* prm%Schmid_trans(k,l,i)*prm%Schmid_trans(m,n,i) * f_unrotated + + dgamma_dtau_trans(i)* prm%Schmid_trans(k,l,i)*prm%Schmid_trans(m,n,i) * f_unrotated enddo transContibution @@ -799,30 +799,30 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of) EdgeDipDistance, ClimbVelocity,DotRhoEdgeDipClimb,DotRhoEdgeDipAnnihilation, & DotRhoDipFormation,DotRhoEdgeEdgeAnnihilation, & tau - real(pReal), dimension(param(instance)%totalNslip) :: & + real(pReal), dimension(param(instance)%sum_N_sl) :: & EdgeDipMinDistance, & DotRhoMultiplication, & - gdot_slip - real(pReal), dimension(param(instance)%totalNtwin) :: & - gdot_twin - real(pReal), dimension(param(instance)%totalNtrans) :: & - gdot_trans + dot_gamma_sl + real(pReal), dimension(param(instance)%sum_N_tw) :: & + dot_gamma_twin + real(pReal), dimension(param(instance)%sum_N_tr) :: & + dot_gamma_trans associate(prm => param(instance), stt => state(instance), & dot => dotstate(instance), dst => microstructure(instance)) f_unrotated = 1.0_pReal & - - sum(stt%twinFraction(1:prm%totalNtwin,of)) & - - sum(stt%strainTransFraction(1:prm%totalNtrans,of)) + - sum(stt%twinFraction(1:prm%sum_N_tw,of)) & + - sum(stt%strainTransFraction(1:prm%sum_N_tr,of)) VacancyDiffusion = prm%D0*exp(-prm%Qsd/(kB*Temperature)) - call kinetics_slip(Mp,temperature,instance,of,gdot_slip) - dot%accshear_slip(:,of) = abs(gdot_slip) + call kinetics_slip(Mp,temperature,instance,of,dot_gamma_sl) + dot%accshear_slip(:,of) = abs(dot_gamma_sl) - DotRhoMultiplication = abs(gdot_slip)/(prm%b_sl*dst%Lambda_sl(:,of)) + DotRhoMultiplication = abs(dot_gamma_sl)/(prm%b_sl*dst%Lambda_sl(:,of)) EdgeDipMinDistance = prm%CEdgeDipMinDistance*prm%b_sl - slipState: do i = 1, prm%totalNslip + slipState: do i = 1, prm%sum_N_sl tau = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,i)) significantSlipStress: if (dEq0(tau)) then @@ -835,7 +835,7 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of) if (prm%dipoleFormation) then DotRhoDipFormation = 2.0_pReal*(EdgeDipDistance-EdgeDipMinDistance(i))/prm%b_sl(i) & - * stt%rhoEdge(i,of)*abs(gdot_slip(i)) + * stt%rhoEdge(i,of)*abs(dot_gamma_sl(i)) else DotRhoDipFormation = 0.0_pReal endif @@ -852,20 +852,20 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of) !* Spontaneous annihilation of 2 single edge dislocations DotRhoEdgeEdgeAnnihilation = 2.0_pReal*EdgeDipMinDistance(i)/prm%b_sl(i) & - * stt%rhoEdge(i,of)*abs(gdot_slip(i)) + * stt%rhoEdge(i,of)*abs(dot_gamma_sl(i)) !* Spontaneous annihilation of a single edge dislocation with a dipole constituent DotRhoEdgeDipAnnihilation = 2.0_pReal*EdgeDipMinDistance(i)/prm%b_sl(i) & - * stt%rhoEdgeDip(i,of)*abs(gdot_slip(i)) + * stt%rhoEdgeDip(i,of)*abs(dot_gamma_sl(i)) dot%rhoEdge(i,of) = DotRhoMultiplication(i)-DotRhoDipFormation-DotRhoEdgeEdgeAnnihilation dot%rhoEdgeDip(i,of) = DotRhoDipFormation-DotRhoEdgeDipAnnihilation-DotRhoEdgeDipClimb enddo slipState - call kinetics_twin(Mp,temperature,gdot_slip,instance,of,gdot_twin) - dot%twinFraction(:,of) = f_unrotated*gdot_twin/prm%shear_twin + call kinetics_twin(Mp,temperature,dot_gamma_sl,instance,of,dot_gamma_twin) + dot%twinFraction(:,of) = f_unrotated*dot_gamma_twin/prm%shear_twin - call kinetics_trans(Mp,temperature,gdot_slip,instance,of,gdot_trans) - dot%twinFraction(:,of) = f_unrotated*gdot_trans + call kinetics_trans(Mp,temperature,dot_gamma_sl,instance,of,dot_gamma_trans) + dot%twinFraction(:,of) = f_unrotated*dot_gamma_trans end associate @@ -890,13 +890,13 @@ subroutine plastic_dislotwin_dependentState(temperature,instance,of) i real(pReal) :: & sumf_twin,SFE,sumf_trans - real(pReal), dimension(param(instance)%totalNslip) :: & + real(pReal), dimension(param(instance)%sum_N_sl) :: & lambda_sl_sl_inv, & !* 1/mean free distance between 2 forest dislocations seen by a moving dislocation lambda_sl_tw_inv, & !* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation lambda_sl_tr_inv !* 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation - real(pReal), dimension(param(instance)%totalNtwin) :: & + real(pReal), dimension(param(instance)%sum_N_tw) :: & lambda_tw_tw_inv !* 1/mean free distance between 2 twin stacks from different systems seen by a growing twin - real(pReal), dimension(param(instance)%totalNtrans) :: & + real(pReal), dimension(param(instance)%sum_N_tr) :: & lambda_tr_tr_inv !* 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite (1/lambda_trans) real(pReal), dimension(:), allocatable :: & @@ -909,45 +909,45 @@ subroutine plastic_dislotwin_dependentState(temperature,instance,of) stt => state(instance),& dst => microstructure(instance)) - sumf_twin = sum(stt%twinFraction(1:prm%totalNtwin,of)) - sumf_trans = sum(stt%strainTransFraction(1:prm%totalNtrans,of)) + sumf_twin = sum(stt%twinFraction(1:prm%sum_N_tw,of)) + sumf_trans = sum(stt%strainTransFraction(1:prm%sum_N_tr,of)) SFE = prm%SFE_0K + prm%dSFE_dT * Temperature !* rescaled volume fraction for topology - fOverStacksize = stt%twinFraction(1:prm%totalNtwin,of)/prm%twinsize !ToDo: this is per system + fOverStacksize = stt%twinFraction(1:prm%sum_N_tw,of)/prm%twinsize !ToDo: this is per system ftransOverLamellarSize = sumf_trans/prm%lamellarsize !ToDo: But this not ... !Todo: Physically ok, but naming could be adjusted - forall (i = 1:prm%totalNslip) & + forall (i = 1:prm%sum_N_sl) & lambda_sl_sl_inv(i) = & - sqrt(dot_product((stt%rhoEdge(1:prm%totalNslip,of)+stt%rhoEdgeDip(1:prm%totalNslip,of)),& - prm%forestProjection(1:prm%totalNslip,i)))/prm%CLambdaSlip(i) ! change order and use matmul + sqrt(dot_product((stt%rhoEdge(1:prm%sum_N_sl,of)+stt%rhoEdgeDip(1:prm%sum_N_sl,of)),& + prm%forestProjection(1:prm%sum_N_sl,i)))/prm%CLambdaSlip(i) ! change order and use matmul - if (prm%totalNtwin > 0 .and. prm%totalNslip > 0) & + if (prm%sum_N_tw > 0 .and. prm%sum_N_sl > 0) & lambda_sl_tw_inv = & matmul(transpose(prm%h_sl_tw),fOverStacksize)/(1.0_pReal-sumf_twin) ! ToDo: Change order/no transpose - !ToDo: needed? if (prm%totalNtwin > 0) & + !ToDo: needed? if (prm%sum_N_tw > 0) & lambda_tw_tw_inv = matmul(prm%h_tw_tw,fOverStacksize)/(1.0_pReal-sumf_twin) - if (prm%totalNtrans > 0 .and. prm%totalNslip > 0) & + if (prm%sum_N_tr > 0 .and. prm%sum_N_sl > 0) & lambda_sl_tr_inv = & ! ToDo: does not work if N_tr is not 12 matmul(transpose(prm%interaction_SlipTrans),ftransOverLamellarSize)/(1.0_pReal-sumf_trans) ! ToDo: remove transpose - !ToDo: needed? if (prm%totalNtrans > 0) & + !ToDo: needed? if (prm%sum_N_tr > 0) & lambda_tr_tr_inv = matmul(prm%interaction_TransTrans,ftransOverLamellarSize)/(1.0_pReal-sumf_trans) - if ((prm%totalNtwin > 0) .or. (prm%totalNtrans > 0)) then ! ToDo: Change order + if ((prm%sum_N_tw > 0) .or. (prm%sum_N_tr > 0)) then ! ToDo: Change order dst%Lambda_sl(:,of) = & prm%GrainSize/(1.0_pReal+prm%GrainSize*& (lambda_sl_sl_inv + lambda_sl_tw_inv + lambda_sl_tr_inv)) @@ -962,19 +962,19 @@ subroutine plastic_dislotwin_dependentState(temperature,instance,of) dst%Lambda_tr(:,of) = prm%Cmfptrans*prm%GrainSize/(1.0_pReal+prm%GrainSize*lambda_tr_tr_inv) !* threshold stress for dislocation motion - forall (i = 1:prm%totalNslip) dst%tau_pass(i,of) = & + forall (i = 1:prm%sum_N_sl) dst%tau_pass(i,of) = & prm%mu*prm%b_sl(i)*& - sqrt(dot_product(stt%rhoEdge(1:prm%totalNslip,of)+stt%rhoEdgeDip(1:prm%totalNslip,of),& + sqrt(dot_product(stt%rhoEdge(1:prm%sum_N_sl,of)+stt%rhoEdgeDip(1:prm%sum_N_sl,of),& prm%h_sl_sl(:,i))) !* threshold stress for growing twin/martensite - if(prm%totalNtwin == prm%totalNslip) & + if(prm%sum_N_tw == prm%sum_N_sl) & dst%threshold_stress_twin(:,of) = & (SFE/(3.0_pReal*prm%b_tw)+ 3.0_pReal*prm%b_tw*prm%mu/(prm%L0_twin*prm%b_sl)) ! slip burgers here correct? - if(prm%totalNtrans == prm%totalNslip) & + if(prm%sum_N_tr == prm%sum_N_sl) & dst%threshold_stress_trans(:,of) = & - (SFE/(3.0_pReal*prm%burgers_trans) + 3.0_pReal*prm%burgers_trans*prm%mu/& - (prm%L0_trans*prm%b_sl) + prm%transStackHeight*prm%deltaG/ (3.0_pReal*prm%burgers_trans) ) + (SFE/(3.0_pReal*prm%b_tr) + 3.0_pReal*prm%b_tr*prm%mu/& + (prm%L0_trans*prm%b_sl) + prm%transStackHeight*prm%deltaG/ (3.0_pReal*prm%b_tr) ) dst%twinVolume(:,of) = (PI/4.0_pReal)*prm%twinsize*dst%Lambda_tw(:,of)**2.0_pReal @@ -984,8 +984,8 @@ subroutine plastic_dislotwin_dependentState(temperature,instance,of) x0 = prm%mu*prm%b_tw**2.0_pReal/(SFE*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) ! ToDo: In the paper, this is the burgers vector for slip dst%tau_r_twin(:,of) = prm%mu*prm%b_tw/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%xc_twin)+cos(pi/3.0_pReal)/x0) - x0 = prm%mu*prm%burgers_trans**2.0_pReal/(SFE*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) ! ToDo: In the paper, this is the burgers vector for slip - dst%tau_r_trans(:,of) = prm%mu*prm%burgers_trans/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%xc_trans)+cos(pi/3.0_pReal)/x0) + x0 = prm%mu*prm%b_tr**2.0_pReal/(SFE*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) ! ToDo: In the paper, this is the burgers vector for slip + dst%tau_r_trans(:,of) = prm%mu*prm%b_tr/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%xc_trans)+cos(pi/3.0_pReal)/x0) end associate @@ -1026,47 +1026,47 @@ function plastic_dislotwin_postResults(Mp,Temperature,instance,of) result(postRe select case(prm%outputID(o)) case (rho_mob_ID) - postResults(c+1:c+prm%totalNslip) = stt%rhoEdge(1:prm%totalNslip,of) - c = c + prm%totalNslip + postResults(c+1:c+prm%sum_N_sl) = stt%rhoEdge(1:prm%sum_N_sl,of) + c = c + prm%sum_N_sl case (rho_dip_ID) - postResults(c+1:c+prm%totalNslip) = stt%rhoEdgeDip(1:prm%totalNslip,of) - c = c + prm%totalNslip + postResults(c+1:c+prm%sum_N_sl) = stt%rhoEdgeDip(1:prm%sum_N_sl,of) + c = c + prm%sum_N_sl case (gamma_dot_sl_ID) - call kinetics_slip(Mp,temperature,instance,of,postResults(c+1:c+prm%totalNslip)) - c = c + prm%totalNslip + call kinetics_slip(Mp,temperature,instance,of,postResults(c+1:c+prm%sum_N_sl)) + c = c + prm%sum_N_sl case (gamma_sl_ID) - postResults(c+1:c+prm%totalNslip) = stt%accshear_slip(1:prm%totalNslip,of) - c = c + prm%totalNslip - case (mfp_slip_ID) - postResults(c+1:c+prm%totalNslip) = dst%Lambda_sl(1:prm%totalNslip,of) - c = c + prm%totalNslip + postResults(c+1:c+prm%sum_N_sl) = stt%accshear_slip(1:prm%sum_N_sl,of) + c = c + prm%sum_N_sl + case (Lambda_sl_ID) + postResults(c+1:c+prm%sum_N_sl) = dst%Lambda_sl(1:prm%sum_N_sl,of) + c = c + prm%sum_N_sl case (resolved_stress_slip_ID) - do j = 1, prm%totalNslip + do j = 1, prm%sum_N_sl postResults(c+j) = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,j)) enddo - c = c + prm%totalNslip + c = c + prm%sum_N_sl case (threshold_stress_slip_ID) - postResults(c+1:c+prm%totalNslip) = dst%tau_pass(1:prm%totalNslip,of) - c = c + prm%totalNslip + postResults(c+1:c+prm%sum_N_sl) = dst%tau_pass(1:prm%sum_N_sl,of) + c = c + prm%sum_N_sl case (f_tw_ID) - postResults(c+1:c+prm%totalNtwin) = stt%twinFraction(1:prm%totalNtwin,of) - c = c + prm%totalNtwin - case (mfp_twin_ID) - postResults(c+1:c+prm%totalNtwin) = dst%Lambda_tw(1:prm%totalNtwin,of) - c = c + prm%totalNtwin + postResults(c+1:c+prm%sum_N_tw) = stt%twinFraction(1:prm%sum_N_tw,of) + c = c + prm%sum_N_tw + case (Lambda_tw_ID) + postResults(c+1:c+prm%sum_N_tw) = dst%Lambda_tw(1:prm%sum_N_tw,of) + c = c + prm%sum_N_tw case (resolved_stress_twin_ID) - do j = 1, prm%totalNtwin + do j = 1, prm%sum_N_tw postResults(c+j) = math_mul33xx33(Mp,prm%Schmid_twin(1:3,1:3,j)) enddo - c = c + prm%totalNtwin + c = c + prm%sum_N_tw case (threshold_stress_twin_ID) - postResults(c+1:c+prm%totalNtwin) = dst%threshold_stress_twin(1:prm%totalNtwin,of) - c = c + prm%totalNtwin + postResults(c+1:c+prm%sum_N_tw) = dst%threshold_stress_twin(1:prm%sum_N_tw,of) + c = c + prm%sum_N_tw - case (strain_trans_fraction_ID) - postResults(c+1:c+prm%totalNtrans) = stt%strainTransFraction(1:prm%totalNtrans,of) - c = c + prm%totalNtrans + case (f_tr_ID) + postResults(c+1:c+prm%sum_N_tr) = stt%strainTransFraction(1:prm%sum_N_tr,of) + c = c + prm%sum_N_tr end select enddo @@ -1109,7 +1109,7 @@ end subroutine plastic_dislotwin_results ! have the optional arguments at the end !