diff --git a/src/constitutive.f90 b/src/constitutive.f90 index e3c118bad..8294047e7 100644 --- a/src/constitutive.f90 +++ b/src/constitutive.f90 @@ -425,7 +425,7 @@ subroutine constitutive_microstructure(orientations, Fe, Fp, ipc, ip, el) case (PLASTICITY_DISLOUCLA_ID) plasticityType of = phasememberAt(ipc,ip,el) instance = phase_plasticityInstance(material_phase(ipc,ip,el)) - call plastic_disloUCLA_dependentState(temperature(ho)%p(tme),instance,of) + call plastic_disloUCLA_dependentState(instance,of) case (PLASTICITY_NONLOCAL_ID) plasticityType call plastic_nonlocal_microstructure (Fe,Fp,ip,el) end select plasticityType diff --git a/src/plastic_disloUCLA.f90 b/src/plastic_disloUCLA.f90 index 51fabe042..bb06618e4 100644 --- a/src/plastic_disloUCLA.f90 +++ b/src/plastic_disloUCLA.f90 @@ -29,7 +29,7 @@ module plastic_disloUCLA real(pReal), dimension(:,:,:), allocatable, private :: & plastic_disloUCLA_forestProjectionEdge !< matrix of forest projections of edge dislocations for each instance - enum, bind(c) + enum, bind(c) enumerator :: undefined_ID, & rho_ID, & rhoDip_ID, & @@ -59,13 +59,13 @@ module plastic_disloUCLA v0, & !< dislocation velocity prefactor [m/s] for each family and instance CLambda, & !< Adj. parameter for distance between 2 forest dislocations for each slip system and instance p, & !< p-exponent in glide velocity - q, & !< q-exponent in glide velocity - !* mobility law parameters - kink_height, & !< height of the kink pair - kink_width, & !< width of the kink pair - omega, & !< attempt frequency for kink pair nucleation + q, & !< q-exponent in glide velocity + !* mobility law parameters + kink_height, & !< height of the kink pair + kink_width, & !< width of the kink pair + omega, & !< attempt frequency for kink pair nucleation viscosity, & !< friction coeff. B (kMC) - !* + !* tau_Peierls, & nonSchmidCoeff, & atomicVolume, & @@ -88,28 +88,28 @@ module plastic_disloUCLA end type !< container type for internal constitutive parameters type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance) - - type, private :: tDisloUCLAState + + type, private :: tDisloUCLAState real(pReal), pointer, dimension(:,:) :: & rhoEdge, & rhoEdgeDip, & accshear_slip, & whole - end type + end type - type, private :: tDisloUCLAMicrostructure + type, private :: tDisloUCLAdependentState real(pReal), allocatable, dimension(:,:) :: & mfp, & threshold_stress - end type tDisloUCLAMicrostructure + end type tDisloUCLAdependentState type(tDisloUCLAState ), allocatable, dimension(:), private :: & state, & dotState - type(tDisloUCLAMicrostructure), allocatable, dimension(:), private :: & - microstructure - + type(tDisloUCLAdependentState), allocatable, dimension(:), private :: & + dependentState + public :: & plastic_disloUCLA_init, & plastic_disloUCLA_dependentState, & @@ -156,15 +156,15 @@ subroutine plastic_disloUCLA_init() MATERIAL_partPhase, & config_phase use lattice - + implicit none integer(pInt) :: maxNinstance,& - f,instance,j,k,o, i, & - outputSize, phase, & + f,j,k,o, i, & + outputSize, & offset_slip, index_myFamily, index_otherFamily, & - startIndex, endIndex, p - integer(pInt) :: sizeState, sizeDotState - integer(pInt) :: NofMyPhase + startIndex, endIndex, p, & + sizeState, sizeDotState, & + NofMyPhase character(len=65536) :: & structure = '' character(len=65536), dimension(:), allocatable :: outputs @@ -172,16 +172,16 @@ subroutine plastic_disloUCLA_init() 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)::] - + write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_DISLOUCLA_label//' init -+>>>' write(6,'(/,a)') ' Cereceda et al., International Journal of Plasticity 78, 2016, 