From 912926e6049b3dcb2155ffe5b9266971b5a18b28 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 31 Aug 2018 15:07:22 +0200 Subject: [PATCH] more improvements --- src/plastic_dislotwin.f90 | 54 ++++++++------------------------------- 1 file changed, 10 insertions(+), 44 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index b8dce21b0..c5173d413 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -1246,7 +1246,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature stressRatio =((abs(tau_slip(j))- state(instance)%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+prm%tau_peierls(j))) StressRatio_p = stressRatio** prm%p(j) - StressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal) + StressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal) ! ToDo: no very helpful BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) !* Initial shear rates DotGamma0 = state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)* prm%v0(j) @@ -1429,21 +1429,8 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) plasticState, & phaseAt, phasememberAt use lattice, only: & - lattice_Sslip, & - lattice_Stwin, & - lattice_Strans, & - lattice_maxNslipFamily, & - lattice_maxNtwinFamily, & - lattice_maxNtransFamily, & - lattice_NslipSystem, & - lattice_NtwinSystem, & - lattice_NtransSystem, & - lattice_sheartwin, & lattice_mu, & lattice_structure, & - lattice_fcc_twinNucleationSlipPair, & - lattice_fccTobcc_transNucleationTwinPair, & - lattice_fccTobcc_shearCritTrans, & LATTICE_fcc_ID implicit none @@ -1459,7 +1446,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) integer(pInt) :: instance,f,i,j,index_myFamily,s1,s2, & ph, & of - real(pReal) :: sumf,sumftr,StressRatio_p,StressRatio_pminus1,BoltzmannRatio,DotGamma0,& + real(pReal) :: sumf,sumftr,StressRatio_p,BoltzmannRatio,DotGamma0,& EdgeDipMinDistance,AtomicVolume,VacancyDiffusion,StressRatio_r,Ndot0_twin,stressRatio,& Ndot0_trans,StressRatio_s,EdgeDipDistance, ClimbVelocity,DotRhoEdgeDipClimb,DotRhoEdgeDipAnnihilation, & DotRhoDipFormation,DotRhoMultiplication,DotRhoEdgeEdgeAnnihilation @@ -1500,7 +1487,6 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) stressRatio =((abs(tau_slip(j))- state(instance)%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+prm%tau_peierls(j))) StressRatio_p = stressRatio** prm%p(j) - StressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal) BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) !* Initial shear rates DotGamma0 = plasticState(ph)%state(j, of)*prm%burgers_slip(j)*prm%v0(j) @@ -1533,15 +1519,12 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) state(instance)%rhoEdge(j,of)*abs(gdot_slip(j)) !* Spontaneous annihilation of a single edge dislocation with a dipole constituent - DotRhoEdgeDipAnnihilation = & - ((2.0_pReal*EdgeDipMinDistance)/prm%burgers_slip(j))*& - state(instance)%rhoEdgeDip(j,of)*abs(gdot_slip(j)) + DotRhoEdgeDipAnnihilation = ((2.0_pReal*EdgeDipMinDistance)/prm%burgers_slip(j)) & + * state(instance)%rhoEdgeDip(j,of)*abs(gdot_slip(j)) !* Dislocation dipole climb - AtomicVolume = & - prm%CAtomicVolume*prm%burgers_slip(j)**(3.0_pReal) - VacancyDiffusion = & - prm%D0*exp(-prm%Qsd/(kB*Temperature)) + AtomicVolume = prm%CAtomicVolume*prm%burgers_slip(j)**(3.0_pReal) ! no need to calculate this over and over again + VacancyDiffusion = prm%D0*exp(-prm%Qsd/(kB*Temperature)) if (dEq0(tau_slip(j))) then DotRhoEdgeDipClimb = 0.0_pReal else @@ -1554,27 +1537,14 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) (EdgeDipDistance-EdgeDipMinDistance) endif endif - !* Edge dislocation density rate of change dotState(instance)%rhoEdge(j,of) = DotRhoMultiplication-DotRhoDipFormation-DotRhoEdgeEdgeAnnihilation - - !* Edge dislocation dipole density rate of change dotState(instance)%rhoEdgeDip(j,of) = DotRhoDipFormation-DotRhoEdgeDipAnnihilation-DotRhoEdgeDipClimb - - !* Dotstate for accumulated shear due to slip dotState(instance)%accshear_slip(j,of) = abs(gdot_slip(j)) enddo slipSystems - !* Twin volume fraction evolution - j = 0_pInt - do f = 1_pInt,size(prm%Ntwin,1) - index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,prm%Ntwin(f) ! process each (active) twin system in family - j = j+1_pInt - - !* Resolved shear stress on twin system + twinSystems: do j = 1_pInt, prm%totalNtwin tau_twin(j) = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) - !* Stress ratios if (tau_twin(j) > tol_math_check) then StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/& tau_twin(j))**prm%r(j) @@ -1596,22 +1566,18 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) dotState(instance)%twinFraction(j,of) = & (1.0_pReal-sumf-sumftr)*& state(instance)%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) - !* Dotstate for accumulated shear due to twin dotState(instance)%accshear_twin(j,of) = dotState(instance)%twinFraction(j,of) * & - lattice_sheartwin(index_myfamily+i,ph) + prm%shear_twin(j) endif - enddo - enddo + enddo twinSystems transSystems: do j = 1_pInt, prm%totalNtrans - tau_trans(j) = math_mul33xx33(S,lattice_Strans(1:3,1:3,index_myFamily+i,ph)) + tau_trans(j) = math_mul33xx33(S,prm%Schmid_trans(1:3,1:3,j)) - !* Stress ratios if (tau_trans(j) > tol_math_check) then StressRatio_s = (state(instance)%threshold_stress_trans(j,of)/& tau_trans(j))**prm%s(f) - !* Shear rates and their derivatives due to transformation if (lattice_structure(ph) == LATTICE_FCC_ID) then s1=prm%fcc_twinNucleationSlipPair(1,j) s2=prm%fcc_twinNucleationSlipPair(2,j)