-------------------------------------------------------------------------------------------------- pure subroutine kinetics_slip(Mp,Temperature,instance,of, & - gdot_slip,dgdot_dtau_slip,tau_slip) + dot_gamma_sl,dgamma_dtau_slip,tau_slip) use prec, only: & tol_math_check, & dNeq0 @@ -1125,15 +1125,15 @@ pure subroutine kinetics_slip(Mp,Temperature,instance,of, & instance, & of - real(pReal), dimension(param(instance)%totalNslip), intent(out) :: & - gdot_slip - real(pReal), dimension(param(instance)%totalNslip), optional, intent(out) :: & - dgdot_dtau_slip, & + real(pReal), dimension(param(instance)%sum_N_sl), intent(out) :: & + dot_gamma_sl + real(pReal), dimension(param(instance)%sum_N_sl), optional, intent(out) :: & + dgamma_dtau_slip, & tau_slip - real(pReal), dimension(param(instance)%totalNslip) :: & - dgdot_dtau + real(pReal), dimension(param(instance)%sum_N_sl) :: & + dgamma_dtau - real(pReal), dimension(param(instance)%totalNslip) :: & + real(pReal), dimension(param(instance)%sum_N_sl) :: & tau, & stressRatio, & StressRatio_p, & @@ -1148,7 +1148,7 @@ pure subroutine kinetics_slip(Mp,Temperature,instance,of, & associate(prm => param(instance), stt => state(instance), dst => microstructure(instance)) - do i = 1, prm%totalNslip + do i = 1, prm%sum_N_sl tau(i) = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,i)) enddo @@ -1161,7 +1161,7 @@ pure subroutine kinetics_slip(Mp,Temperature,instance,of, & v_wait_inverse = prm%v0**(-1.0_pReal) * exp(BoltzmannRatio*(1.0_pReal-StressRatio_p)** prm%q) v_run_inverse = prm%B/(tau_eff*prm%b_sl) - gdot_slip = sign(stt%rhoEdge(:,of)*prm%b_sl/(v_wait_inverse+v_run_inverse),tau) + dot_gamma_sl = sign(stt%rhoEdge(:,of)*prm%b_sl/(v_wait_inverse+v_run_inverse),tau) dV_wait_inverse_dTau = v_wait_inverse * prm%p * prm%q * BoltzmannRatio & * (stressRatio**(prm%p-1.0_pReal)) & @@ -1170,15 +1170,15 @@ pure subroutine kinetics_slip(Mp,Temperature,instance,of, & dV_run_inverse_dTau = v_run_inverse/tau_eff dV_dTau = (dV_wait_inverse_dTau+dV_run_inverse_dTau) & / (v_wait_inverse+v_run_inverse)**2.0_pReal - dgdot_dtau = dV_dTau*stt%rhoEdge(:,of)*prm%b_sl + dgamma_dtau = dV_dTau*stt%rhoEdge(:,of)*prm%b_sl else where significantStress - gdot_slip = 0.0_pReal - dgdot_dtau = 0.0_pReal + dot_gamma_sl = 0.0_pReal + dgamma_dtau = 0.0_pReal end where significantStress end associate - if(present(dgdot_dtau_slip)) dgdot_dtau_slip = dgdot_dtau + if(present(dgamma_dtau_slip)) dgamma_dtau_slip = dgamma_dtau if(present(tau_slip)) tau_slip = tau end subroutine kinetics_slip @@ -1187,8 +1187,8 @@ end subroutine kinetics_slip !-------------------------------------------------------------------------------------------------- !> @brief calculates shear rates on twin systems !-------------------------------------------------------------------------------------------------- -pure subroutine kinetics_twin(Mp,temperature,gdot_slip,instance,of,& - gdot_twin,dgdot_dtau_twin) +pure subroutine kinetics_twin(Mp,temperature,dot_gamma_sl,instance,of,& + dot_gamma_twin,dgamma_dtau_twin) use prec, only: & tol_math_check, & dNeq0 @@ -1203,32 +1203,32 @@ pure subroutine kinetics_twin(Mp,temperature,gdot_slip,instance,of,& integer, intent(in) :: & instance, & of - real(pReal), dimension(param(instance)%totalNslip), intent(in) :: & - gdot_slip + real(pReal), dimension(param(instance)%sum_N_sl), intent(in) :: & + dot_gamma_sl - real(pReal), dimension(param(instance)%totalNtwin), intent(out) :: & - gdot_twin - real(pReal), dimension(param(instance)%totalNtwin), optional, intent(out) :: & - dgdot_dtau_twin + real(pReal), dimension(param(instance)%sum_N_tw), intent(out) :: & + dot_gamma_twin + real(pReal), dimension(param(instance)%sum_N_tw), optional, intent(out) :: & + dgamma_dtau_twin - real, dimension(param(instance)%totalNtwin) :: & + real, dimension(param(instance)%sum_N_tw) :: & tau, & Ndot0, & stressRatio_r, & - dgdot_dtau + dgamma_dtau integer :: i,s1,s2 associate(prm => param(instance), stt => state(instance), dst => microstructure(instance)) - do i = 1, prm%totalNtwin + do i = 1, prm%sum_N_tw tau(i) = math_mul33xx33(Mp,prm%Schmid_twin(1:3,1:3,i)) isFCC: if (prm%fccTwinTransNucleation) then s1=prm%fcc_twinNucleationSlipPair(1,i) s2=prm%fcc_twinNucleationSlipPair(2,i) if (tau(i) < dst%tau_r_twin(i,of)) then - Ndot0=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& - abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& ! ToDo: MD: it would be more consistent to use shearrates from state + Ndot0=(abs(dot_gamma_sl(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& + abs(dot_gamma_sl(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& ! ToDo: MD: it would be more consistent to use shearrates from state (prm%L0_twin*prm%b_sl(i))*& (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& (dst%tau_r_twin(i,of)-tau))) @@ -1242,16 +1242,16 @@ pure subroutine kinetics_twin(Mp,temperature,gdot_slip,instance,of,& significantStress: where(tau > tol_math_check) StressRatio_r = (dst%threshold_stress_twin(:,of)/tau)**prm%r - gdot_twin = prm%shear_twin * dst%twinVolume(:,of) * Ndot0*exp(-StressRatio_r) - dgdot_dtau = (gdot_twin*prm%r/tau)*StressRatio_r + dot_gamma_twin = prm%shear_twin * dst%twinVolume(:,of) * Ndot0*exp(-StressRatio_r) + dgamma_dtau = (dot_gamma_twin*prm%r/tau)*StressRatio_r else where significantStress - gdot_twin = 0.0_pReal - dgdot_dtau = 0.0_pReal + dot_gamma_twin = 0.0_pReal + dgamma_dtau = 0.0_pReal end where significantStress end associate - if(present(dgdot_dtau_twin)) dgdot_dtau_twin = dgdot_dtau + if(present(dgamma_dtau_twin)) dgamma_dtau_twin = dgamma_dtau end subroutine kinetics_twin @@ -1259,8 +1259,8 @@ end subroutine kinetics_twin !-------------------------------------------------------------------------------------------------- !> @brief calculates shear rates on twin systems !-------------------------------------------------------------------------------------------------- -pure subroutine kinetics_trans(Mp,temperature,gdot_slip,instance,of,& - gdot_trans,dgdot_dtau_trans) +pure subroutine kinetics_trans(Mp,temperature,dot_gamma_sl,instance,of,& + dot_gamma_trans,dgamma_dtau_trans) use prec, only: & tol_math_check, & dNeq0 @@ -1275,32 +1275,32 @@ pure subroutine kinetics_trans(Mp,temperature,gdot_slip,instance,of,& integer, intent(in) :: & instance, & of - real(pReal), dimension(param(instance)%totalNslip), intent(in) :: & - gdot_slip + real(pReal), dimension(param(instance)%sum_N_sl), intent(in) :: & + dot_gamma_sl - real(pReal), dimension(param(instance)%totalNtrans), intent(out) :: & - gdot_trans - real(pReal), dimension(param(instance)%totalNtrans), optional, intent(out) :: & - dgdot_dtau_trans + real(pReal), dimension(param(instance)%sum_N_tr), intent(out) :: & + dot_gamma_trans + real(pReal), dimension(param(instance)%sum_N_tr), optional, intent(out) :: & + dgamma_dtau_trans - real, dimension(param(instance)%totalNtrans) :: & + real, dimension(param(instance)%sum_N_tr) :: & tau, & Ndot0, & stressRatio_s, & - dgdot_dtau + dgamma_dtau integer :: i,s1,s2 associate(prm => param(instance), stt => state(instance), dst => microstructure(instance)) - do i = 1, prm%totalNtrans + do i = 1, prm%sum_N_tr tau(i) = math_mul33xx33(Mp,prm%Schmid_trans(1:3,1:3,i)) isFCC: if (prm%fccTwinTransNucleation) then s1=prm%fcc_twinNucleationSlipPair(1,i) s2=prm%fcc_twinNucleationSlipPair(2,i) if (tau(i) < dst%tau_r_trans(i,of)) then - Ndot0=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& - abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& ! ToDo: MD: it would be more consistent to use shearrates from state + Ndot0=(abs(dot_gamma_sl(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& + abs(dot_gamma_sl(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& ! ToDo: MD: it would be more consistent to use shearrates from state (prm%L0_trans*prm%b_sl(i))*& (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& (dst%tau_r_trans(i,of)-tau))) @@ -1314,16 +1314,16 @@ pure subroutine kinetics_trans(Mp,temperature,gdot_slip,instance,of,& significantStress: where(tau > tol_math_check) StressRatio_s = (dst%threshold_stress_trans(:,of)/tau)**prm%s - gdot_trans = dst%martensiteVolume(:,of) * Ndot0*exp(-StressRatio_s) - dgdot_dtau = (gdot_trans*prm%r/tau)*StressRatio_s + dot_gamma_trans = dst%martensiteVolume(:,of) * Ndot0*exp(-StressRatio_s) + dgamma_dtau = (dot_gamma_trans*prm%r/tau)*StressRatio_s else where significantStress - gdot_trans = 0.0_pReal - dgdot_dtau = 0.0_pReal + dot_gamma_trans = 0.0_pReal + dgamma_dtau = 0.0_pReal end where significantStress end associate - if(present(dgdot_dtau_trans)) dgdot_dtau_trans = dgdot_dtau + if(present(dgamma_dtau_trans)) dgamma_dtau_trans = dgamma_dtau end subroutine kinetics_trans From 9936b382fde5442fce360f797fade6077d8915cc Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Wed, 20 Mar 2019 21:51:52 +0100 Subject: [PATCH 11/21] more renames --- src/plastic_dislotwin.f90 | 255 +++++++++++++++++++------------------- 1 file changed, 125 insertions(+), 130 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index d62db7d2b..b9534a6f9 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -45,11 +45,11 @@ module plastic_dislotwin nu, & D0, & !< prefactor for self-diffusion coefficient Qsd, & !< activation energy for dislocation climb - GrainSize, & !1.0_pReal)) extmsg = trim(extmsg)//' p' if (any(prm%q< 1.0_pReal .or. prm%q>2.0_pReal)) extmsg = trim(extmsg)//' q' @@ -344,9 +339,9 @@ subroutine plastic_dislotwin_init prm%twinsize = config%getFloats('twinsize', requiredSize=size(prm%N_tw)) prm%r = config%getFloats('r_twin', requiredSize=size(prm%N_tw)) - prm%xc_twin = config%getFloat('xc_twin') - prm%L0_twin = config%getFloat('l0_twin') - prm%Cmfptwin = config%getFloat('cmfptwin', defaultVal=0.0_pReal) ! ToDo: How to handle that??? + prm%xc_twin = config%getFloat('xc_twin') + prm%L0_twin = config%getFloat('l0_twin') + prm%i_tw = config%getFloat('cmfptwin') prm%shear_twin = lattice_characteristicShear_Twin(prm%N_tw,config%getString('lattice_structure'),& config%getFloat('c/a',defaultVal=0.0_pReal)) @@ -379,7 +374,7 @@ subroutine plastic_dislotwin_init prm%b_tr = math_expand(prm%b_tr,prm%N_tr) prm%transStackHeight = config%getFloat('transstackheight', defaultVal=0.0_pReal) ! ToDo: How to handle that??? - prm%Cmfptrans = config%getFloat('cmfptrans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? + prm%i_tr = config%getFloat('cmfptrans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? prm%deltaG = config%getFloat('deltag') prm%xc_trans = config%getFloat('xc_trans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? prm%L0_trans = config%getFloat('l0_trans') @@ -451,7 +446,7 @@ subroutine plastic_dislotwin_init - prm%GrainSize = config%getFloat('grainsize') + prm%D = config%getFloat('grainsize') prm%SolidSolutionStrength = config%getFloat('solidsolutionstrength') ! Deprecated if (config%keyExists('dipoleformationfactor')) call IO_error(1,ext_msg='use /nodipoleformation/') @@ -531,9 +526,9 @@ subroutine plastic_dislotwin_init !-------------------------------------------------------------------------------------------------- ! allocate state arrays NipcMyPhase = count(material_phase == p) - sizeDotState = size(['rho ','rhoDip ','accshearslip']) * prm%sum_N_sl & - + size(['twinFraction']) * prm%sum_N_tw & - + size(['strainTransFraction']) * prm%sum_N_tr + sizeDotState = size(['rho_mob ','rho_dip ','gamma_sl']) * prm%sum_N_sl & + + size(['f_tw']) * prm%sum_N_tw & + + size(['f_tr']) * prm%sum_N_tr sizeState = sizeDotState call material_allocatePlasticState(p,NipcMyPhase,sizeState,sizeDotState,0, & @@ -545,16 +540,16 @@ subroutine plastic_dislotwin_init ! locally defined state aliases and initialization of state0 and aTolState startIndex = 1 endIndex = prm%sum_N_sl - stt%rhoEdge=>plasticState(p)%state(startIndex:endIndex,:) - stt%rhoEdge= spread(prm%rho_mob_0,2,NipcMyPhase) - dot%rhoEdge=>plasticState(p)%dotState(startIndex:endIndex,:) + stt%rho_mob=>plasticState(p)%state(startIndex:endIndex,:) + stt%rho_mob= spread(prm%rho_mob_0,2,NipcMyPhase) + dot%rho_mob=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTol_rho startIndex = endIndex + 1 endIndex = endIndex + prm%sum_N_sl - stt%rhoEdgeDip=>plasticState(p)%state(startIndex:endIndex,:) - stt%rhoEdgeDip= spread(prm%rho_dip_0,2,NipcMyPhase) - dot%rhoEdgeDip=>plasticState(p)%dotState(startIndex:endIndex,:) + stt%rho_dip=>plasticState(p)%state(startIndex:endIndex,:) + stt%rho_dip= spread(prm%rho_dip_0,2,NipcMyPhase) + dot%rho_dip=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTol_rho startIndex = endIndex + 1 @@ -568,8 +563,8 @@ subroutine plastic_dislotwin_init startIndex = endIndex + 1 endIndex = endIndex + prm%sum_N_tw - stt%twinFraction=>plasticState(p)%state(startIndex:endIndex,:) - dot%twinFraction=>plasticState(p)%dotState(startIndex:endIndex,:) + stt%f_tw=>plasticState(p)%state(startIndex:endIndex,:) + dot%f_tw=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTol_f_tw startIndex = endIndex + 1 @@ -583,13 +578,13 @@ subroutine plastic_dislotwin_init allocate(dst%Lambda_tw (prm%sum_N_tw, NipcMyPhase),source=0.0_pReal) allocate(dst%threshold_stress_twin (prm%sum_N_tw, NipcMyPhase),source=0.0_pReal) - allocate(dst%tau_r_twin (prm%sum_N_tw, NipcMyPhase),source=0.0_pReal) - allocate(dst%twinVolume (prm%sum_N_tw, NipcMyPhase),source=0.0_pReal) + allocate(dst%tau_r_tw (prm%sum_N_tw, NipcMyPhase),source=0.0_pReal) + allocate(dst%f_tw (prm%sum_N_tw, NipcMyPhase),source=0.0_pReal) allocate(dst%Lambda_tr (prm%sum_N_tr,NipcMyPhase),source=0.0_pReal) allocate(dst%threshold_stress_trans(prm%sum_N_tr,NipcMyPhase),source=0.0_pReal) - allocate(dst%tau_r_trans (prm%sum_N_tr,NipcMyPhase),source=0.0_pReal) - allocate(dst%martensiteVolume (prm%sum_N_tr,NipcMyPhase),source=0.0_pReal) + allocate(dst%tau_r_tr (prm%sum_N_tr,NipcMyPhase),source=0.0_pReal) + allocate(dst%f_tr (prm%sum_N_tr,NipcMyPhase),source=0.0_pReal) plasticState(p)%state0 = plasticState(p)%state ! ToDo: this could be done centrally @@ -627,13 +622,13 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el) result(homogenizedC) stt => state(phase_plasticityInstance(material_phase(ipc,ip,el)))) f_unrotated = 1.0_pReal & - - sum(stt%twinFraction(1:prm%sum_N_tw,of)) & + - sum(stt%f_tw(1:prm%sum_N_tw,of)) & - sum(stt%strainTransFraction(1:prm%sum_N_tr,of)) homogenizedC = f_unrotated * prm%C66 do i=1,prm%sum_N_tw homogenizedC = homogenizedC & - + stt%twinFraction(i,of)*prm%C66_twin(1:6,1:6,i) + + stt%f_tw(i,of)*prm%C66_twin(1:6,1:6,i) enddo do i=1,prm%sum_N_tr homogenizedC = homogenizedC & @@ -648,7 +643,7 @@ end function plastic_dislotwin_homogenizedC !