242-256' write(6,'(/,a)') ' http://dx.doi.org/10.1016/j.ijplas.2015.09.002' write(6,'(a15,a)') ' Current time: ',IO_timeStamp() #include "compilation_info.f90" - + maxNinstance = int(count(phase_plasticity == PLASTICITY_DISLOUCLA_ID),pInt) if (maxNinstance == 0_pInt) return - + if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) & write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance @@ -192,19 +192,19 @@ subroutine plastic_disloUCLA_init() allocate(plastic_disloUCLA_totalNslip(maxNinstance), source=0_pInt) - + allocate(param(maxNinstance)) allocate(state(maxNinstance)) allocate(dotState(maxNinstance)) - allocate(microstructure(maxNinstance)) + allocate(dependentState(maxNinstance)) -do p = 1_pInt, size(phase_plasticityInstance) + do p = 1_pInt, size(phase_plasticityInstance) if (phase_plasticity(p) /= PLASTICITY_DISLOUCLA_ID) cycle associate(prm => param(phase_plasticityInstance(p)), & dot => dotState(phase_plasticityInstance(p)), & stt => state(phase_plasticityInstance(p)), & - mse => microstructure(phase_plasticityInstance(p))) + dst => dependentState(phase_plasticityInstance(p))) structure = config_phase(p)%getString('lattice_structure') prm%mu = lattice_mu(p) @@ -273,9 +273,8 @@ do p = 1_pInt, size(phase_plasticityInstance) prm%clambda = math_expand(prm%clambda, prm%Nslip) prm%atomicVolume = math_expand(prm%atomicVolume, prm%Nslip) prm%minDipDistance = math_expand(prm%minDipDistance, prm%Nslip) - - instance = phase_plasticityInstance(p) - plastic_disloUCLA_totalNslip(instance) = prm%totalNslip + + plastic_disloUCLA_totalNslip(phase_plasticityInstance(p)) = prm%totalNslip !if (plastic_disloUCLA_CAtomicVolume(instance) <= 0.0_pReal) & ! call IO_error(211_pInt,el=instance,ext_msg='cAtomicVolume ('//PLASTICITY_DISLOUCLA_label//')') ! if (prm%D0 <= 0.0_pReal) & @@ -283,61 +282,10 @@ do p = 1_pInt, size(phase_plasticityInstance) ! if (plastic_disloUCLA_Qsd(instance) <= 0.0_pReal) & ! call IO_error(211_pInt,el=instance,ext_msg='Qsd ('//PLASTICITY_DISLOUCLA_label//')') ! if (plastic_disloUCLA_aTolRho(instance) <= 0.0_pReal) & - ! call IO_error(211_pInt,el=instance,ext_msg='aTolRho ('//PLASTICITY_DISLOUCLA_label//')') - - else slipActive - allocate(prm%rho0(0)) - allocate(prm%rhoDip0(0)) - endif slipActive - - -#if defined(__GFORTRAN__) - outputs = ['GfortranBug86277'] - outputs = config_phase(p)%getStrings('(output)',defaultVal=outputs) - if (outputs(1) == 'GfortranBug86277') outputs = emptyStringArray -#else - outputs = config_phase(p)%getStrings('(output)',defaultVal=emptyStringArray) -#endif - allocate(prm%outputID(0)) - - do i = 1_pInt, size(outputs) - outputID = undefined_ID - outputSize = prm%totalNslip - select case(trim(outputs(i))) - case ('edge_density') - outputID = merge(rho_ID,undefined_ID,prm%totalNslip>0_pInt) - case ('dipole_density') - outputID = merge(rhoDip_ID,undefined_ID,prm%totalNslip>0_pInt) - case ('shear_rate','shearrate','shear_rate_slip','shearrate_slip') - outputID = merge(shearrate_ID,undefined_ID,prm%totalNslip>0_pInt) - case ('accumulated_shear','accumulatedshear','accumulated_shear_slip') - outputID = merge(accumulatedshear_ID,undefined_ID,prm%totalNslip>0_pInt) - case ('mfp','mfp_slip') - outputID = merge(mfp_ID,undefined_ID,prm%totalNslip>0_pInt) - case ('resolved_stress','resolved_stress_slip') - outputID = merge(resolvedstress_ID,undefined_ID,prm%totalNslip>0_pInt) - case ('threshold_stress','threshold_stress_slip') - outputID = merge(thresholdstress_ID,undefined_ID,prm%totalNslip>0_pInt) - case ('edge_dipole_distance') - outputID = merge(dipoleDistance_ID,undefined_ID,prm%totalNslip>0_pInt) - case ('stress_exponent') - outputID = merge(stressexponent_ID,undefined_ID,prm%totalNslip>0_pInt) - end select - - if (outputID /= undefined_ID) then - plastic_disloUCLA_output(i,phase_plasticityInstance(p)) = outputs(i) - plastic_disloUCLA_sizePostResult(i,phase_plasticityInstance(p)) = outputSize - prm%outputID = [prm%outputID, outputID] - endif - - enddo - - - - - !if (plastic_disloUCLA_rhoEdge0(f,instance) < 0.0_pReal) & + ! call IO_error(211_pInt,el=instance,ext_msg='aTolRho ('//PLASTICITY_DISLOUCLA_label//')') + !if (plastic_disloUCLA_rhoEdge0(f,instance) < 0.0_pReal) & ! call IO_error(211_pInt,el=instance,ext_msg='rhoEdge0 ('//PLASTICITY_DISLOUCLA_label//')') - !if (plastic_disloUCLA_rhoEdgeDip0(f,instance) < 0.0_pReal) & + !if (plastic_disloUCLA_rhoEdgeDip0(f,instance) < 0.0_pReal) & ! call IO_error(211_pInt,el=instance,ext_msg='rhoEdgeDip0 ('//PLASTICITY_DISLOUCLA_label//')') !if (plastic_disloUCLA_burgersPerSlipFamily(f,instance) <= 0.0_pReal) & ! call IO_error(211_pInt,el=instance,ext_msg='slipBurgers ('//PLASTICITY_DISLOUCLA_label//')') @@ -346,55 +294,101 @@ do p = 1_pInt, size(phase_plasticityInstance) !if (plastic_disloUCLA_tau_peierlsPerSlipFamily(f,instance) < 0.0_pReal) & ! call IO_error(211_pInt,el=instance,ext_msg='tau_peierls ('//PLASTICITY_DISLOUCLA_label//')') - phase = p - NofMyPhase=count(material_phase==phase) - instance = phase_plasticityInstance(phase) + + else slipActive + allocate(prm%rho0(0)) + allocate(prm%rhoDip0(0)) + endif slipActive + + +#if defined(__GFORTRAN__) + outputs = ['GfortranBug86277'] + outputs = config_phase(p)%getStrings('(output)',defaultVal=outputs) + if (outputs(1) == 'GfortranBug86277') outputs = emptyStringArray +#else + outputs = config_phase(p)%getStrings('(output)',defaultVal=emptyStringArray) +#endif + allocate(prm%outputID(0)) + + do i = 1_pInt, size(outputs) + outputID = undefined_ID + outputSize = prm%totalNslip + select case(trim(outputs(i))) + case ('edge_density') + outputID = merge(rho_ID,undefined_ID,prm%totalNslip>0_pInt) + case ('dipole_density') + outputID = merge(rhoDip_ID,undefined_ID,prm%totalNslip>0_pInt) + case ('shear_rate','shearrate','shear_rate_slip','shearrate_slip') + outputID = merge(shearrate_ID,undefined_ID,prm%totalNslip>0_pInt) + case ('accumulated_shear','accumulatedshear','accumulated_shear_slip') + outputID = merge(accumulatedshear_ID,undefined_ID,prm%totalNslip>0_pInt) + case ('mfp','mfp_slip') + outputID = merge(mfp_ID,undefined_ID,prm%totalNslip>0_pInt) + case ('resolved_stress','resolved_stress_slip') + outputID = merge(resolvedstress_ID,undefined_ID,prm%totalNslip>0_pInt) + case ('threshold_stress','threshold_stress_slip') + outputID = merge(thresholdstress_ID,undefined_ID,prm%totalNslip>0_pInt) + case ('edge_dipole_distance') + outputID = merge(dipoleDistance_ID,undefined_ID,prm%totalNslip>0_pInt) + case ('stress_exponent') + outputID = merge(stressexponent_ID,undefined_ID,prm%totalNslip>0_pInt) + end select + + if (outputID /= undefined_ID) then + plastic_disloUCLA_output(i,phase_plasticityInstance(p)) = outputs(i) + plastic_disloUCLA_sizePostResult(i,phase_plasticityInstance(p)) = outputSize + prm%outputID = [prm%outputID, outputID] + endif + + enddo + + NofMyPhase=count(material_phase==p) !-------------------------------------------------------------------------------------------------- ! allocate state arrays - sizeDotState = int(size(['rhoEdge ','rhoEdgeDip ','accshearslip']),pInt) * prm%totalNslip - sizeState = sizeDotState + sizeDotState = int(size(['rhoEdge ','rhoEdgeDip ','accshearslip']),pInt) * prm%totalNslip + sizeState = sizeDotState - call material_allocatePlasticState(phase,NofMyPhase,sizeState,sizeDotState,0_pInt, & + call material_allocatePlasticState(p,NofMyPhase,sizeState,sizeDotState,0_pInt, & prm%totalNslip,0_pInt,0_pInt) - plasticState(phase)%sizePostResults = sum(plastic_disloUCLA_sizePostResult(:,phase_plasticityInstance(p))) + plasticState(p)%sizePostResults = sum(plastic_disloUCLA_sizePostResult(:,phase_plasticityInstance(p))) - offset_slip = 2_pInt*plasticState(phase)%nSlip - plasticState(phase)%slipRate => & - plasticState(phase)%dotState(offset_slip+1:offset_slip+plasticState(phase)%nSlip,1:NofMyPhase) - plasticState(phase)%accumulatedSlip => & - plasticState(phase)%state (offset_slip+1:offset_slip+plasticState(phase)%nSlip,1:NofMyPhase) - - startIndex=1_pInt - endIndex=prm%totalNslip - stt%rhoEdge=>plasticState(phase)%state(startIndex:endIndex,:) - stt%rhoEdge= spread(prm%rho0,2,NofMyPhase) - dotState(instance)%rhoEdge=>plasticState(phase)%dotState(startIndex:endIndex,:) - plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho + offset_slip = 2_pInt*plasticState(p)%nSlip + plasticState(p)%slipRate => & + plasticState(p)%dotState(offset_slip+1:offset_slip+plasticState(p)%nSlip,1:NofMyPhase) + plasticState(p)%accumulatedSlip => & + plasticState(p)%state (offset_slip+1:offset_slip+plasticState(p)%nSlip,1:NofMyPhase) - startIndex=endIndex+1_pInt - endIndex=endIndex+prm%totalNslip - stt%rhoEdgeDip=>plasticState(phase)%state(startIndex:endIndex,:) - stt%rhoEdgeDip= spread(prm%rhoDip0,2,NofMyPhase) - dotState(instance)%rhoEdgeDip=>plasticState(phase)%dotState(startIndex:endIndex,:) - plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho + startIndex=1_pInt + endIndex=prm%totalNslip + stt%rhoEdge=>plasticState(p)%state(startIndex:endIndex,:) + stt%rhoEdge= spread(prm%rho0,2,NofMyPhase) + dot%rhoEdge=>plasticState(p)%dotState(startIndex:endIndex,:) + plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho - startIndex=endIndex+1_pInt - endIndex=endIndex+prm%totalNslip - stt%accshear_slip=>plasticState(phase)%state(startIndex:endIndex,:) - dotState(instance)%accshear_slip=>plasticState(phase)%dotState(startIndex:endIndex,:) - plasticState(p)%aTolState(startIndex:endIndex) = 1e6_pReal + startIndex=endIndex+1_pInt + endIndex=endIndex+prm%totalNslip + stt%rhoEdgeDip=>plasticState(p)%state(startIndex:endIndex,:) + stt%rhoEdgeDip= spread(prm%rhoDip0,2,NofMyPhase) + dot%rhoEdgeDip=>plasticState(p)%dotState(startIndex:endIndex,:) + plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho - dotState(instance)%whole => plasticState(phase)%dotState + startIndex=endIndex+1_pInt + endIndex=endIndex+prm%totalNslip + stt%accshear_slip=>plasticState(p)%state(startIndex:endIndex,:) + dot%accshear_slip=>plasticState(p)%dotState(startIndex:endIndex,:) + plasticState(p)%aTolState(startIndex:endIndex) = 1e6_pReal + + dot%whole => plasticState(p)%dotState - allocate(mse%mfp(prm%totalNslip,NofMyPhase),source=0.0_pReal) - allocate(mse%threshold_stress(prm%totalNslip,NofMyPhase),source=0.0_pReal) + allocate(dst%mfp(prm%totalNslip,NofMyPhase),source=0.0_pReal) + allocate(dst%threshold_stress(prm%totalNslip,NofMyPhase),source=0.0_pReal) - plasticState(p)%state0 = plasticState(p)%state ! ToDo: this could be done centrally + plasticState(p)%state0 = plasticState(p)%state ! ToDo: this could be done centrally end associate enddo @@ -404,63 +398,60 @@ do p = 1_pInt, size(phase_plasticityInstance) maxval(plastic_disloUCLA_totalNslip),maxNinstance), & source=0.0_pReal) -do p = 1_pInt, size(phase_plasticityInstance) + do p = 1_pInt, size(phase_plasticityInstance) if (phase_plasticity(p) /= PLASTICITY_DISLOUCLA_ID) cycle associate(prm => param(phase_plasticityInstance(p)), & dot => dotState(phase_plasticityInstance(p)), & stt => state(phase_plasticityInstance(p)), & - mse => microstructure(phase_plasticityInstance(p))) + dst => dependentState(phase_plasticityInstance(p))) mySlipFamilies: do f = 1_pInt,size(prm%Nslip,1) index_myFamily = sum(prm%Nslip(1:f-1_pInt)) ! index in truncated slip system list mySlipSystems: do j = 1_pInt,prm%Nslip(f) - + !