-------------------------------------------------------------------------------------------------- !> @brief calculates plastic velocity gradient and its tangent !-------------------------------------------------------------------------------------------------- -subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,instance,of) +subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of) use prec, only: & tol_math_check, & dNeq0 @@ -664,7 +659,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,instance, real(pReal), dimension(3,3,3,3), intent(out) :: dLp_dMp real(pReal), dimension(3,3), intent(in) :: Mp integer, intent(in) :: instance,of - real(pReal), intent(in) :: Temperature + real(pReal), intent(in) :: T integer :: i,k,l,m,n real(pReal) :: f_unrotated,StressRatio_p,& @@ -676,7 +671,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,instance, real(pReal), dimension(param(instance)%sum_N_tw) :: & dot_gamma_twin,dgamma_dtau_twin real(pReal), dimension(param(instance)%sum_N_tr) :: & - dot_gamma_trans,dgamma_dtau_trans + dot_gamma_tr,dgamma_dtau_trans real(pReal):: dot_gamma_sb real(pReal), dimension(3,3) :: eigVectors, Schmid_shearBand real(pReal), dimension(3) :: eigValues @@ -704,13 +699,13 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,instance, associate(prm => param(instance), stt => state(instance)) f_unrotated = 1.0_pReal & - - sum(stt%twinFraction(1:prm%sum_N_tw,of)) & + - sum(stt%f_tw(1:prm%sum_N_tw,of)) & - sum(stt%strainTransFraction(1:prm%sum_N_tr,of)) Lp = 0.0_pReal dLp_dMp = 0.0_pReal - call kinetics_slip(Mp,temperature,instance,of,dot_gamma_sl,dgamma_dtau_slip) + call kinetics_slip(Mp,T,instance,of,dot_gamma_sl,dgamma_dtau_slip) slipContribution: do i = 1, prm%sum_N_sl Lp = Lp + dot_gamma_sl(i)*prm%Schmid_slip(1:3,1:3,i) forall (k=1:3,l=1:3,m=1:3,n=1:3) & @@ -724,7 +719,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,instance, shearBandingContribution: if(dNeq0(prm%sbVelocity)) then - BoltzmannRatio = prm%sbQedge/(kB*Temperature) + BoltzmannRatio = prm%sbQedge/(kB*T) call math_eigenValuesVectorsSym(Mp,eigValues,eigVectors,error) do i = 1,6 @@ -748,7 +743,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,instance, endif shearBandingContribution - call kinetics_twin(Mp,temperature,dot_gamma_sl,instance,of,dot_gamma_twin,dgamma_dtau_twin) + call kinetics_twin(Mp,T,dot_gamma_sl,instance,of,dot_gamma_twin,dgamma_dtau_twin) twinContibution: do i = 1, prm%sum_N_tw Lp = Lp + dot_gamma_twin(i)*prm%Schmid_twin(1:3,1:3,i) * f_unrotated forall (k=1:3,l=1:3,m=1:3,n=1:3) & @@ -756,9 +751,9 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,instance, + dgamma_dtau_twin(i)* prm%Schmid_twin(k,l,i)*prm%Schmid_twin(m,n,i) * f_unrotated enddo twinContibution - call kinetics_twin(Mp,temperature,dot_gamma_sl,instance,of,dot_gamma_trans,dgamma_dtau_trans) + call kinetics_twin(Mp,T,dot_gamma_sl,instance,of,dot_gamma_tr,dgamma_dtau_trans) transContibution: do i = 1, prm%sum_N_tr - Lp = Lp + dot_gamma_trans(i)*prm%Schmid_trans(1:3,1:3,i) * f_unrotated + Lp = Lp + dot_gamma_tr(i)*prm%Schmid_trans(1:3,1:3,i) * f_unrotated forall (k=1:3,l=1:3,m=1:3,n=1:3) & dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & + dgamma_dtau_trans(i)* prm%Schmid_trans(k,l,i)*prm%Schmid_trans(m,n,i) * f_unrotated @@ -773,7 +768,7 @@ end subroutine plastic_dislotwin_LpAndItsTangent !-------------------------------------------------------------------------------------------------- !> @brief calculates the rate of change of microstructure !-------------------------------------------------------------------------------------------------- -subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of) +subroutine plastic_dislotwin_dotState(Mp,T,instance,of) use prec, only: & tol_math_check, & dEq0 @@ -788,7 +783,7 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of) real(pReal), dimension(3,3), intent(in):: & Mp !< Mandel stress real(pReal), intent(in) :: & - temperature !< temperature at integration point + T !< temperature at integration point integer, intent(in) :: & instance, & of @@ -796,8 +791,8 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of) integer :: i real(pReal) :: f_unrotated,& VacancyDiffusion,& - EdgeDipDistance, ClimbVelocity,DotRhoEdgeDipClimb,DotRhoEdgeDipAnnihilation, & - DotRhoDipFormation,DotRhoEdgeEdgeAnnihilation, & + EdgeDipDistance, ClimbVelocity,Dotrho_dipClimb,Dotrho_dipAnnihilation, & + Dotrho_DipFormation,Dotrho_mobEdgeAnnihilation, & tau real(pReal), dimension(param(instance)%sum_N_sl) :: & EdgeDipMinDistance, & @@ -806,17 +801,17 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of) real(pReal), dimension(param(instance)%sum_N_tw) :: & dot_gamma_twin real(pReal), dimension(param(instance)%sum_N_tr) :: & - dot_gamma_trans + dot_gamma_tr associate(prm => param(instance), stt => state(instance), & dot => dotstate(instance), dst => microstructure(instance)) f_unrotated = 1.0_pReal & - - sum(stt%twinFraction(1:prm%sum_N_tw,of)) & + - sum(stt%f_tw(1:prm%sum_N_tw,of)) & - sum(stt%strainTransFraction(1:prm%sum_N_tr,of)) - VacancyDiffusion = prm%D0*exp(-prm%Qsd/(kB*Temperature)) + VacancyDiffusion = prm%D0*exp(-prm%Qsd/(kB*T)) - call kinetics_slip(Mp,temperature,instance,of,dot_gamma_sl) + call kinetics_slip(Mp,T,instance,of,dot_gamma_sl) dot%accshear_slip(:,of) = abs(dot_gamma_sl) DotRhoMultiplication = abs(dot_gamma_sl)/(prm%b_sl*dst%Lambda_sl(:,of)) @@ -826,46 +821,46 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of) tau = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,i)) significantSlipStress: if (dEq0(tau)) then - DotRhoDipFormation = 0.0_pReal - DotRhoEdgeDipClimb = 0.0_pReal + Dotrho_DipFormation = 0.0_pReal + Dotrho_dipClimb = 0.0_pReal else significantSlipStress EdgeDipDistance = 3.0_pReal*prm%mu*prm%b_sl(i)/(16.0_pReal*PI*abs(tau)) EdgeDipDistance = math_clip(EdgeDipDistance, right = dst%Lambda_sl(i,of)) EdgeDipDistance = math_clip(EdgeDipDistance, left = EdgeDipMinDistance(i)) if (prm%dipoleFormation) then - DotRhoDipFormation = 2.0_pReal*(EdgeDipDistance-EdgeDipMinDistance(i))/prm%b_sl(i) & - * stt%rhoEdge(i,of)*abs(dot_gamma_sl(i)) + Dotrho_DipFormation = 2.0_pReal*(EdgeDipDistance-EdgeDipMinDistance(i))/prm%b_sl(i) & + * stt%rho_mob(i,of)*abs(dot_gamma_sl(i)) else - DotRhoDipFormation = 0.0_pReal + Dotrho_DipFormation = 0.0_pReal endif if (dEq0(EdgeDipDistance-EdgeDipMinDistance(i))) then - DotRhoEdgeDipClimb = 0.0_pReal + Dotrho_dipClimb = 0.0_pReal else ClimbVelocity = 3.0_pReal*prm%mu*VacancyDiffusion*prm%atomicVolume(i) & - / (2.0_pReal*PI*kB*Temperature*(EdgeDipDistance+EdgeDipMinDistance(i))) - DotRhoEdgeDipClimb = 4.0_pReal*ClimbVelocity*stt%rhoEdgeDip(i,of) & + / (2.0_pReal*PI*kB*T*(EdgeDipDistance+EdgeDipMinDistance(i))) + Dotrho_dipClimb = 4.0_pReal*ClimbVelocity*stt%rho_dip(i,of) & / (EdgeDipDistance-EdgeDipMinDistance(i)) endif endif significantSlipStress !* Spontaneous annihilation of 2 single edge dislocations - DotRhoEdgeEdgeAnnihilation = 2.0_pReal*EdgeDipMinDistance(i)/prm%b_sl(i) & - * stt%rhoEdge(i,of)*abs(dot_gamma_sl(i)) + Dotrho_mobEdgeAnnihilation = 2.0_pReal*EdgeDipMinDistance(i)/prm%b_sl(i) & + * stt%rho_mob(i,of)*abs(dot_gamma_sl(i)) !* Spontaneous annihilation of a single edge dislocation with a dipole constituent - DotRhoEdgeDipAnnihilation = 2.0_pReal*EdgeDipMinDistance(i)/prm%b_sl(i) & - * stt%rhoEdgeDip(i,of)*abs(dot_gamma_sl(i)) + Dotrho_dipAnnihilation = 2.0_pReal*EdgeDipMinDistance(i)/prm%b_sl(i) & + * stt%rho_dip(i,of)*abs(dot_gamma_sl(i)) - dot%rhoEdge(i,of) = DotRhoMultiplication(i)-DotRhoDipFormation-DotRhoEdgeEdgeAnnihilation - dot%rhoEdgeDip(i,of) = DotRhoDipFormation-DotRhoEdgeDipAnnihilation-DotRhoEdgeDipClimb + dot%rho_mob(i,of) = DotRhoMultiplication(i)-Dotrho_DipFormation-Dotrho_mobEdgeAnnihilation + dot%rho_dip(i,of) = Dotrho_DipFormation-Dotrho_dipAnnihilation-Dotrho_dipClimb enddo slipState - call kinetics_twin(Mp,temperature,dot_gamma_sl,instance,of,dot_gamma_twin) - dot%twinFraction(:,of) = f_unrotated*dot_gamma_twin/prm%shear_twin + call kinetics_twin(Mp,T,dot_gamma_sl,instance,of,dot_gamma_twin) + dot%f_tw(:,of) = f_unrotated*dot_gamma_twin/prm%shear_twin - call kinetics_trans(Mp,temperature,dot_gamma_sl,instance,of,dot_gamma_trans) - dot%twinFraction(:,of) = f_unrotated*dot_gamma_trans + call kinetics_trans(Mp,T,dot_gamma_sl,instance,of,dot_gamma_tr) + dot%f_tw(:,of) = f_unrotated*dot_gamma_tr end associate @@ -875,7 +870,7 @@ end subroutine plastic_dislotwin_dotState !-------------------------------------------------------------------------------------------------- !> @brief calculates derived quantities from state !-------------------------------------------------------------------------------------------------- -subroutine plastic_dislotwin_dependentState(temperature,instance,of) +subroutine plastic_dislotwin_dependentState(T,instance,of) use math, only: & PI @@ -884,7 +879,7 @@ subroutine plastic_dislotwin_dependentState(temperature,instance,of) instance, & of real(pReal), intent(in) :: & - temperature + T integer :: & i @@ -909,20 +904,20 @@ subroutine plastic_dislotwin_dependentState(temperature,instance,of) stt => state(instance),& dst => microstructure(instance)) - sumf_twin = sum(stt%twinFraction(1:prm%sum_N_tw,of)) + sumf_twin = sum(stt%f_tw(1:prm%sum_N_tw,of)) sumf_trans = sum(stt%strainTransFraction(1:prm%sum_N_tr,of)) - SFE = prm%SFE_0K + prm%dSFE_dT * Temperature + SFE = prm%SFE_0K + prm%dSFE_dT * T !* rescaled volume fraction for topology - fOverStacksize = stt%twinFraction(1:prm%sum_N_tw,of)/prm%twinsize !ToDo: this is per system + fOverStacksize = stt%f_tw(1:prm%sum_N_tw,of)/prm%twinsize !ToDo: this is per system ftransOverLamellarSize = sumf_trans/prm%lamellarsize !ToDo: But this not ... !Todo: Physically ok, but naming could be adjusted forall (i = 1:prm%sum_N_sl) & lambda_sl_sl_inv(i) = & - sqrt(dot_product((stt%rhoEdge(1:prm%sum_N_sl,of)+stt%rhoEdgeDip(1:prm%sum_N_sl,of)),& + sqrt(dot_product((stt%rho_mob(1:prm%sum_N_sl,of)+stt%rho_dip(1:prm%sum_N_sl,of)),& prm%forestProjection(1:prm%sum_N_sl,i)))/prm%CLambdaSlip(i) ! change order and use matmul @@ -949,22 +944,22 @@ subroutine plastic_dislotwin_dependentState(temperature,instance,of) if ((prm%sum_N_tw > 0) .or. (prm%sum_N_tr > 0)) then ! ToDo: Change order dst%Lambda_sl(:,of) = & - prm%GrainSize/(1.0_pReal+prm%GrainSize*& + prm%D/(1.0_pReal+prm%D*& (lambda_sl_sl_inv + lambda_sl_tw_inv + lambda_sl_tr_inv)) else - dst%Lambda_sl(:,of) = prm%GrainSize & - / (1.0_pReal+prm%GrainSize*lambda_sl_sl_inv) !!!!!! correct? + dst%Lambda_sl(:,of) = prm%D & + / (1.0_pReal+prm%D*lambda_sl_sl_inv) !!!!!! correct? endif - dst%Lambda_tw(:,of) = prm%Cmfptwin *prm%GrainSize/(1.0_pReal+prm%GrainSize*lambda_tw_tw_inv) - dst%Lambda_tr(:,of) = prm%Cmfptrans*prm%GrainSize/(1.0_pReal+prm%GrainSize*lambda_tr_tr_inv) + dst%Lambda_tw(:,of) = prm%i_tw*prm%D/(1.0_pReal+prm%D*lambda_tw_tw_inv) + dst%Lambda_tr(:,of) = prm%i_tr*prm%D/(1.0_pReal+prm%D*lambda_tr_tr_inv) !* threshold stress for dislocation motion forall (i = 1:prm%sum_N_sl) dst%tau_pass(i,of) = & prm%mu*prm%b_sl(i)*& - sqrt(dot_product(stt%rhoEdge(1:prm%sum_N_sl,of)+stt%rhoEdgeDip(1:prm%sum_N_sl,of),& + sqrt(dot_product(stt%rho_mob(1:prm%sum_N_sl,of)+stt%rho_dip(1:prm%sum_N_sl,of),& prm%h_sl_sl(:,i))) !* threshold stress for growing twin/martensite @@ -977,15 +972,15 @@ subroutine plastic_dislotwin_dependentState(temperature,instance,of) (prm%L0_trans*prm%b_sl) + prm%transStackHeight*prm%deltaG/ (3.0_pReal*prm%b_tr) ) - dst%twinVolume(:,of) = (PI/4.0_pReal)*prm%twinsize*dst%Lambda_tw(:,of)**2.0_pReal - dst%martensiteVolume(:,of) = (PI/4.0_pReal)*prm%lamellarsize*dst%Lambda_tr(:,of)**2.0_pReal + dst%f_tw(:,of) = (PI/4.0_pReal)*prm%twinsize*dst%Lambda_tw(:,of)**2.0_pReal + dst%f_tr(:,of) = (PI/4.0_pReal)*prm%lamellarsize*dst%Lambda_tr(:,of)**2.0_pReal x0 = prm%mu*prm%b_tw**2.0_pReal/(SFE*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) ! ToDo: In the paper, this is the burgers vector for slip - dst%tau_r_twin(:,of) = prm%mu*prm%b_tw/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%xc_twin)+cos(pi/3.0_pReal)/x0) + dst%tau_r_tw(:,of) = prm%mu*prm%b_tw/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%xc_twin)+cos(pi/3.0_pReal)/x0) x0 = prm%mu*prm%b_tr**2.0_pReal/(SFE*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) ! ToDo: In the paper, this is the burgers vector for slip - dst%tau_r_trans(:,of) = prm%mu*prm%b_tr/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%xc_trans)+cos(pi/3.0_pReal)/x0) + dst%tau_r_tr(:,of) = prm%mu*prm%b_tr/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%xc_trans)+cos(pi/3.0_pReal)/x0) end associate @@ -995,7 +990,7 @@ end subroutine plastic_dislotwin_dependentState !-------------------------------------------------------------------------------------------------- !> @brief return array of constitutive results !-------------------------------------------------------------------------------------------------- -function plastic_dislotwin_postResults(Mp,Temperature,instance,of) result(postResults) +function plastic_dislotwin_postResults(Mp,T,instance,of) result(postResults) use prec, only: & tol_math_check, & dEq0 @@ -1007,7 +1002,7 @@ function plastic_dislotwin_postResults(Mp,Temperature,instance,of) result(postRe real(pReal), dimension(3,3),intent(in) :: & Mp !< 2nd Piola Kirchhoff stress tensor in Mandel notation real(pReal), intent(in) :: & - temperature !< temperature at integration point + T !< temperature at integration point integer, intent(in) :: & instance, & of @@ -1026,13 +1021,13 @@ function plastic_dislotwin_postResults(Mp,Temperature,instance,of) result(postRe select case(prm%outputID(o)) case (rho_mob_ID) - postResults(c+1:c+prm%sum_N_sl) = stt%rhoEdge(1:prm%sum_N_sl,of) + postResults(c+1:c+prm%sum_N_sl) = stt%rho_mob(1:prm%sum_N_sl,of) c = c + prm%sum_N_sl case (rho_dip_ID) - postResults(c+1:c+prm%sum_N_sl) = stt%rhoEdgeDip(1:prm%sum_N_sl,of) + postResults(c+1:c+prm%sum_N_sl) = stt%rho_dip(1:prm%sum_N_sl,of) c = c + prm%sum_N_sl case (gamma_dot_sl_ID) - call kinetics_slip(Mp,temperature,instance,of,postResults(c+1:c+prm%sum_N_sl)) + call kinetics_slip(Mp,T,instance,of,postResults(c+1:c+prm%sum_N_sl)) c = c + prm%sum_N_sl case (gamma_sl_ID) postResults(c+1:c+prm%sum_N_sl) = stt%accshear_slip(1:prm%sum_N_sl,of) @@ -1050,7 +1045,7 @@ function plastic_dislotwin_postResults(Mp,Temperature,instance,of) result(postRe c = c + prm%sum_N_sl case (f_tw_ID) - postResults(c+1:c+prm%sum_N_tw) = stt%twinFraction(1:prm%sum_N_tw,of) + postResults(c+1:c+prm%sum_N_tw) = stt%f_tw(1:prm%sum_N_tw,of) c = c + prm%sum_N_tw case (Lambda_tw_ID) postResults(c+1:c+prm%sum_N_tw) = dst%Lambda_tw(1:prm%sum_N_tw,of) @@ -1108,7 +1103,7 @@ end subroutine plastic_dislotwin_results ! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to ! have the optional arguments at the end !-------------------------------------------------------------------------------------------------- -pure subroutine kinetics_slip(Mp,Temperature,instance,of, & +pure subroutine kinetics_slip(Mp,T,instance,of, & dot_gamma_sl,dgamma_dtau_slip,tau_slip) use prec, only: & tol_math_check, & @@ -1120,7 +1115,7 @@ pure subroutine kinetics_slip(Mp,Temperature,instance,of, & real(pReal), dimension(3,3), intent(in) :: & Mp !< Mandel stress real(pReal), intent(in) :: & - temperature !< temperature + T !< temperature integer, intent(in) :: & instance, & of @@ -1155,22 +1150,22 @@ pure subroutine kinetics_slip(Mp,Temperature,instance,of, & tau_eff = abs(tau)-dst%tau_pass(:,of) significantStress: where(tau_eff > tol_math_check) - stressRatio = tau_eff/(prm%SolidSolutionStrength+prm%tau_peierls) + stressRatio = tau_eff/prm%SolidSolutionStrength StressRatio_p = stressRatio** prm%p - BoltzmannRatio = prm%Qedge/(kB*Temperature) + BoltzmannRatio = prm%Delta_F/(kB*T) v_wait_inverse = prm%v0**(-1.0_pReal) * exp(BoltzmannRatio*(1.0_pReal-StressRatio_p)** prm%q) v_run_inverse = prm%B/(tau_eff*prm%b_sl) - dot_gamma_sl = sign(stt%rhoEdge(:,of)*prm%b_sl/(v_wait_inverse+v_run_inverse),tau) + dot_gamma_sl = sign(stt%rho_mob(:,of)*prm%b_sl/(v_wait_inverse+v_run_inverse),tau) dV_wait_inverse_dTau = v_wait_inverse * prm%p * prm%q * BoltzmannRatio & * (stressRatio**(prm%p-1.0_pReal)) & * (1.0_pReal-StressRatio_p)**(prm%q-1.0_pReal) & - / (prm%SolidSolutionStrength+prm%tau_peierls) + / prm%SolidSolutionStrength dV_run_inverse_dTau = v_run_inverse/tau_eff dV_dTau = (dV_wait_inverse_dTau+dV_run_inverse_dTau) & / (v_wait_inverse+v_run_inverse)**2.0_pReal - dgamma_dtau = dV_dTau*stt%rhoEdge(:,of)*prm%b_sl + dgamma_dtau = dV_dTau*stt%rho_mob(:,of)*prm%b_sl else where significantStress dot_gamma_sl = 0.0_pReal dgamma_dtau = 0.0_pReal @@ -1187,7 +1182,7 @@ end subroutine kinetics_slip !-------------------------------------------------------------------------------------------------- !> @brief calculates shear rates on twin systems !-------------------------------------------------------------------------------------------------- -pure subroutine kinetics_twin(Mp,temperature,dot_gamma_sl,instance,of,& +pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,instance,of,& dot_gamma_twin,dgamma_dtau_twin) use prec, only: & tol_math_check, & @@ -1199,7 +1194,7 @@ pure subroutine kinetics_twin(Mp,temperature,dot_gamma_sl,instance,of,& real(pReal), dimension(3,3), intent(in) :: & Mp !< Mandel stress real(pReal), intent(in) :: & - temperature !< temperature + T !< temperature integer, intent(in) :: & instance, & of @@ -1226,12 +1221,12 @@ pure subroutine kinetics_twin(Mp,temperature,dot_gamma_sl,instance,of,& isFCC: if (prm%fccTwinTransNucleation) then s1=prm%fcc_twinNucleationSlipPair(1,i) s2=prm%fcc_twinNucleationSlipPair(2,i) - if (tau(i) < dst%tau_r_twin(i,of)) then - Ndot0=(abs(dot_gamma_sl(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& - abs(dot_gamma_sl(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& ! ToDo: MD: it would be more consistent to use shearrates from state + if (tau(i) < dst%tau_r_tw(i,of)) then + Ndot0=(abs(dot_gamma_sl(s1))*(stt%rho_mob(s2,of)+stt%rho_dip(s2,of))+& + abs(dot_gamma_sl(s2))*(stt%rho_mob(s1,of)+stt%rho_dip(s1,of)))/& ! ToDo: MD: it would be more consistent to use shearrates from state (prm%L0_twin*prm%b_sl(i))*& - (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& - (dst%tau_r_twin(i,of)-tau))) + (1.0_pReal-exp(-prm%VcrossSlip/(kB*T)*& + (dst%tau_r_tw(i,of)-tau))) else Ndot0=0.0_pReal end if @@ -1242,7 +1237,7 @@ pure subroutine kinetics_twin(Mp,temperature,dot_gamma_sl,instance,of,& significantStress: where(tau > tol_math_check) StressRatio_r = (dst%threshold_stress_twin(:,of)/tau)**prm%r - dot_gamma_twin = prm%shear_twin * dst%twinVolume(:,of) * Ndot0*exp(-StressRatio_r) + dot_gamma_twin = prm%shear_twin * dst%f_tw(:,of) * Ndot0*exp(-StressRatio_r) dgamma_dtau = (dot_gamma_twin*prm%r/tau)*StressRatio_r else where significantStress dot_gamma_twin = 0.0_pReal @@ -1259,8 +1254,8 @@ end subroutine kinetics_twin !-------------------------------------------------------------------------------------------------- !> @brief calculates shear rates on twin systems !-------------------------------------------------------------------------------------------------- -pure subroutine kinetics_trans(Mp,temperature,dot_gamma_sl,instance,of,& - dot_gamma_trans,dgamma_dtau_trans) +pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,instance,of,& + dot_gamma_tr,dgamma_dtau_trans) use prec, only: & tol_math_check, & dNeq0 @@ -1271,7 +1266,7 @@ pure subroutine kinetics_trans(Mp,temperature,dot_gamma_sl,instance,of,& real(pReal), dimension(3,3), intent(in) :: & Mp !< Mandel stress real(pReal), intent(in) :: & - temperature !< temperature + T !< temperature integer, intent(in) :: & instance, & of @@ -1279,7 +1274,7 @@ pure subroutine kinetics_trans(Mp,temperature,dot_gamma_sl,instance,of,& dot_gamma_sl real(pReal), dimension(param(instance)%sum_N_tr), intent(out) :: & - dot_gamma_trans + dot_gamma_tr real(pReal), dimension(param(instance)%sum_N_tr), optional, intent(out) :: & dgamma_dtau_trans @@ -1298,12 +1293,12 @@ pure subroutine kinetics_trans(Mp,temperature,dot_gamma_sl,instance,of,& isFCC: if (prm%fccTwinTransNucleation) then s1=prm%fcc_twinNucleationSlipPair(1,i) s2=prm%fcc_twinNucleationSlipPair(2,i) - if (tau(i) < dst%tau_r_trans(i,of)) then - Ndot0=(abs(dot_gamma_sl(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& - abs(dot_gamma_sl(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& ! ToDo: MD: it would be more consistent to use shearrates from state + if (tau(i) < dst%tau_r_tr(i,of)) then + Ndot0=(abs(dot_gamma_sl(s1))*(stt%rho_mob(s2,of)+stt%rho_dip(s2,of))+& + abs(dot_gamma_sl(s2))*(stt%rho_mob(s1,of)+stt%rho_dip(s1,of)))/& ! ToDo: MD: it would be more consistent to use shearrates from state (prm%L0_trans*prm%b_sl(i))*& - (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& - (dst%tau_r_trans(i,of)-tau))) + (1.0_pReal-exp(-prm%VcrossSlip/(kB*T)*& + (dst%tau_r_tr(i,of)-tau))) else Ndot0=0.0_pReal end if @@ -1314,10 +1309,10 @@ pure subroutine kinetics_trans(Mp,temperature,dot_gamma_sl,instance,of,& significantStress: where(tau > tol_math_check) StressRatio_s = (dst%threshold_stress_trans(:,of)/tau)**prm%s - dot_gamma_trans = dst%martensiteVolume(:,of) * Ndot0*exp(-StressRatio_s) - dgamma_dtau = (dot_gamma_trans*prm%r/tau)*StressRatio_s + dot_gamma_tr = dst%f_tr(:,of) * Ndot0*exp(-StressRatio_s) + dgamma_dtau = (dot_gamma_tr*prm%r/tau)*StressRatio_s else where significantStress - dot_gamma_trans = 0.0_pReal + dot_gamma_tr = 0.0_pReal dgamma_dtau = 0.0_pReal end where significantStress From 17f955d3e8dc51ffbe2d957f2586226f476605e9 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Thu, 21 Mar 2019 07:29:38 +0100 Subject: [PATCH 12/21] still renaming --- src/plastic_dislotwin.f90 | 150 +++++++++++++++++++------------------- 1 file changed, 74 insertions(+), 76 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index b9534a6f9..64fdf39c4 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -46,16 +46,16 @@ module plastic_dislotwin D0, & !< prefactor for self-diffusion coefficient Qsd, & !< activation energy for dislocation climb D, & ! 0) then - prm%Schmid_slip = lattice_SchmidMatrix_slip(prm%N_sl,config%getString('lattice_structure'),& + prm%P_sl = lattice_SchmidMatrix_slip(prm%N_sl,config%getString('lattice_structure'),& config%getFloat('c/a',defaultVal=0.0_pReal)) prm%h_sl_sl = lattice_interaction_SlipBySlip(prm%N_sl, & config%getFloats('interaction_slipslip'), & @@ -329,7 +329,7 @@ subroutine plastic_dislotwin_init prm%N_tw = config%getInts('ntwin', defaultVal=emptyIntArray) prm%sum_N_tw = sum(prm%N_tw) if (prm%sum_N_tw > 0) then - prm%Schmid_twin = lattice_SchmidMatrix_twin(prm%N_tw,config%getString('lattice_structure'),& + prm%P_tw = lattice_SchmidMatrix_twin(prm%N_tw,config%getString('lattice_structure'),& config%getFloat('c/a',defaultVal=0.0_pReal)) prm%h_tw_tw = lattice_interaction_TwinByTwin(prm%N_tw,& config%getFloats('interaction_twintwin'), & @@ -340,13 +340,13 @@ subroutine plastic_dislotwin_init prm%r = config%getFloats('r_twin', requiredSize=size(prm%N_tw)) prm%xc_twin = config%getFloat('xc_twin') - prm%L0_twin = config%getFloat('l0_twin') + prm%L_tw = config%getFloat('l0_twin') prm%i_tw = config%getFloat('cmfptwin') - prm%shear_twin = lattice_characteristicShear_Twin(prm%N_tw,config%getString('lattice_structure'),& + prm%gamma_char = lattice_characteristicShear_Twin(prm%N_tw,config%getString('lattice_structure'),& config%getFloat('c/a',defaultVal=0.0_pReal)) - prm%C66_twin = lattice_C66_twin(prm%N_tw,prm%C66,config%getString('lattice_structure'),& + prm%C66_tw = lattice_C66_twin(prm%N_tw,prm%C66,config%getString('lattice_structure'),& config%getFloat('c/a',defaultVal=0.0_pReal)) if (.not. prm%fccTwinTransNucleation) then @@ -375,21 +375,21 @@ subroutine plastic_dislotwin_init prm%transStackHeight = config%getFloat('transstackheight', defaultVal=0.0_pReal) ! ToDo: How to handle that??? prm%i_tr = config%getFloat('cmfptrans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? - prm%deltaG = config%getFloat('deltag') + prm%gamma_fcc_hex = config%getFloat('deltag') prm%xc_trans = config%getFloat('xc_trans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? - prm%L0_trans = config%getFloat('l0_trans') + prm%L_tr = config%getFloat('l0_trans') - prm%interaction_TransTrans = lattice_interaction_TransByTrans(prm%N_tr,& + prm%h_tr_tr = lattice_interaction_TransByTrans(prm%N_tr,& config%getFloats('interaction_transtrans'), & config%getString('lattice_structure')) - prm%C66_trans = lattice_C66_trans(prm%N_tr,prm%C66, & + prm%C66_tr = lattice_C66_trans(prm%N_tr,prm%C66, & config%getString('trans_lattice_structure'), & 0.0_pReal, & config%getFloat('a_bcc', defaultVal=0.0_pReal), & config%getFloat('a_fcc', defaultVal=0.0_pReal)) - prm%Schmid_trans = lattice_SchmidMatrix_trans(prm%N_tr, & + prm%P_tr = lattice_SchmidMatrix_trans(prm%N_tr, & config%getString('trans_lattice_structure'), & 0.0_pReal, & config%getFloat('a_bcc', defaultVal=0.0_pReal), & @@ -411,7 +411,7 @@ subroutine plastic_dislotwin_init if (sum(prm%N_tw) > 0 .or. prm%sum_N_tr > 0) then prm%SFE_0K = config%getFloat('sfe_0k') prm%dSFE_dT = config%getFloat('dsfe_dt') - prm%VcrossSlip = config%getFloat('vcrossslip') + prm%V_cs = config%getFloat('vcrossslip') endif if (prm%sum_N_sl > 0 .and. prm%sum_N_tw > 0) then @@ -422,7 +422,7 @@ subroutine plastic_dislotwin_init endif if (prm%sum_N_sl > 0 .and. prm%sum_N_tr > 0) then - prm%interaction_SlipTrans = lattice_interaction_SlipByTrans(prm%N_sl,prm%N_tr,& + prm%h_sl_tr = lattice_interaction_SlipByTrans(prm%N_sl,prm%N_tr,& config%getFloats('interaction_sliptrans'), & config%getString('lattice_structure')) if (prm%fccTwinTransNucleation .and. prm%sum_N_tr > 12) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if N_tr is [6,6] @@ -434,14 +434,14 @@ subroutine plastic_dislotwin_init if (prm%sbVelocity > 0.0_pReal) then prm%sbResistance = config%getFloat('shearbandresistance') prm%sbQedge = config%getFloat('qedgepersbsystem') - prm%pShearBand = config%getFloat('p_shearband') - prm%qShearBand = config%getFloat('q_shearband') + prm%p_sb = config%getFloat('p_shearband') + prm%q_sb = config%getFloat('q_shearband') ! sanity checks if (prm%sbResistance < 0.0_pReal) extmsg = trim(extmsg)//' shearbandresistance' if (prm%sbQedge < 0.0_pReal) extmsg = trim(extmsg)//' qedgepersbsystem' - if (prm%pShearBand <= 0.0_pReal) extmsg = trim(extmsg)//' p_shearband' - if (prm%qShearBand <= 0.0_pReal) extmsg = trim(extmsg)//' q_shearband' + if (prm%p_sb <= 0.0_pReal) extmsg = trim(extmsg)//' p_shearband' + if (prm%q_sb <= 0.0_pReal) extmsg = trim(extmsg)//' q_shearband' endif @@ -554,8 +554,8 @@ subroutine plastic_dislotwin_init startIndex = endIndex + 1 endIndex = endIndex + prm%sum_N_sl - stt%accshear_slip=>plasticState(p)%state(startIndex:endIndex,:) - dot%accshear_slip=>plasticState(p)%dotState(startIndex:endIndex,:) + stt%gamma_sl=>plasticState(p)%state(startIndex:endIndex,:) + dot%gamma_sl=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = 1.0e6_pReal !ToDo: better make optional parameter ! global alias plasticState(p)%slipRate => plasticState(p)%dotState(startIndex:endIndex,:) @@ -569,8 +569,8 @@ subroutine plastic_dislotwin_init startIndex = endIndex + 1 endIndex = endIndex + prm%sum_N_tr - stt%strainTransFraction=>plasticState(p)%state(startIndex:endIndex,:) - dot%strainTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:) + stt%f_tr=>plasticState(p)%state(startIndex:endIndex,:) + dot%f_tr=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTol_f_tr allocate(dst%Lambda_sl (prm%sum_N_sl, NipcMyPhase),source=0.0_pReal) @@ -623,16 +623,16 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el) result(homogenizedC) f_unrotated = 1.0_pReal & - sum(stt%f_tw(1:prm%sum_N_tw,of)) & - - sum(stt%strainTransFraction(1:prm%sum_N_tr,of)) + - sum(stt%f_tr(1:prm%sum_N_tr,of)) homogenizedC = f_unrotated * prm%C66 do i=1,prm%sum_N_tw homogenizedC = homogenizedC & - + stt%f_tw(i,of)*prm%C66_twin(1:6,1:6,i) + + stt%f_tw(i,of)*prm%C66_tw(1:6,1:6,i) enddo do i=1,prm%sum_N_tr homogenizedC = homogenizedC & - + stt%strainTransFraction(i,of)*prm%C66_trans(1:6,1:6,i) + + stt%f_tr(i,of)*prm%C66_tr(1:6,1:6,i) enddo end associate @@ -700,17 +700,17 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of) f_unrotated = 1.0_pReal & - sum(stt%f_tw(1:prm%sum_N_tw,of)) & - - sum(stt%strainTransFraction(1:prm%sum_N_tr,of)) + - sum(stt%f_tr(1:prm%sum_N_tr,of)) Lp = 0.0_pReal dLp_dMp = 0.0_pReal call kinetics_slip(Mp,T,instance,of,dot_gamma_sl,dgamma_dtau_slip) slipContribution: do i = 1, prm%sum_N_sl - Lp = Lp + dot_gamma_sl(i)*prm%Schmid_slip(1:3,1:3,i) + Lp = Lp + dot_gamma_sl(i)*prm%P_sl(1:3,1:3,i) forall (k=1:3,l=1:3,m=1:3,n=1:3) & dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & - + dgamma_dtau_slip(i) * prm%Schmid_slip(k,l,i) * prm%Schmid_slip(m,n,i) + + dgamma_dtau_slip(i) * prm%P_sl(k,l,i) * prm%P_sl(m,n,i) enddo slipContribution !ToDo: Why do this before shear banding? @@ -728,11 +728,11 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of) tau = math_mul33xx33(Mp,Schmid_shearBand) significantShearBandStress: if (abs(tau) > tol_math_check) then - StressRatio_p = (abs(tau)/prm%sbResistance)**prm%pShearBand - dot_gamma_sb = sign(prm%sbVelocity*exp(-BoltzmannRatio*(1-StressRatio_p)**prm%qShearBand), tau) - dgamma_dtau = abs(dot_gamma_sb)*BoltzmannRatio* prm%pShearBand*prm%qShearBand/ prm%sbResistance & - * (abs(tau)/prm%sbResistance)**(prm%pShearBand-1.0_pReal) & - * (1.0_pReal-StressRatio_p)**(prm%qShearBand-1.0_pReal) + StressRatio_p = (abs(tau)/prm%sbResistance)**prm%p_sb + dot_gamma_sb = sign(prm%sbVelocity*exp(-BoltzmannRatio*(1-StressRatio_p)**prm%q_sb), tau) + dgamma_dtau = abs(dot_gamma_sb)*BoltzmannRatio* prm%p_sb*prm%q_sb/ prm%sbResistance & + * (abs(tau)/prm%sbResistance)**(prm%p_sb-1.0_pReal) & + * (1.0_pReal-StressRatio_p)**(prm%q_sb-1.0_pReal) Lp = Lp + dot_gamma_sb * Schmid_shearBand forall (k=1:3,l=1:3,m=1:3,n=1:3) & @@ -745,18 +745,18 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of) call kinetics_twin(Mp,T,dot_gamma_sl,instance,of,dot_gamma_twin,dgamma_dtau_twin) twinContibution: do i = 1, prm%sum_N_tw - Lp = Lp + dot_gamma_twin(i)*prm%Schmid_twin(1:3,1:3,i) * f_unrotated + Lp = Lp + dot_gamma_twin(i)*prm%P_tw(1:3,1:3,i) * f_unrotated forall (k=1:3,l=1:3,m=1:3,n=1:3) & dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & - + dgamma_dtau_twin(i)* prm%Schmid_twin(k,l,i)*prm%Schmid_twin(m,n,i) * f_unrotated + + dgamma_dtau_twin(i)* prm%P_tw(k,l,i)*prm%P_tw(m,n,i) * f_unrotated enddo twinContibution call kinetics_twin(Mp,T,dot_gamma_sl,instance,of,dot_gamma_tr,dgamma_dtau_trans) transContibution: do i = 1, prm%sum_N_tr - Lp = Lp + dot_gamma_tr(i)*prm%Schmid_trans(1:3,1:3,i) * f_unrotated + Lp = Lp + dot_gamma_tr(i)*prm%P_tr(1:3,1:3,i) * f_unrotated forall (k=1:3,l=1:3,m=1:3,n=1:3) & dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & - + dgamma_dtau_trans(i)* prm%Schmid_trans(k,l,i)*prm%Schmid_trans(m,n,i) * f_unrotated + + dgamma_dtau_trans(i)* prm%P_tr(k,l,i)*prm%P_tr(m,n,i) * f_unrotated enddo transContibution @@ -776,8 +776,6 @@ subroutine plastic_dislotwin_dotState(Mp,T,instance,of) math_clip, & math_mul33xx33, & PI - use material, only: & - plasticState implicit none real(pReal), dimension(3,3), intent(in):: & @@ -808,17 +806,17 @@ subroutine plastic_dislotwin_dotState(Mp,T,instance,of) f_unrotated = 1.0_pReal & - sum(stt%f_tw(1:prm%sum_N_tw,of)) & - - sum(stt%strainTransFraction(1:prm%sum_N_tr,of)) + - sum(stt%f_tr(1:prm%sum_N_tr,of)) VacancyDiffusion = prm%D0*exp(-prm%Qsd/(kB*T)) call kinetics_slip(Mp,T,instance,of,dot_gamma_sl) - dot%accshear_slip(:,of) = abs(dot_gamma_sl) + dot%gamma_sl(:,of) = abs(dot_gamma_sl) DotRhoMultiplication = abs(dot_gamma_sl)/(prm%b_sl*dst%Lambda_sl(:,of)) EdgeDipMinDistance = prm%CEdgeDipMinDistance*prm%b_sl slipState: do i = 1, prm%sum_N_sl - tau = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,i)) + tau = math_mul33xx33(Mp,prm%P_sl(1:3,1:3,i)) significantSlipStress: if (dEq0(tau)) then Dotrho_DipFormation = 0.0_pReal @@ -857,7 +855,7 @@ subroutine plastic_dislotwin_dotState(Mp,T,instance,of) enddo slipState call kinetics_twin(Mp,T,dot_gamma_sl,instance,of,dot_gamma_twin) - dot%f_tw(:,of) = f_unrotated*dot_gamma_twin/prm%shear_twin + dot%f_tw(:,of) = f_unrotated*dot_gamma_twin/prm%gamma_char call kinetics_trans(Mp,T,dot_gamma_sl,instance,of,dot_gamma_tr) dot%f_tw(:,of) = f_unrotated*dot_gamma_tr @@ -905,7 +903,7 @@ subroutine plastic_dislotwin_dependentState(T,instance,of) dst => microstructure(instance)) sumf_twin = sum(stt%f_tw(1:prm%sum_N_tw,of)) - sumf_trans = sum(stt%strainTransFraction(1:prm%sum_N_tr,of)) + sumf_trans = sum(stt%f_tr(1:prm%sum_N_tr,of)) SFE = prm%SFE_0K + prm%dSFE_dT * T @@ -934,11 +932,11 @@ subroutine plastic_dislotwin_dependentState(T,instance,of) if (prm%sum_N_tr > 0 .and. prm%sum_N_sl > 0) & lambda_sl_tr_inv = & ! ToDo: does not work if N_tr is not 12 - matmul(transpose(prm%interaction_SlipTrans),ftransOverLamellarSize)/(1.0_pReal-sumf_trans) ! ToDo: remove transpose + matmul(transpose(prm%h_sl_tr),ftransOverLamellarSize)/(1.0_pReal-sumf_trans) ! ToDo: remove transpose !ToDo: needed? if (prm%sum_N_tr > 0) & - lambda_tr_tr_inv = matmul(prm%interaction_TransTrans,ftransOverLamellarSize)/(1.0_pReal-sumf_trans) + lambda_tr_tr_inv = matmul(prm%h_tr_tr,ftransOverLamellarSize)/(1.0_pReal-sumf_trans) @@ -965,18 +963,18 @@ subroutine plastic_dislotwin_dependentState(T,instance,of) !* threshold stress for growing twin/martensite if(prm%sum_N_tw == prm%sum_N_sl) & dst%threshold_stress_twin(:,of) = & - (SFE/(3.0_pReal*prm%b_tw)+ 3.0_pReal*prm%b_tw*prm%mu/(prm%L0_twin*prm%b_sl)) ! slip burgers here correct? + (SFE/(3.0_pReal*prm%b_tw)+ 3.0_pReal*prm%b_tw*prm%mu/(prm%L_tw*prm%b_sl)) ! slip burgers here correct? if(prm%sum_N_tr == prm%sum_N_sl) & dst%threshold_stress_trans(:,of) = & (SFE/(3.0_pReal*prm%b_tr) + 3.0_pReal*prm%b_tr*prm%mu/& - (prm%L0_trans*prm%b_sl) + prm%transStackHeight*prm%deltaG/ (3.0_pReal*prm%b_tr) ) + (prm%L_tr*prm%b_sl) + prm%transStackHeight*prm%gamma_fcc_hex/ (3.0_pReal*prm%b_tr) ) dst%f_tw(:,of) = (PI/4.0_pReal)*prm%twinsize*dst%Lambda_tw(:,of)**2.0_pReal dst%f_tr(:,of) = (PI/4.0_pReal)*prm%lamellarsize*dst%Lambda_tr(:,of)**2.0_pReal - x0 = prm%mu*prm%b_tw**2.0_pReal/(SFE*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) ! ToDo: In the paper, this is the burgers vector for slip + x0 = prm%mu*prm%b_tw**2.0_pReal/(SFE*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) ! ToDo: In the paper, this is the burgers vector for slip and is the same for twin and trans dst%tau_r_tw(:,of) = prm%mu*prm%b_tw/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%xc_twin)+cos(pi/3.0_pReal)/x0) x0 = prm%mu*prm%b_tr**2.0_pReal/(SFE*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) ! ToDo: In the paper, this is the burgers vector for slip @@ -1030,14 +1028,14 @@ function plastic_dislotwin_postResults(Mp,T,instance,of) result(postResults) call kinetics_slip(Mp,T,instance,of,postResults(c+1:c+prm%sum_N_sl)) c = c + prm%sum_N_sl case (gamma_sl_ID) - postResults(c+1:c+prm%sum_N_sl) = stt%accshear_slip(1:prm%sum_N_sl,of) + postResults(c+1:c+prm%sum_N_sl) = stt%gamma_sl(1:prm%sum_N_sl,of) c = c + prm%sum_N_sl case (Lambda_sl_ID) postResults(c+1:c+prm%sum_N_sl) = dst%Lambda_sl(1:prm%sum_N_sl,of) c = c + prm%sum_N_sl case (resolved_stress_slip_ID) do j = 1, prm%sum_N_sl - postResults(c+j) = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,j)) + postResults(c+j) = math_mul33xx33(Mp,prm%P_sl(1:3,1:3,j)) enddo c = c + prm%sum_N_sl case (threshold_stress_slip_ID) @@ -1052,7 +1050,7 @@ function plastic_dislotwin_postResults(Mp,T,instance,of) result(postResults) c = c + prm%sum_N_tw case (resolved_stress_twin_ID) do j = 1, prm%sum_N_tw - postResults(c+j) = math_mul33xx33(Mp,prm%Schmid_twin(1:3,1:3,j)) + postResults(c+j) = math_mul33xx33(Mp,prm%P_tw(1:3,1:3,j)) enddo c = c + prm%sum_N_tw case (threshold_stress_twin_ID) @@ -1060,7 +1058,7 @@ function plastic_dislotwin_postResults(Mp,T,instance,of) result(postResults) c = c + prm%sum_N_tw case (f_tr_ID) - postResults(c+1:c+prm%sum_N_tr) = stt%strainTransFraction(1:prm%sum_N_tr,of) + postResults(c+1:c+prm%sum_N_tr) = stt%f_tr(1:prm%sum_N_tr,of) c = c + prm%sum_N_tr end select enddo @@ -1144,7 +1142,7 @@ pure subroutine kinetics_slip(Mp,T,instance,of, & associate(prm => param(instance), stt => state(instance), dst => microstructure(instance)) do i = 1, prm%sum_N_sl - tau(i) = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,i)) + tau(i) = math_mul33xx33(Mp,prm%P_sl(1:3,1:3,i)) enddo tau_eff = abs(tau)-dst%tau_pass(:,of) @@ -1217,15 +1215,15 @@ pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,instance,of,& associate(prm => param(instance), stt => state(instance), dst => microstructure(instance)) do i = 1, prm%sum_N_tw - tau(i) = math_mul33xx33(Mp,prm%Schmid_twin(1:3,1:3,i)) + tau(i) = math_mul33xx33(Mp,prm%P_tw(1:3,1:3,i)) isFCC: if (prm%fccTwinTransNucleation) then s1=prm%fcc_twinNucleationSlipPair(1,i) s2=prm%fcc_twinNucleationSlipPair(2,i) if (tau(i) < dst%tau_r_tw(i,of)) then