* Calculation of forest projections for edge dislocations otherSlipFamilies: do o = 1_pInt,size(prm%Nslip,1) index_otherFamily = sum(prm%Nslip(1:o-1_pInt)) otherSlipSystems: do k = 1_pInt,prm%Nslip(o) - plastic_disloUCLA_forestProjectionEdge(index_myFamily+j,index_otherFamily+k,instance) = & + plastic_disloUCLA_forestProjectionEdge(index_myFamily+j,index_otherFamily+k,phase_plasticityInstance(p)) = & abs(math_mul3x3(lattice_sn(:,sum(lattice_NslipSystem(1:f-1,p))+j,p), & lattice_st(:,sum(lattice_NslipSystem(1:o-1,p))+k,p))) enddo otherSlipSystems; enddo otherSlipFamilies - + enddo mySlipSystems enddo mySlipFamilies end associate enddo - + end subroutine plastic_disloUCLA_init !-------------------------------------------------------------------------------------------------- !> @brief calculates derived quantities from state !-------------------------------------------------------------------------------------------------- -subroutine plastic_disloUCLA_dependentState(temperature,instance,of) +subroutine plastic_disloUCLA_dependentState(instance,of) implicit none integer(pInt), intent(in) :: instance, of - real(pReal), intent(in) :: & - temperature !< temperature at IP integer(pInt) :: & - s + i real(pReal), dimension(param(instance)%totalNslip) :: & invLambdaSlip ! 1/mean free distance between 2 forest dislocations seen by a moving dislocation - associate(prm => param(instance), stt => state(instance),mse => microstructure(instance)) - - forall (s = 1_pInt:prm%totalNslip) & - invLambdaSlip(s) = sqrt(dot_product(stt%rhoEdge(:,of)+stt%rhoEdgeDip(:,of), & - plastic_disloUCLA_forestProjectionEdge(:,s,instance))) & - / prm%Clambda(s) - - mse%mfp(:,of) = prm%grainSize/(1.0_pReal+prm%grainSize*invLambdaSlip) + associate(prm => param(instance), stt => state(instance),dst => dependentState(instance)) - forall (s = 1_pInt:prm%totalNslip) & - mse%threshold_stress(s,of) = prm%mu*prm%burgers(s) & + forall (i = 1_pInt:prm%totalNslip) + invLambdaSlip(i) = sqrt(dot_product(stt%rhoEdge(:,of)+stt%rhoEdgeDip(:,of), & + plastic_disloUCLA_forestProjectionEdge(:,i,instance))) & + / prm%Clambda(i) + dst%threshold_stress(i,of) = prm%mu*prm%burgers(i) & * sqrt(dot_product(stt%rhoEdge(:,of)+stt%rhoEdgeDip(:,of), & - prm%interaction_SlipSlip(s,:))) + prm%interaction_SlipSlip(i,:))) + end forall + + dst%mfp(:,of) = prm%grainSize/(1.0_pReal+prm%grainSize*invLambdaSlip) end associate @@ -471,7 +462,7 @@ end subroutine plastic_disloUCLA_dependentState !> @brief calculates plastic velocity gradient and its tangent !-------------------------------------------------------------------------------------------------- subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,instance,of) - + implicit none integer(pInt), intent(in) :: instance, of real(pReal), intent(in) :: Temperature @@ -483,13 +474,13 @@ subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,instance, real(pReal), dimension(param(instance)%totalNslip) :: & gdot_slip_pos,gdot_slip_neg,tau_slip_pos,tau_slip_neg,dgdot_dtauslip_pos,dgdot_dtauslip_neg - + associate(prm => param(instance)) - + Lp = 0.0_pReal dLp_dMp = 0.0_pReal - - call kinetics(Mp,Temperature,instance,of, & + + call kinetics(Mp,Temperature,instance,of, & gdot_slip_pos,dgdot_dtauslip_pos,tau_slip_pos,gdot_slip_neg,dgdot_dtauslip_neg,tau_slip_neg) slipSystems: do i = 1_pInt, prm%totalNslip Lp = Lp + (gdot_slip_pos(i)+gdot_slip_neg(i))*prm%Schmid_slip(1:3,1:3,i) @@ -534,24 +525,24 @@ subroutine