Ndot0=(abs(dot_gamma_sl(s1))*(stt%rho_mob(s2,of)+stt%rho_dip(s2,of))+& abs(dot_gamma_sl(s2))*(stt%rho_mob(s1,of)+stt%rho_dip(s1,of)))/& ! ToDo: MD: it would be more consistent to use shearrates from state - (prm%L0_twin*prm%b_sl(i))*& - (1.0_pReal-exp(-prm%VcrossSlip/(kB*T)*& + (prm%L_tw*prm%b_sl(i))*& + (1.0_pReal-exp(-prm%V_cs/(kB*T)*& (dst%tau_r_tw(i,of)-tau))) else Ndot0=0.0_pReal @@ -1237,7 +1235,7 @@ pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,instance,of,& significantStress: where(tau > tol_math_check) StressRatio_r = (dst%threshold_stress_twin(:,of)/tau)**prm%r - dot_gamma_twin = prm%shear_twin * dst%f_tw(:,of) * Ndot0*exp(-StressRatio_r) + dot_gamma_twin = prm%gamma_char * dst%f_tw(:,of) * Ndot0*exp(-StressRatio_r) dgamma_dtau = (dot_gamma_twin*prm%r/tau)*StressRatio_r else where significantStress dot_gamma_twin = 0.0_pReal @@ -1289,15 +1287,15 @@ pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,instance,of,& associate(prm => param(instance), stt => state(instance), dst => microstructure(instance)) do i = 1, prm%sum_N_tr - tau(i) = math_mul33xx33(Mp,prm%Schmid_trans(1:3,1:3,i)) + tau(i) = math_mul33xx33(Mp,prm%P_tr(1:3,1:3,i)) isFCC: if (prm%fccTwinTransNucleation) then s1=prm%fcc_twinNucleationSlipPair(1,i) s2=prm%fcc_twinNucleationSlipPair(2,i) if (tau(i) < dst%tau_r_tr(i,of)) then Ndot0=(abs(dot_gamma_sl(s1))*(stt%rho_mob(s2,of)+stt%rho_dip(s2,of))+& abs(dot_gamma_sl(s2))*(stt%rho_mob(s1,of)+stt%rho_dip(s1,of)))/& ! ToDo: MD: it would be more consistent to use shearrates from state - (prm%L0_trans*prm%b_sl(i))*& - (1.0_pReal-exp(-prm%VcrossSlip/(kB*T)*& + (prm%L_tr*prm%b_sl(i))*& + (1.0_pReal-exp(-prm%V_cs/(kB*T)*& (dst%tau_r_tr(i,of)-tau))) else Ndot0=0.0_pReal From 5dc5a25ab3b40daee7498b322e52dfcfcae496fe Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 22 Mar 2019 06:48:38 +0100 Subject: [PATCH 13/21] simplified dotState --- src/plastic_dislotwin.f90 | 72 +++++++++++++++++++-------------------- 1 file changed, 35 insertions(+), 37 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 64fdf39c4..b2cba3ead 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -26,7 +26,7 @@ module plastic_dislotwin undefined_ID, & rho_mob_ID, & rho_dip_ID, & - gamma_dot_sl_ID, & + dot_gamma_sl_ID, & gamma_sl_ID, & Lambda_sl_ID, & resolved_stress_slip_ID, & @@ -481,7 +481,7 @@ subroutine plastic_dislotwin_init outputID = merge(rho_dip_ID,undefined_ID,prm%sum_N_sl > 0) outputSize = prm%sum_N_sl case ('shear_rate_slip','shearrate_slip') - outputID = merge(gamma_dot_sl_ID,undefined_ID,prm%sum_N_sl > 0) + outputID = merge(dot_gamma_sl_ID,undefined_ID,prm%sum_N_sl > 0) outputSize = prm%sum_N_sl case ('accumulated_shear_slip') outputID = merge(gamma_sl_ID,undefined_ID,prm%sum_N_sl > 0) @@ -673,7 +673,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of) real(pReal), dimension(param(instance)%sum_N_tr) :: & dot_gamma_tr,dgamma_dtau_trans real(pReal):: dot_gamma_sb - real(pReal), dimension(3,3) :: eigVectors, Schmid_shearBand + real(pReal), dimension(3,3) :: eigVectors, P_sb real(pReal), dimension(3) :: eigValues logical :: error real(pReal), dimension(3,6), parameter :: & @@ -723,9 +723,9 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of) call math_eigenValuesVectorsSym(Mp,eigValues,eigVectors,error) do i = 1,6 - Schmid_shearBand = 0.5_pReal * math_outer(math_mul33x3(eigVectors,sb_sComposition(1:3,i)),& + P_sb = 0.5_pReal * math_outer(math_mul33x3(eigVectors,sb_sComposition(1:3,i)),& math_mul33x3(eigVectors,sb_mComposition(1:3,i))) - tau = math_mul33xx33(Mp,Schmid_shearBand) + tau = math_mul33xx33(Mp,P_sb) significantShearBandStress: if (abs(tau) > tol_math_check) then StressRatio_p = (abs(tau)/prm%sbResistance)**prm%p_sb @@ -734,10 +734,10 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of) * (abs(tau)/prm%sbResistance)**(prm%p_sb-1.0_pReal) & * (1.0_pReal-StressRatio_p)**(prm%q_sb-1.0_pReal) - Lp = Lp + dot_gamma_sb * Schmid_shearBand + Lp = Lp + dot_gamma_sb * P_sb forall (k=1:3,l=1:3,m=1:3,n=1:3) & dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & - + dgamma_dtau * Schmid_shearBand(k,l) * Schmid_shearBand(m,n) + + dgamma_dtau * P_sb(k,l) * P_sb(m,n) endif significantShearBandStress enddo @@ -789,12 +789,12 @@ subroutine plastic_dislotwin_dotState(Mp,T,instance,of) integer :: i real(pReal) :: f_unrotated,& VacancyDiffusion,& - EdgeDipDistance, ClimbVelocity,Dotrho_dipClimb,Dotrho_dipAnnihilation, & - Dotrho_DipFormation,Dotrho_mobEdgeAnnihilation, & + rho_dip_distance, ClimbVelocity, & tau real(pReal), dimension(param(instance)%sum_N_sl) :: & - EdgeDipMinDistance, & - DotRhoMultiplication, & + dot_rho_dip_formation, & + dot_rho_dip_climb, & + rho_dip_distance_min, & dot_gamma_sl real(pReal), dimension(param(instance)%sum_N_tw) :: & dot_gamma_twin @@ -812,47 +812,45 @@ subroutine plastic_dislotwin_dotState(Mp,T,instance,of) call kinetics_slip(Mp,T,instance,of,dot_gamma_sl) dot%gamma_sl(:,of) = abs(dot_gamma_sl) - DotRhoMultiplication = abs(dot_gamma_sl)/(prm%b_sl*dst%Lambda_sl(:,of)) - EdgeDipMinDistance = prm%CEdgeDipMinDistance*prm%b_sl + rho_dip_distance_min = prm%CEdgeDipMinDistance*prm%b_sl slipState: do i = 1, prm%sum_N_sl tau = math_mul33xx33(Mp,prm%P_sl(1:3,1:3,i)) significantSlipStress: if (dEq0(tau)) then - Dotrho_DipFormation = 0.0_pReal - Dotrho_dipClimb = 0.0_pReal + dot_rho_dip_formation(i) = 0.0_pReal + dot_rho_dip_climb(i) = 0.0_pReal else significantSlipStress - EdgeDipDistance = 3.0_pReal*prm%mu*prm%b_sl(i)/(16.0_pReal*PI*abs(tau)) - EdgeDipDistance = math_clip(EdgeDipDistance, right = dst%Lambda_sl(i,of)) - EdgeDipDistance = math_clip(EdgeDipDistance, left = EdgeDipMinDistance(i)) + rho_dip_distance = 3.0_pReal*prm%mu*prm%b_sl(i)/(16.0_pReal*PI*abs(tau)) + rho_dip_distance = math_clip(rho_dip_distance, right = dst%Lambda_sl(i,of)) + rho_dip_distance = math_clip(rho_dip_distance, left = rho_dip_distance_min(i)) if (prm%dipoleFormation) then - Dotrho_DipFormation = 2.0_pReal*(EdgeDipDistance-EdgeDipMinDistance(i))/prm%b_sl(i) & - * stt%rho_mob(i,of)*abs(dot_gamma_sl(i)) + dot_rho_dip_formation(i) = 2.0_pReal*(rho_dip_distance-rho_dip_distance_min(i))/prm%b_sl(i) & + * stt%rho_mob(i,of)*abs(dot_gamma_sl(i)) else - Dotrho_DipFormation = 0.0_pReal + dot_rho_dip_formation(i) = 0.0_pReal endif - if (dEq0(EdgeDipDistance-EdgeDipMinDistance(i))) then - Dotrho_dipClimb = 0.0_pReal + if (dEq0(rho_dip_distance-rho_dip_distance_min(i))) then + dot_rho_dip_climb(i) = 0.0_pReal else ClimbVelocity = 3.0_pReal*prm%mu*VacancyDiffusion*prm%atomicVolume(i) & - / (2.0_pReal*PI*kB*T*(EdgeDipDistance+EdgeDipMinDistance(i))) - Dotrho_dipClimb = 4.0_pReal*ClimbVelocity*stt%rho_dip(i,of) & - / (EdgeDipDistance-EdgeDipMinDistance(i)) + / (2.0_pReal*PI*kB*T*(rho_dip_distance+rho_dip_distance_min(i))) + dot_rho_dip_climb(i) = 4.0_pReal*ClimbVelocity*stt%rho_dip(i,of) & + / (rho_dip_distance-rho_dip_distance_min(i)) endif endif significantSlipStress - - !* Spontaneous annihilation of 2 single edge dislocations - Dotrho_mobEdgeAnnihilation = 2.0_pReal*EdgeDipMinDistance(i)/prm%b_sl(i) & - * stt%rho_mob(i,of)*abs(dot_gamma_sl(i)) - !* Spontaneous annihilation of a single edge dislocation with a dipole constituent - Dotrho_dipAnnihilation = 2.0_pReal*EdgeDipMinDistance(i)/prm%b_sl(i) & - * stt%rho_dip(i,of)*abs(dot_gamma_sl(i)) - - dot%rho_mob(i,of) = DotRhoMultiplication(i)-Dotrho_DipFormation-Dotrho_mobEdgeAnnihilation - dot%rho_dip(i,of) = Dotrho_DipFormation-Dotrho_dipAnnihilation-Dotrho_dipClimb enddo slipState + + dot%rho_mob(:,of) = abs(dot_gamma_sl)/(prm%b_sl*dst%Lambda_sl(:,of)) & + - dot_rho_dip_formation & + - 2.0_pReal*rho_dip_distance_min/prm%b_sl * stt%rho_mob(:,of)*abs(dot_gamma_sl) + + dot%rho_dip(:,of) = dot_rho_dip_formation & + - 2.0_pReal*rho_dip_distance_min/prm%b_sl * stt%rho_dip(:,of)*abs(dot_gamma_sl) & + - dot_rho_dip_climb + call kinetics_twin(Mp,T,dot_gamma_sl,instance,of,dot_gamma_twin) dot%f_tw(:,of) = f_unrotated*dot_gamma_twin/prm%gamma_char @@ -1024,7 +1022,7 @@ function plastic_dislotwin_postResults(Mp,T,instance,of) result(postResults) case (rho_dip_ID) postResults(c+1:c+prm%sum_N_sl) = stt%rho_dip(1:prm%sum_N_sl,of) c = c + prm%sum_N_sl - case (gamma_dot_sl_ID) + case (dot_gamma_sl_ID) call kinetics_slip(Mp,T,instance,of,postResults(c+1:c+prm%sum_N_sl)) c = c + prm%sum_N_sl case (gamma_sl_ID) From 28caf5ed4d8d1128620ae21ef01570be39c4bb0a Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 22 Mar 2019 06:57:32 +0100 Subject: [PATCH 14/21] final rename (for the moment) --- src/plastic_dislotwin.f90 | 34 +++++++++++++++++----------------- 1 file changed, 17 insertions(+), 17 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index b2cba3ead..080e9e2fd 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -35,7 +35,7 @@ module plastic_dislotwin f_tw_ID, & Lambda_tw_ID, & resolved_stress_twin_ID, & - threshold_stress_twin_ID, & + tau_hat_tw_ID, & f_tr_ID end enum @@ -50,7 +50,7 @@ module plastic_dislotwin q_sb, & !< q-exponent in shear band velocity CEdgeDipMinDistance, & !< i_tw, & !< - SolidSolutionStrength, & !0) outputSize = prm%sum_N_tw - case ('threshold_stress_twin') - outputID = merge(threshold_stress_twin_ID,undefined_ID,prm%sum_N_tw >0) + case ('tau_hat_tw') + outputID = merge(tau_hat_tw_ID,undefined_ID,prm%sum_N_tw >0) outputSize = prm%sum_N_tw case ('strain_trans_fraction') @@ -577,12 +577,12 @@ subroutine plastic_dislotwin_init allocate(dst%tau_pass (prm%sum_N_sl, NipcMyPhase),source=0.0_pReal) allocate(dst%Lambda_tw (prm%sum_N_tw, NipcMyPhase),source=0.0_pReal) - allocate(dst%threshold_stress_twin (prm%sum_N_tw, NipcMyPhase),source=0.0_pReal) + allocate(dst%tau_hat_tw (prm%sum_N_tw, NipcMyPhase),source=0.0_pReal) allocate(dst%tau_r_tw (prm%sum_N_tw, NipcMyPhase),source=0.0_pReal) allocate(dst%f_tw (prm%sum_N_tw, NipcMyPhase),source=0.0_pReal) allocate(dst%Lambda_tr (prm%sum_N_tr,NipcMyPhase),source=0.0_pReal) - allocate(dst%threshold_stress_trans(prm%sum_N_tr,NipcMyPhase),source=0.0_pReal) + allocate(dst%tau_hat_tr (prm%sum_N_tr,NipcMyPhase),source=0.0_pReal) allocate(dst%tau_r_tr (prm%sum_N_tr,NipcMyPhase),source=0.0_pReal) allocate(dst%f_tr (prm%sum_N_tr,NipcMyPhase),source=0.0_pReal) @@ -960,10 +960,10 @@ subroutine plastic_dislotwin_dependentState(T,instance,of) !* threshold stress for growing twin/martensite if(prm%sum_N_tw == prm%sum_N_sl) & - dst%threshold_stress_twin(:,of) = & + dst%tau_hat_tw(:,of) = & (SFE/(3.0_pReal*prm%b_tw)+ 3.0_pReal*prm%b_tw*prm%mu/(prm%L_tw*prm%b_sl)) ! slip burgers here correct? if(prm%sum_N_tr == prm%sum_N_sl) & - dst%threshold_stress_trans(:,of) = & + dst%tau_hat_tr(:,of) = & (SFE/(3.0_pReal*prm%b_tr) + 3.0_pReal*prm%b_tr*prm%mu/& (prm%L_tr*prm%b_sl) + prm%transStackHeight*prm%gamma_fcc_hex/ (3.0_pReal*prm%b_tr) ) @@ -1051,8 +1051,8 @@ function plastic_dislotwin_postResults(Mp,T,instance,of) result(postResults) postResults(c+j) = math_mul33xx33(Mp,prm%P_tw(1:3,1:3,j)) enddo c = c + prm%sum_N_tw - case (threshold_stress_twin_ID) - postResults(c+1:c+prm%sum_N_tw) = dst%threshold_stress_twin(1:prm%sum_N_tw,of) + case (tau_hat_tw_ID) + postResults(c+1:c+prm%sum_N_tw) = dst%tau_hat_tw(1:prm%sum_N_tw,of) c = c + prm%sum_N_tw case (f_tr_ID) @@ -1146,7 +1146,7 @@ pure subroutine kinetics_slip(Mp,T,instance,of, & tau_eff = abs(tau)-dst%tau_pass(:,of) significantStress: where(tau_eff > tol_math_check) - stressRatio = tau_eff/prm%SolidSolutionStrength + stressRatio = tau_eff/prm%tau_0 StressRatio_p = stressRatio** prm%p BoltzmannRatio = prm%Delta_F/(kB*T) v_wait_inverse = prm%v0**(-1.0_pReal) * exp(BoltzmannRatio*(1.0_pReal-StressRatio_p)** prm%q) @@ -1157,7 +1157,7 @@ pure subroutine kinetics_slip(Mp,T,instance,of, & dV_wait_inverse_dTau = v_wait_inverse * prm%p * prm%q * BoltzmannRatio & * (stressRatio**(prm%p-1.0_pReal)) & * (1.0_pReal-StressRatio_p)**(prm%q-1.0_pReal) & - / prm%SolidSolutionStrength + / prm%tau_0 dV_run_inverse_dTau = v_run_inverse/tau_eff dV_dTau = (dV_wait_inverse_dTau+dV_run_inverse_dTau) & / (v_wait_inverse+v_run_inverse)**2.0_pReal @@ -1232,7 +1232,7 @@ pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,instance,of,& enddo significantStress: where(tau > tol_math_check) - StressRatio_r = (dst%threshold_stress_twin(:,of)/tau)**prm%r + StressRatio_r = (dst%tau_hat_tw(:,of)/tau)**prm%r dot_gamma_twin = prm%gamma_char * dst%f_tw(:,of) * Ndot0*exp(-StressRatio_r) dgamma_dtau = (dot_gamma_twin*prm%r/tau)*StressRatio_r else where significantStress @@ -1304,7 +1304,7 @@ pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,instance,of,& enddo significantStress: where(tau > tol_math_check) - StressRatio_s = (dst%threshold_stress_trans(:,of)/tau)**prm%s + StressRatio_s = (dst%tau_hat_tr(:,of)/tau)**prm%s dot_gamma_tr = dst%f_tr(:,of) * Ndot0*exp(-StressRatio_s) dgamma_dtau = (dot_gamma_tr*prm%r/tau)*StressRatio_s else where significantStress From f12b66b409246df003ed8d62f70221cf2a7b4541 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 22 Mar 2019 09:26:39 +0100 Subject: [PATCH 15/21] wrong keyword --- src/plastic_dislotwin.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 080e9e2fd..cd1e49816 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -505,7 +505,7 @@ subroutine plastic_dislotwin_init case ('resolved_stress_twin') outputID = merge(resolved_stress_twin_ID,undefined_ID,prm%sum_N_tw >0) outputSize = prm%sum_N_tw - case ('tau_hat_tw') + case ('threshold_stress_twin') outputID = merge(tau_hat_tw_ID,undefined_ID,prm%sum_N_tw >0) outputSize = prm%sum_N_tw From f50e6fe5ad608d84a583221de47c1ea8fd633d97 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 22 Mar 2019 11:32:55 +0100 Subject: [PATCH 16/21] [skip ci] adjusting to disloUCLA --- src/plastic_dislotwin.f90 | 136 +++++++++++++++++++------------------- 1 file changed, 68 insertions(+), 68 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index cd1e49816..07ba22e1a 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -75,8 +75,8 @@ module plastic_dislotwin b_tr, & !< absolute length of burgers vector [m] for each transformation system Delta_F,& !< activation energy for glide [J] for each slip system v0, & !< dislocation velocity prefactor [m/s] for each slip system - Ndot0_twin, & !< twin nucleation rate [1/m³s] for each twin system - Ndot0_trans, & !< trans nucleation rate [1/m³s] for each trans system + dot_N_0_tw, & !< twin nucleation rate [1/m³s] for each twin system + dot_N_0_tr, & !< trans nucleation rate [1/m³s] for each trans system twinsize, & !< twin thickness [m] for each twin system CLambdaSlip, & !< Adj. parameter for distance between 2 forest dislocations for each slip system atomicVolume, & @@ -105,19 +105,19 @@ module plastic_dislotwin C66_tw, & C66_tr integer :: & - sum_N_sl, & !< total number of active slip system - sum_N_tw, & !< total number of active twin system - sum_N_tr !< total number of active transformation system + sum_N_sl, & !< total number of active slip system + sum_N_tw, & !< total number of active twin system + sum_N_tr !< total number of active transformation system integer, dimension(:), allocatable :: & - N_sl, & !< number of active slip systems for each family - N_tw, & !< number of active twin systems for each family - N_tr !< number of active transformation systems for each family + N_sl, & !< number of active slip systems for each family + N_tw, & !< number of active twin systems for each family + N_tr !< number of active transformation systems for each family integer(kind(undefined_ID)), dimension(:), allocatable :: & - outputID !< ID of each post result output + outputID !< ID of each post result output logical :: & - fccTwinTransNucleation, & !< twinning and transformation models are for fcc - dipoleFormation !< flag indicating consideration of dipole formation - end type !< container type for internal constitutive parameters + fccTwinTransNucleation, & !< twinning and transformation models are for fcc + dipoleFormation !< flag indicating consideration of dipole formation + end type !< container type for internal constitutive parameters type, private :: tDislotwinState real(pReal), dimension(:,:), pointer :: & @@ -351,8 +351,8 @@ subroutine plastic_dislotwin_init config%getFloat('c/a',defaultVal=0.0_pReal)) if (.not. prm%fccTwinTransNucleation) then - prm%Ndot0_twin = config%getFloats('ndot0_twin') - prm%Ndot0_twin = math_expand(prm%Ndot0_twin,prm%N_tw) + prm%dot_N_0_tw = config%getFloats('ndot0_twin') + prm%dot_N_0_tw = math_expand(prm%dot_N_0_tw,prm%N_tw) endif ! expand: family => system @@ -397,8 +397,8 @@ subroutine plastic_dislotwin_init config%getFloat('a_fcc', defaultVal=0.0_pReal)) if (lattice_structure(p) /= LATTICE_fcc_ID) then - prm%Ndot0_trans = config%getFloats('ndot0_trans') - prm%Ndot0_trans = math_expand(prm%Ndot0_trans,prm%N_tr) + prm%dot_N_0_tr = config%getFloats('ndot0_trans') + prm%dot_N_0_tr = math_expand(prm%dot_N_0_tr,prm%N_tr) endif prm%lamellarsize = config%getFloats('lamellarsize') prm%lamellarsize = math_expand(prm%lamellarsize,prm%N_tr) @@ -454,7 +454,7 @@ subroutine plastic_dislotwin_init !if (Ndot0PerTwinFamily(f,p) < 0.0_pReal) & - ! call IO_error(211,el=p,ext_msg='ndot0_twin ('//PLASTICITY_DISLOTWIN_label//')') + ! call IO_error(211,el=p,ext_msg='dot_N_0_tw ('//PLASTICITY_DISLOTWIN_label//')') if (any(prm%atomicVolume <= 0.0_pReal)) & call IO_error(211,el=p,ext_msg='cAtomicVolume ('//PLASTICITY_DISLOTWIN_label//')') @@ -664,14 +664,14 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of) integer :: i,k,l,m,n real(pReal) :: f_unrotated,StressRatio_p,& BoltzmannRatio, & - dgamma_dtau, & + ddot_gamma_dtau, & tau real(pReal), dimension(param(instance)%sum_N_sl) :: & - dot_gamma_sl,dgamma_dtau_slip + dot_gamma_sl,ddot_gamma_dtau_slip real(pReal), dimension(param(instance)%sum_N_tw) :: & - dot_gamma_twin,dgamma_dtau_twin + dot_gamma_twin,ddot_gamma_dtau_twin real(pReal), dimension(param(instance)%sum_N_tr) :: & - dot_gamma_tr,dgamma_dtau_trans + dot_gamma_tr,ddot_gamma_dtau_trans real(pReal):: dot_gamma_sb real(pReal), dimension(3,3) :: eigVectors, P_sb real(pReal), dimension(3) :: eigValues @@ -705,12 +705,12 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of) Lp = 0.0_pReal dLp_dMp = 0.0_pReal - call kinetics_slip(Mp,T,instance,of,dot_gamma_sl,dgamma_dtau_slip) + call kinetics_slip(Mp,T,instance,of,dot_gamma_sl,ddot_gamma_dtau_slip) slipContribution: do i = 1, prm%sum_N_sl Lp = Lp + dot_gamma_sl(i)*prm%P_sl(1:3,1:3,i) forall (k=1:3,l=1:3,m=1:3,n=1:3) & dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & - + dgamma_dtau_slip(i) * prm%P_sl(k,l,i) * prm%P_sl(m,n,i) + + ddot_gamma_dtau_slip(i) * prm%P_sl(k,l,i) * prm%P_sl(m,n,i) enddo slipContribution !ToDo: Why do this before shear banding? @@ -730,33 +730,33 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of) significantShearBandStress: if (abs(tau) > tol_math_check) then StressRatio_p = (abs(tau)/prm%sbResistance)**prm%p_sb dot_gamma_sb = sign(prm%sbVelocity*exp(-BoltzmannRatio*(1-StressRatio_p)**prm%q_sb), tau) - dgamma_dtau = abs(dot_gamma_sb)*BoltzmannRatio* prm%p_sb*prm%q_sb/ prm%sbResistance & + ddot_gamma_dtau = abs(dot_gamma_sb)*BoltzmannRatio* prm%p_sb*prm%q_sb/ prm%sbResistance & * (abs(tau)/prm%sbResistance)**(prm%p_sb-1.0_pReal) & * (1.0_pReal-StressRatio_p)**(prm%q_sb-1.0_pReal) Lp = Lp + dot_gamma_sb * P_sb forall (k=1:3,l=1:3,m=1:3,n=1:3) & dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & - + dgamma_dtau * P_sb(k,l) * P_sb(m,n) + + ddot_gamma_dtau * P_sb(k,l) * P_sb(m,n) endif significantShearBandStress enddo endif shearBandingContribution - call kinetics_twin(Mp,T,dot_gamma_sl,instance,of,dot_gamma_twin,dgamma_dtau_twin) + call kinetics_twin(Mp,T,dot_gamma_sl,instance,of,dot_gamma_twin,ddot_gamma_dtau_twin) twinContibution: do i = 1, prm%sum_N_tw Lp = Lp + dot_gamma_twin(i)*prm%P_tw(1:3,1:3,i) * f_unrotated forall (k=1:3,l=1:3,m=1:3,n=1:3) & dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & - + dgamma_dtau_twin(i)* prm%P_tw(k,l,i)*prm%P_tw(m,n,i) * f_unrotated + + ddot_gamma_dtau_twin(i)* prm%P_tw(k,l,i)*prm%P_tw(m,n,i) * f_unrotated enddo twinContibution - call kinetics_twin(Mp,T,dot_gamma_sl,instance,of,dot_gamma_tr,dgamma_dtau_trans) + call kinetics_twin(Mp,T,dot_gamma_sl,instance,of,dot_gamma_tr,ddot_gamma_dtau_trans) transContibution: do i = 1, prm%sum_N_tr Lp = Lp + dot_gamma_tr(i)*prm%P_tr(1:3,1:3,i) * f_unrotated forall (k=1:3,l=1:3,m=1:3,n=1:3) & dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & - + dgamma_dtau_trans(i)* prm%P_tr(k,l,i)*prm%P_tr(m,n,i) * f_unrotated + + ddot_gamma_dtau_trans(i)* prm%P_tr(k,l,i)*prm%P_tr(m,n,i) * f_unrotated enddo transContibution @@ -882,13 +882,13 @@ subroutine plastic_dislotwin_dependentState(T,instance,of) real(pReal) :: & sumf_twin,SFE,sumf_trans real(pReal), dimension(param(instance)%sum_N_sl) :: & - lambda_sl_sl_inv, & !* 1/mean free distance between 2 forest dislocations seen by a moving dislocation - lambda_sl_tw_inv, & !* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation - lambda_sl_tr_inv !* 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation + inv_lambda_sl_sl, & !* 1/mean free distance between 2 forest dislocations seen by a moving dislocation + inv_lambda_sl_tw, & !* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation + inv_lambda_sl_tr !* 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation real(pReal), dimension(param(instance)%sum_N_tw) :: & - lambda_tw_tw_inv !* 1/mean free distance between 2 twin stacks from different systems seen by a growing twin + inv_lambda_tw_tw !* 1/mean free distance between 2 twin stacks from different systems seen by a growing twin real(pReal), dimension(param(instance)%sum_N_tr) :: & - lambda_tr_tr_inv !* 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite (1/lambda_trans) + inv_lambda_tr_tr !* 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite (1/lambda_trans) real(pReal), dimension(:), allocatable :: & x0, & @@ -912,45 +912,45 @@ subroutine plastic_dislotwin_dependentState(T,instance,of) forall (i = 1:prm%sum_N_sl) & - lambda_sl_sl_inv(i) = & + inv_lambda_sl_sl(i) = & sqrt(dot_product((stt%rho_mob(1:prm%sum_N_sl,of)+stt%rho_dip(1:prm%sum_N_sl,of)),& prm%forestProjection(1:prm%sum_N_sl,i)))/prm%CLambdaSlip(i) ! change order and use matmul if (prm%sum_N_tw > 0 .and. prm%sum_N_sl > 0) & - lambda_sl_tw_inv = & + inv_lambda_sl_tw = & matmul(transpose(prm%h_sl_tw),fOverStacksize)/(1.0_pReal-sumf_twin) ! ToDo: Change order/no transpose !ToDo: needed? if (prm%sum_N_tw > 0) & - lambda_tw_tw_inv = matmul(prm%h_tw_tw,fOverStacksize)/(1.0_pReal-sumf_twin) + inv_lambda_tw_tw = matmul(prm%h_tw_tw,fOverStacksize)/(1.0_pReal-sumf_twin) if (prm%sum_N_tr > 0 .and. prm%sum_N_sl > 0) & - lambda_sl_tr_inv = & ! ToDo: does not work if N_tr is not 12 + inv_lambda_sl_tr = & ! ToDo: does not work if N_tr is not 12 matmul(transpose(prm%h_sl_tr),ftransOverLamellarSize)/(1.0_pReal-sumf_trans) ! ToDo: remove transpose !ToDo: needed? if (prm%sum_N_tr > 0) & - lambda_tr_tr_inv = matmul(prm%h_tr_tr,ftransOverLamellarSize)/(1.0_pReal-sumf_trans) + inv_lambda_tr_tr = matmul(prm%h_tr_tr,ftransOverLamellarSize)/(1.0_pReal-sumf_trans) if ((prm%sum_N_tw > 0) .or. (prm%sum_N_tr > 0)) then ! ToDo: Change order dst%Lambda_sl(:,of) = & prm%D/(1.0_pReal+prm%D*& - (lambda_sl_sl_inv + lambda_sl_tw_inv + lambda_sl_tr_inv)) + (inv_lambda_sl_sl + inv_lambda_sl_tw + inv_lambda_sl_tr)) else dst%Lambda_sl(:,of) = prm%D & - / (1.0_pReal+prm%D*lambda_sl_sl_inv) !!!!!! correct? + / (1.0_pReal+prm%D*inv_lambda_sl_sl) !!!!!! correct? endif - dst%Lambda_tw(:,of) = prm%i_tw*prm%D/(1.0_pReal+prm%D*lambda_tw_tw_inv) - dst%Lambda_tr(:,of) = prm%i_tr*prm%D/(1.0_pReal+prm%D*lambda_tr_tr_inv) + dst%Lambda_tw(:,of) = prm%i_tw*prm%D/(1.0_pReal+prm%D*inv_lambda_tw_tw) + dst%Lambda_tr(:,of) = prm%i_tr*prm%D/(1.0_pReal+prm%D*inv_lambda_tr_tr) !* threshold stress for dislocation motion forall (i = 1:prm%sum_N_sl) dst%tau_pass(i,of) = & @@ -1100,7 +1100,7 @@ end subroutine plastic_dislotwin_results ! have the optional arguments at the end !-------------------------------------------------------------------------------------------------- pure subroutine kinetics_slip(Mp,T,instance,of, & - dot_gamma_sl,dgamma_dtau_slip,tau_slip) + dot_gamma_sl,ddot_gamma_dtau_slip,tau_slip) use prec, only: & tol_math_check, & dNeq0 @@ -1119,10 +1119,10 @@ pure subroutine kinetics_slip(Mp,T,instance,of, & real(pReal), dimension(param(instance)%sum_N_sl), intent(out) :: & dot_gamma_sl real(pReal), dimension(param(instance)%sum_N_sl), optional, intent(out) :: & - dgamma_dtau_slip, & + ddot_gamma_dtau_slip, & tau_slip real(pReal), dimension(param(instance)%sum_N_sl) :: & - dgamma_dtau + ddot_gamma_dtau real(pReal), dimension(param(instance)%sum_N_sl) :: & tau, & @@ -1154,23 +1154,23 @@ pure subroutine kinetics_slip(Mp,T,instance,of, & dot_gamma_sl = sign(stt%rho_mob(:,of)*prm%b_sl/(v_wait_inverse+v_run_inverse),tau) - dV_wait_inverse_dTau = v_wait_inverse * prm%p * prm%q * BoltzmannRatio & + dV_wait_inverse_dTau = -1.0_pReal * v_wait_inverse * prm%p * prm%q * BoltzmannRatio & * (stressRatio**(prm%p-1.0_pReal)) & * (1.0_pReal-StressRatio_p)**(prm%q-1.0_pReal) & / prm%tau_0 - dV_run_inverse_dTau = v_run_inverse/tau_eff - dV_dTau = (dV_wait_inverse_dTau+dV_run_inverse_dTau) & + dV_run_inverse_dTau = -1.0_pReal * v_run_inverse/tau_eff + dV_dTau = -1.0_pReal * (dV_wait_inverse_dTau+dV_run_inverse_dTau) & / (v_wait_inverse+v_run_inverse)**2.0_pReal - dgamma_dtau = dV_dTau*stt%rho_mob(:,of)*prm%b_sl + ddot_gamma_dtau = dV_dTau*stt%rho_mob(:,of)*prm%b_sl else where significantStress - dot_gamma_sl = 0.0_pReal - dgamma_dtau = 0.0_pReal + dot_gamma_sl = 0.0_pReal + ddot_gamma_dtau = 0.0_pReal end where significantStress end associate - if(present(dgamma_dtau_slip)) dgamma_dtau_slip = dgamma_dtau - if(present(tau_slip)) tau_slip = tau + if(present(ddot_gamma_dtau_slip)) ddot_gamma_dtau_slip = ddot_gamma_dtau + if(present(tau_slip)) tau_slip = tau end subroutine kinetics_slip @@ -1179,7 +1179,7 @@ end subroutine kinetics_slip !