plastic_disloUCLA_dotState(Mp,Temperature,instance,of) dgdot_dtauslip_neg,dgdot_dtauslip_pos,DotRhoDipFormation, ClimbVelocity, EdgeDipDistance, & DotRhoEdgeDipClimb - associate(prm => param(instance), stt => state(instance),dot => dotState(instance), mse => microstructure(instance)) + associate(prm => param(instance), stt => state(instance),dot => dotState(instance), dst => dependentState(instance)) - call kinetics(Mp,Temperature,instance,of, & + call kinetics(Mp,Temperature,instance,of, & gdot_slip_pos,dgdot_dtauslip_pos,tau_slip_pos,gdot_slip_neg,dgdot_dtauslip_neg,tau_slip_neg) - + dot%whole(:,of) = 0.0_pReal dot%accshear_slip(:,of) = (gdot_slip_pos+gdot_slip_neg)*0.5_pReal VacancyDiffusion = prm%D0*exp(-prm%Qsd/(kB*Temperature)) where(dEq0(tau_slip_pos)) - EdgeDipDistance = mse%mfp(:,of) !ToDo MD@FR: correct? was not handled properly before + EdgeDipDistance = dst%mfp(:,of) !ToDo MD@FR: correct? was not handled properly before DotRhoDipFormation = 0.0_pReal DotRhoEdgeDipClimb = 0.0_pReal else where EdgeDipDistance = math_clip((3.0_pReal*prm%mu*prm%burgers)/(16.0_pReal*PI*abs(tau_slip_pos)), & prm%minDipDistance, & ! lower limit - mse%mfp(:,of)) ! upper limit + dst%mfp(:,of)) ! upper limit DotRhoDipFormation = merge(((2.0_pReal*EdgeDipDistance)/prm%burgers)* stt%rhoEdge(:,of)*abs(dot%accshear_slip(:,of)), & 0.0_pReal, & prm%dipoleformation) @@ -560,7 +551,7 @@ subroutine plastic_disloUCLA_dotState(Mp,Temperature,instance,of) DotRhoEdgeDipClimb = (4.0_pReal*ClimbVelocity*stt%rhoEdgeDip(:,of))/(EdgeDipDistance-prm%minDipDistance) end where - dot%rhoEdge(:,of) = abs(dot%accshear_slip(:,of))/(prm%burgers*mse%mfp(:,of)) & ! multiplication + dot%rhoEdge(:,of) = abs(dot%accshear_slip(:,of))/(prm%burgers*dst%mfp(:,of)) & ! multiplication - DotRhoDipFormation & - ((2.0_pReal*prm%minDipDistance)/prm%burgers)*stt%rhoEdge(:,of)*abs(dot%accshear_slip(:,of)) !* Spontaneous annihilation of 2 single edge dislocations @@ -569,10 +560,10 @@ subroutine plastic_disloUCLA_dotState(Mp,Temperature,instance,of) - DotRhoEdgeDipClimb end associate - + end subroutine plastic_disloUCLA_dotState - + !-------------------------------------------------------------------------------------------------- !> @brief return array of constitutive results !-------------------------------------------------------------------------------------------------- @@ -601,7 +592,7 @@ function plastic_disloUCLA_postResults(Mp,Temperature,instance,of) result(postRe gdot_slip_pos,dgdot_dtauslip_pos,tau_slip_pos, & gdot_slip_neg,dgdot_dtauslip_neg,tau_slip_neg - associate( prm => param(instance), stt => state(instance), mse => microstructure(instance)) + associate( prm => param(instance), stt => state(instance), dst => dependentState(instance)) postResults = 0.0_pReal c = 0_pInt @@ -614,7 +605,7 @@ function plastic_disloUCLA_postResults(Mp,Temperature,instance,of) result(postRe case (rhoDip_ID) postResults(c+1_pInt:c+prm%totalNslip) = stt%rhoEdgeDip(1_pInt:prm%totalNslip,of) case (shearrate_ID,stressexponent_ID) - call kinetics(Mp,Temperature,instance,of, & + call kinetics(Mp,Temperature,instance,of, & gdot_slip_pos,dgdot_dtauslip_pos,tau_slip_pos,gdot_slip_neg,dgdot_dtauslip_neg,tau_slip_neg) if (prm%outputID(o) == shearrate_ID) then @@ -631,13 +622,13 @@ function plastic_disloUCLA_postResults(Mp,Temperature,instance,of) result(postRe case (accumulatedshear_ID) postResults(c+1_pInt:c+prm%totalNslip) = stt%accshear_slip(1_pInt:prm%totalNslip, of) case (mfp_ID) - postResults(c+1_pInt:c+prm%totalNslip) = mse%mfp(1_pInt:prm%totalNslip, of) + postResults(c+1_pInt:c+prm%totalNslip) = dst%mfp(1_pInt:prm%totalNslip, of) case (resolvedstress_ID) do i = 1_pInt, prm%totalNslip postResults(c+i) =math_mul33xx33(Mp,prm%nonSchmid_pos(1:3,1:3,i)) enddo case (thresholdstress_ID) - postResults(c+1_pInt:c+prm%totalNslip) = mse%threshold_stress(1_pInt:prm%totalNslip,of) + postResults(c+1_pInt:c+prm%totalNslip) = dst%threshold_stress(1_pInt:prm%totalNslip,of) case (dipoleDistance_ID) do i = 1_pInt, prm%totalNslip if (dNeq0(abs(math_mul33xx33(Mp,prm%nonSchmid_pos(1:3,1:3,i))))) then @@ -646,7 +637,7 @@ function plastic_disloUCLA_postResults(Mp,Temperature,instance,of) result(postRe else postResults(c+i) = huge(1.0_pReal) endif - postResults(c+i)=min(postResults(c+i),mse%mfp(i,of)) + postResults(c+i)=min(postResults(c+i),dst%mfp(i,of)) enddo end select @@ -684,50 +675,45 @@ instance,of dvel_slip, vel_slip real(pReal), intent(out), dimension(plastic_disloUCLA_totalNslip(instance)) :: & gdot_slip_pos,dgdot_dtauslip_pos,tau_slip_pos,gdot_slip_neg,dgdot_dtauslip_neg,tau_slip_neg - associate(prm => param(instance), stt => state(instance),mse => microstructure(instance)) - - gdot_slip_pos = 0.0_pReal gdot_slip_neg = 0.0_pReal dgdot_dtauslip_pos = 0.0_pReal dgdot_dtauslip_neg = 0.0_pReal + + associate(prm => param(instance), stt => state(instance),dst => dependentState(instance)) + + do j = 1_pInt, prm%totalNslip - !* Boltzmann ratio + BoltzmannRatio = prm%H0kp(j)/(kB*Temperature) - !* Initial shear rates DotGamma0 = stt%rhoEdge(j,of)*prm%burgers(j)*prm%v0(j) - !* Resolved shear stress on slip system + tau_slip_pos(j) = math_mul33xx33(Mp,prm%nonSchmid_pos(1:3,1:3,j)) tau_slip_neg(j) = math_mul33xx33(Mp,prm%nonSchmid_neg(1:3,1:3,j)) - significantPositiveTau: if((abs(tau_slip_pos(j))-mse%threshold_stress(j, of)) > tol_math_check) then - !* Stress ratio - stressRatio = ((abs(tau_slip_pos(j))-mse%threshold_stress(j, of))/& - (prm%solidSolutionStrength+& - prm%tau_Peierls(j))) + significantPositiveTau: if((abs(tau_slip_pos(j))-dst%threshold_stress(j, of)) > tol_math_check) then + + stressRatio = ((abs(tau_slip_pos(j))-dst%threshold_stress(j, of)) & + / (prm%solidSolutionStrength+prm%tau_Peierls(j))) stressRatio_p = stressRatio** prm%p(j) stressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal) - !* Shear rates due to slip - vel_slip = 2.0_pReal*prm%burgers(j) & - * prm%kink_height(j) * prm%omega(j) & - * ( mse%mfp(j,of) - prm%kink_width(j) ) & + + vel_slip = 2.0_pReal*prm%burgers(j) * prm%kink_height(j) * prm%omega(j) & + * ( dst%mfp(j,of) - prm%kink_width(j) ) & * (tau_slip_pos(j) & * exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)) ) & / ( & 2.0_pReal*(prm%burgers(j)**2.0_pReal)*tau_slip_pos(j) & + prm%omega(j) * prm%B(j) & - *(( mse%mfp(j,of) - prm%kink_width(j) )**2.0_pReal) & + *(( dst%mfp(j,of) - prm%kink_width(j) )**2.0_pReal) & * exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)) & ) - - gdot_slip_pos(j) = DotGamma0 * sign(vel_slip,tau_slip_pos(j)) - !* Derivatives of shear rates - dvel_slip = & - 2.0_pReal*prm%burgers(j) & - * prm%kink_height(j) * prm%omega(j) & - * ( mse%mfp(j,of) - prm%kink_width(j) ) & + gdot_slip_pos(j) = DotGamma0 * sign(vel_slip,tau_slip_pos(j)) + + dvel_slip = 2.0_pReal*prm%burgers(j) * prm%kink_height(j) * prm%omega(j) & + * ( dst%mfp(j,of) - prm%kink_width(j) ) & * ( & (exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)) & + tau_slip_pos(j) & @@ -739,14 +725,14 @@ instance,of ) & * (2.0_pReal*(prm%burgers(j)**2.0_pReal)*tau_slip_pos(j) & + prm%omega(j) * prm%B(j) & - *(( mse%mfp(j,of) - prm%kink_width(j) )**2.0_pReal) & + *(( dst%mfp(j,of) - prm%kink_width(j) )**2.0_pReal) & * exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)) & ) & - (tau_slip_pos(j) & * exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)) ) & * (2.0_pReal*(prm%burgers(j)**2.0_pReal) & + prm%omega(j) * prm%B(j) & - *(( mse%mfp(j,of) - prm%kink_width(j) )**2.0_pReal) & + *(( dst%mfp(j,of) - prm%kink_width(j) )**2.0_pReal) & * (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)))& *BoltzmannRatio*prm%p(j)& *prm%q(j)/& @@ -758,7 +744,7 @@ instance,of ( & 2.0_pReal*(prm%burgers(j)**2.0_pReal)*tau_slip_pos(j) & + prm%omega(j) * prm%B(j) & - *(( mse%mfp(j,of) - prm%kink_width(j) )**2.0_pReal) & + *(( dst%mfp(j,of) - prm%kink_width(j) )**2.0_pReal) & * exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)) & )**2.0_pReal & ) @@ -768,63 +754,59 @@ instance,of endif significantPositiveTau - significantNegativeTau: if((abs(tau_slip_neg(j))-mse%threshold_stress(j, of)) > tol_math_check) then - !* Stress ratios - stressRatio = ((abs(tau_slip_neg(j))-mse%threshold_stress(j, of))/& - (prm%solidSolutionStrength+& - prm%tau_Peierls(j))) + significantNegativeTau: if((abs(tau_slip_neg(j))-dst%threshold_stress(j, of)) > tol_math_check) then + + stressRatio = ((abs(tau_slip_neg(j))-dst%threshold_stress(j, of)) & + / (prm%solidSolutionStrength+prm%tau_Peierls(j))) stressRatio_p = stressRatio** prm%p(j) stressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal) - !* Shear rates due to slip - vel_slip = 2.0_pReal*prm%burgers(j) & - * prm%kink_height(j) * prm%omega(j) & - * ( mse%mfp(j,of) - prm%kink_width(j) ) & + + vel_slip = 2.0_pReal*prm%burgers(j) * prm%kink_height(j) * prm%omega(j) & + * ( dst%mfp(j,of) - prm%kink_width(j) ) & * (tau_slip_neg(j) & * exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)) ) & / ( & 2.0_pReal*(prm%burgers(j)**2.0_pReal)*tau_slip_neg(j) & + prm%omega(j) * prm%B(j) & - *(( mse%mfp(j,of) - prm%kink_width(j) )**2.0_pReal) & + *(( dst%mfp(j,of) - prm%kink_width(j) )**2.0_pReal) & * exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)) & ) - + gdot_slip_neg(j) = DotGamma0 * sign(vel_slip,tau_slip_neg(j)) - !* Derivatives of shear rates - dvel_slip = & - 2.0_pReal*prm%burgers(j) & - * prm%kink_height(j) * prm%omega(j) & - * ( mse%mfp(j,of) - prm%kink_width(j) ) & + + dvel_slip = 2.0_pReal*prm%burgers(j) * prm%kink_height(j) * prm%omega(j) & + * ( dst%mfp(j,of) - prm%kink_width(j) ) & * ( & (exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)) & + tau_slip_neg(j) & - * (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)))& + * (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)))& *BoltzmannRatio*prm%p(j)& *prm%q(j)/& (prm%solidSolutionStrength+prm%tau_Peierls(j))*& - StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal) ) & + StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal) ) & ) & * (2.0_pReal*(prm%burgers(j)**2.0_pReal)*tau_slip_neg(j) & + prm%omega(j) * prm%B(j) & - *(( mse%mfp(j,of) - prm%kink_width(j) )**2.0_pReal) & + *(( dst%mfp(j,of) - prm%kink_width(j) )**2.0_pReal) & * exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)) & ) & - (tau_slip_neg(j) & * exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)) ) & * (2.0_pReal*(prm%burgers(j)**2.0_pReal) & + prm%omega(j) * prm%B(j) & - *(( mse%mfp(j,of) - prm%kink_width(j) )**2.0_pReal) & - * (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)))& + *(( dst%mfp(j,of) - prm%kink_width(j) )**2.0_pReal) & + * (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)))& *BoltzmannRatio*prm%p(j)& *prm%q(j)/& (prm%solidSolutionStrength+prm%tau_Peierls(j))*& - StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal) )& + StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal) )& ) & ) & / ( & ( & 2.0_pReal*(prm%burgers(j)**2.0_pReal)*tau_slip_neg(j) & + prm%omega(j) * prm%B(j) & - *(( mse%mfp(j,of) - prm%kink_width(j) )**2.0_pReal) & + *(( dst%mfp(j,of) - prm%kink_width(j) )**2.0_pReal) & * exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)) & )**2.0_pReal & )