> @brief calculates shear rates on twin systems !-------------------------------------------------------------------------------------------------- pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,instance,of,& - dot_gamma_twin,dgamma_dtau_twin) + dot_gamma_twin,ddot_gamma_dtau_twin) use prec, only: & tol_math_check, & dNeq0 @@ -1200,13 +1200,13 @@ pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,instance,of,& real(pReal), dimension(param(instance)%sum_N_tw), intent(out) :: & dot_gamma_twin real(pReal), dimension(param(instance)%sum_N_tw), optional, intent(out) :: & - dgamma_dtau_twin + ddot_gamma_dtau_twin real, dimension(param(instance)%sum_N_tw) :: & tau, & Ndot0, & stressRatio_r, & - dgamma_dtau + ddot_gamma_dtau integer :: i,s1,s2 @@ -1227,22 +1227,22 @@ pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,instance,of,& Ndot0=0.0_pReal end if else isFCC - Ndot0=prm%Ndot0_twin(i) + Ndot0=prm%dot_N_0_tw(i) endif isFCC enddo significantStress: where(tau > tol_math_check) StressRatio_r = (dst%tau_hat_tw(:,of)/tau)**prm%r dot_gamma_twin = prm%gamma_char * dst%f_tw(:,of) * Ndot0*exp(-StressRatio_r) - dgamma_dtau = (dot_gamma_twin*prm%r/tau)*StressRatio_r + ddot_gamma_dtau = (dot_gamma_twin*prm%r/tau)*StressRatio_r else where significantStress dot_gamma_twin = 0.0_pReal - dgamma_dtau = 0.0_pReal + ddot_gamma_dtau = 0.0_pReal end where significantStress end associate - if(present(dgamma_dtau_twin)) dgamma_dtau_twin = dgamma_dtau + if(present(ddot_gamma_dtau_twin)) ddot_gamma_dtau_twin = ddot_gamma_dtau end subroutine kinetics_twin @@ -1251,7 +1251,7 @@ end subroutine kinetics_twin !> @brief calculates shear rates on twin systems !-------------------------------------------------------------------------------------------------- pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,instance,of,& - dot_gamma_tr,dgamma_dtau_trans) + dot_gamma_tr,ddot_gamma_dtau_trans) use prec, only: & tol_math_check, & dNeq0 @@ -1272,13 +1272,13 @@ pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,instance,of,& real(pReal), dimension(param(instance)%sum_N_tr), intent(out) :: & dot_gamma_tr real(pReal), dimension(param(instance)%sum_N_tr), optional, intent(out) :: & - dgamma_dtau_trans + ddot_gamma_dtau_trans real, dimension(param(instance)%sum_N_tr) :: & tau, & Ndot0, & stressRatio_s, & - dgamma_dtau + ddot_gamma_dtau integer :: i,s1,s2 @@ -1299,22 +1299,22 @@ pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,instance,of,& Ndot0=0.0_pReal end if else isFCC - Ndot0=prm%Ndot0_trans(i) + Ndot0=prm%dot_N_0_tr(i) endif isFCC enddo significantStress: where(tau > tol_math_check) StressRatio_s = (dst%tau_hat_tr(:,of)/tau)**prm%s dot_gamma_tr = dst%f_tr(:,of) * Ndot0*exp(-StressRatio_s) - dgamma_dtau = (dot_gamma_tr*prm%r/tau)*StressRatio_s + ddot_gamma_dtau = (dot_gamma_tr*prm%r/tau)*StressRatio_s else where significantStress dot_gamma_tr = 0.0_pReal - dgamma_dtau = 0.0_pReal + ddot_gamma_dtau = 0.0_pReal end where significantStress end associate - if(present(dgamma_dtau_trans)) dgamma_dtau_trans = dgamma_dtau + if(present(ddot_gamma_dtau_trans)) ddot_gamma_dtau_trans = ddot_gamma_dtau end subroutine kinetics_trans From 6966e684037fd0def227c1d8aca51fccf80b219d Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 22 Mar 2019 11:40:52 +0100 Subject: [PATCH 17/21] more renames (following DAMASK paper) --- src/plastic_dislotwin.f90 | 38 +++++++++++++++++++------------------- 1 file changed, 19 insertions(+), 19 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 07ba22e1a..b1ad56b18 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -66,7 +66,7 @@ module plastic_dislotwin aTol_f_tr, & !< absolute tolerance for integration of trans volume fraction gamma_fcc_hex, & !< Free energy difference between austensite and martensite i_tr, & !< - transStackHeight !< Stack height of hex nucleus + h !< Stack height of hex nucleus real(pReal), dimension(:), allocatable :: & rho_mob_0, & !< initial unipolar dislocation density per slip system rho_dip_0, & !< initial dipole dislocation density per slip system @@ -76,11 +76,11 @@ module plastic_dislotwin Delta_F,& !< activation energy for glide [J] for each slip system v0, & !< dislocation velocity prefactor [m/s] for each slip system dot_N_0_tw, & !< twin nucleation rate [1/m³s] for each twin system - dot_N_0_tr, & !< trans nucleation rate [1/m³s] for each trans system - twinsize, & !< twin thickness [m] for each twin system + dot_N_0_tr, & !< trans nucleation rate [1/m³s] for each trans system + t_tw, & !< twin thickness [m] for each twin system CLambdaSlip, & !< Adj. parameter for distance between 2 forest dislocations for each slip system atomicVolume, & - lamellarsize, & !< martensite lamellar thickness [m] for each trans system and instance + t_tr, & !< martensite lamellar thickness [m] for each trans system and instance p, & !< p-exponent in glide velocity q, & !< q-exponent in glide velocity r, & !< r-exponent in twin nucleation rate @@ -337,7 +337,7 @@ subroutine plastic_dislotwin_init config%getString('lattice_structure')) prm%b_tw = config%getFloats('twinburgers', requiredSize=size(prm%N_tw)) - prm%twinsize = config%getFloats('twinsize', requiredSize=size(prm%N_tw)) + prm%t_tw = config%getFloats('twinsize', requiredSize=size(prm%N_tw)) prm%r = config%getFloats('r_twin', requiredSize=size(prm%N_tw)) prm%xc_twin = config%getFloat('xc_twin') @@ -357,11 +357,11 @@ subroutine plastic_dislotwin_init ! expand: family => system prm%b_tw = math_expand(prm%b_tw,prm%N_tw) - prm%twinsize = math_expand(prm%twinsize,prm%N_tw) + prm%t_tw = math_expand(prm%t_tw,prm%N_tw) prm%r = math_expand(prm%r,prm%N_tw) else - allocate(prm%twinsize(0)) + allocate(prm%t_tw(0)) allocate(prm%b_tw(0)) allocate(prm%r(0)) endif @@ -374,11 +374,11 @@ subroutine plastic_dislotwin_init prm%b_tr = config%getFloats('transburgers') prm%b_tr = math_expand(prm%b_tr,prm%N_tr) - prm%transStackHeight = config%getFloat('transstackheight', defaultVal=0.0_pReal) ! ToDo: How to handle that??? + prm%h = config%getFloat('transstackheight', defaultVal=0.0_pReal) ! ToDo: How to handle that??? prm%i_tr = config%getFloat('cmfptrans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? prm%gamma_fcc_hex = config%getFloat('deltag') prm%xc_trans = config%getFloat('xc_trans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? - prm%L_tr = config%getFloat('l0_trans') + prm%L_tr = config%getFloat('l0_trans') prm%h_tr_tr = lattice_interaction_TransByTrans(prm%N_tr,& config%getFloats('interaction_transtrans'), & @@ -400,12 +400,12 @@ subroutine plastic_dislotwin_init prm%dot_N_0_tr = config%getFloats('ndot0_trans') prm%dot_N_0_tr = math_expand(prm%dot_N_0_tr,prm%N_tr) endif - prm%lamellarsize = config%getFloats('lamellarsize') - prm%lamellarsize = math_expand(prm%lamellarsize,prm%N_tr) - prm%s = config%getFloats('s_trans',defaultVal=[0.0_pReal]) - prm%s = math_expand(prm%s,prm%N_tr) + prm%t_tr = config%getFloats('lamellarsize') + prm%t_tr = math_expand(prm%t_tr,prm%N_tr) + prm%s = config%getFloats('s_trans',defaultVal=[0.0_pReal]) + prm%s = math_expand(prm%s,prm%N_tr) else - allocate(prm%lamellarsize(0)) + allocate(prm%t_tr(0)) allocate(prm%b_tr(0)) endif @@ -906,8 +906,8 @@ subroutine plastic_dislotwin_dependentState(T,instance,of) SFE = prm%SFE_0K + prm%dSFE_dT * T !* rescaled volume fraction for topology - fOverStacksize = stt%f_tw(1:prm%sum_N_tw,of)/prm%twinsize !ToDo: this is per system - ftransOverLamellarSize = sumf_trans/prm%lamellarsize !ToDo: But this not ... + fOverStacksize = stt%f_tw(1:prm%sum_N_tw,of)/prm%t_tw !ToDo: this is per system + ftransOverLamellarSize = sumf_trans/prm%t_tr !ToDo: But this not ... !Todo: Physically ok, but naming could be adjusted @@ -965,11 +965,11 @@ subroutine plastic_dislotwin_dependentState(T,instance,of) if(prm%sum_N_tr == prm%sum_N_sl) & dst%tau_hat_tr(:,of) = & (SFE/(3.0_pReal*prm%b_tr) + 3.0_pReal*prm%b_tr*prm%mu/& - (prm%L_tr*prm%b_sl) + prm%transStackHeight*prm%gamma_fcc_hex/ (3.0_pReal*prm%b_tr) ) + (prm%L_tr*prm%b_sl) + prm%h*prm%gamma_fcc_hex/ (3.0_pReal*prm%b_tr) ) - dst%f_tw(:,of) = (PI/4.0_pReal)*prm%twinsize*dst%Lambda_tw(:,of)**2.0_pReal - dst%f_tr(:,of) = (PI/4.0_pReal)*prm%lamellarsize*dst%Lambda_tr(:,of)**2.0_pReal + dst%f_tw(:,of) = (PI/4.0_pReal)*prm%t_tw*dst%Lambda_tw(:,of)**2.0_pReal + dst%f_tr(:,of) = (PI/4.0_pReal)*prm%t_tr*dst%Lambda_tr(:,of)**2.0_pReal x0 = prm%mu*prm%b_tw**2.0_pReal/(SFE*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) ! ToDo: In the paper, this is the burgers vector for slip and is the same for twin and trans From 5050f21a6e5644cbd404a040b28232839f136c45 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 22 Mar 2019 12:28:40 +0100 Subject: [PATCH 18/21] [skip ci] more renames for consistency --- src/plastic_dislotwin.f90 | 16 ++++++++-------- 1 file changed, 8 insertions(+), 8 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index b1ad56b18..036cad578 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -892,8 +892,8 @@ subroutine plastic_dislotwin_dependentState(T,instance,of) real(pReal), dimension(:), allocatable :: & x0, & - fOverStacksize, & - ftransOverLamellarSize + f_over_t_tw, & + f_over_t_tr associate(prm => param(instance),& @@ -906,8 +906,8 @@ subroutine plastic_dislotwin_dependentState(T,instance,of) SFE = prm%SFE_0K + prm%dSFE_dT * T !* rescaled volume fraction for topology - fOverStacksize = stt%f_tw(1:prm%sum_N_tw,of)/prm%t_tw !ToDo: this is per system - ftransOverLamellarSize = sumf_trans/prm%t_tr !ToDo: But this not ... + f_over_t_tw = stt%f_tw(1:prm%sum_N_tw,of)/prm%t_tw !ToDo: this is per system + f_over_t_tr = sumf_trans/prm%t_tr !ToDo: But this not ... !Todo: Physically ok, but naming could be adjusted @@ -919,22 +919,22 @@ subroutine plastic_dislotwin_dependentState(T,instance,of) if (prm%sum_N_tw > 0 .and. prm%sum_N_sl > 0) & inv_lambda_sl_tw = & - matmul(transpose(prm%h_sl_tw),fOverStacksize)/(1.0_pReal-sumf_twin) ! ToDo: Change order/no transpose + matmul(transpose(prm%h_sl_tw),f_over_t_tw)/(1.0_pReal-sumf_twin) ! ToDo: Change order/no transpose !ToDo: needed? if (prm%sum_N_tw > 0) & - inv_lambda_tw_tw = matmul(prm%h_tw_tw,fOverStacksize)/(1.0_pReal-sumf_twin) + inv_lambda_tw_tw = matmul(prm%h_tw_tw,f_over_t_tw)/(1.0_pReal-sumf_twin) if (prm%sum_N_tr > 0 .and. prm%sum_N_sl > 0) & inv_lambda_sl_tr = & ! ToDo: does not work if N_tr is not 12 - matmul(transpose(prm%h_sl_tr),ftransOverLamellarSize)/(1.0_pReal-sumf_trans) ! ToDo: remove transpose + matmul(transpose(prm%h_sl_tr),f_over_t_tr)/(1.0_pReal-sumf_trans) ! ToDo: remove transpose !ToDo: needed? if (prm%sum_N_tr > 0) & - inv_lambda_tr_tr = matmul(prm%h_tr_tr,ftransOverLamellarSize)/(1.0_pReal-sumf_trans) + inv_lambda_tr_tr = matmul(prm%h_tr_tr,f_over_t_tr)/(1.0_pReal-sumf_trans) From b8117d4057e9a470e4bf854f6d10113bc6dbe374 Mon Sep 17 00:00:00 2001 From: Franz Roters Date: Fri, 22 Mar 2019 15:31:29 +0100 Subject: [PATCH 19/21] LpAndItsTangent called kinetics_twip a second time instead of kinetic_trans --- src/plastic_dislotwin.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 036cad578..3d351e3ae 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -751,7 +751,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of) + ddot_gamma_dtau_twin(i)* prm%P_tw(k,l,i)*prm%P_tw(m,n,i) * f_unrotated enddo twinContibution - call kinetics_twin(Mp,T,dot_gamma_sl,instance,of,dot_gamma_tr,ddot_gamma_dtau_trans) + call kinetics_trans(Mp,T,dot_gamma_sl,instance,of,dot_gamma_tr,ddot_gamma_dtau_trans) transContibution: do i = 1, prm%sum_N_tr Lp = Lp + dot_gamma_tr(i)*prm%P_tr(1:3,1:3,i) * f_unrotated forall (k=1:3,l=1:3,m=1:3,n=1:3) & From d9fbbb863dbe348a07e488e9094acea2782dee32 Mon Sep 17 00:00:00 2001 From: Test User Date: Mon, 25 Mar 2019 11:46:03 +0100 Subject: [PATCH 20/21] [skip ci] updated version information after successful test of v2.0.2-2151-gaf611d7c --- VERSION | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/VERSION b/VERSION index 06e6e46fc..661ee3728 100644 --- a/VERSION +++ b/VERSION @@ -1 +1 @@ -v2.0.2-2130-gde92469e +v2.0.2-2151-gaf611d7c From df5cb3baf2b8d93472751243847b551ed7a0cc52 Mon Sep 17 00:00:00 2001 From: Franz Roters Date: Mon, 25 Mar 2019 14:41:28 +0100 Subject: [PATCH 21/21] new release version --- VERSION | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/VERSION b/VERSION index 661ee3728..f256be603 100644 --- a/VERSION +++ b/VERSION @@ -1 +1 @@ -v2.0.2-2151-gaf611d7c +v2.0.3