From 60e6e90874f720b56f307647ff861d28fb063188 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Wed, 26 Jan 2022 22:21:34 +0100 Subject: [PATCH] avoid global states --- src/phase_mechanical_plastic_dislotwin.f90 | 53 ++++++++-------------- 1 file changed, 18 insertions(+), 35 deletions(-) diff --git a/src/phase_mechanical_plastic_dislotwin.f90 b/src/phase_mechanical_plastic_dislotwin.f90 index f200f6091..485b5522a 100644 --- a/src/phase_mechanical_plastic_dislotwin.f90 +++ b/src/phase_mechanical_plastic_dislotwin.f90 @@ -99,9 +99,7 @@ submodule(phase:plastic) dislotwin 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 for slip - tau_hat_tw, & !< threshold stress for twinning - tau_hat_tr !< threshold stress for transformation + tau_pass !< threshold stress for slip end type tDislotwinDependentState !-------------------------------------------------------------------------------------------------- @@ -429,14 +427,10 @@ module function plastic_dislotwin_init() result(myPlasticity) plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_f_tr',defaultVal=1.0e-6_pReal) if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_f_tr' - allocate(dst%Lambda_sl (prm%sum_N_sl,Nmembers),source=0.0_pReal) allocate(dst%tau_pass (prm%sum_N_sl,Nmembers),source=0.0_pReal) - + allocate(dst%Lambda_sl (prm%sum_N_sl,Nmembers),source=0.0_pReal) allocate(dst%Lambda_tw (prm%sum_N_tw,Nmembers),source=0.0_pReal) - allocate(dst%tau_hat_tw (prm%sum_N_tw,Nmembers),source=0.0_pReal) - allocate(dst%Lambda_tr (prm%sum_N_tr,Nmembers),source=0.0_pReal) - allocate(dst%tau_hat_tr (prm%sum_N_tr,Nmembers),source=0.0_pReal) end associate @@ -723,7 +717,6 @@ module subroutine dislotwin_dependentState(T,ph,en) T real(pReal) :: & - Gamma_sf, Delta_G, & sumf_tw, sumf_tr real(pReal), dimension(param(ph)%sum_N_sl) :: & inv_lambda_sl @@ -740,18 +733,9 @@ module subroutine dislotwin_dependentState(T,ph,en) associate(prm => param(ph), stt => state(ph), dst => dependentState(ph)) mu = elastic_mu(ph,en) - nu = elastic_nu(ph,en) - sumf_tw = sum(stt%f_tw(1:prm%sum_N_tw,en)) sumf_tr = sum(stt%f_tr(1:prm%sum_N_tr,en)) - Gamma_sf = prm%Gamma_sf(1) & - + prm%Gamma_sf(2) * (T-prm%T_ref) & - + prm%Gamma_sf(3) * (T-prm%T_ref)**2 - Delta_G = prm%Delta_G(1) & - + prm%Delta_G(2) * (T-prm%T_ref) & - + prm%Delta_G(3) * (T-prm%T_ref)**2 - !* rescaled volume fraction for topology f_over_t_tw = stt%f_tw(1:prm%sum_N_tw,en)/prm%t_tw ! this is per system ... f_over_t_tr = sumf_tr/prm%t_tr ! but this not @@ -773,13 +757,6 @@ module subroutine dislotwin_dependentState(T,ph,en) !* threshold stress for dislocation motion dst%tau_pass(:,en) = mu*prm%b_sl* sqrt(matmul(prm%h_sl_sl,stt%rho_mob(:,en)+stt%rho_dip(:,en))) - !* threshold stress for growing twin/martensite - dst%tau_hat_tw(:,en) = Gamma_sf/(3.0_pReal*prm%b_tw) & - + 3.0_pReal*prm%b_tw*mu/(prm%L_tw*prm%b_tw) - dst%tau_hat_tr(:,en) = Gamma_sf/(3.0_pReal*prm%b_tr) & - + 3.0_pReal*prm%b_tr*mu/(prm%L_tr*prm%b_tr) & - + prm%h*Delta_G/(3.0_pReal*prm%b_tr) - end associate end subroutine dislotwin_dependentState @@ -824,9 +801,6 @@ module subroutine plastic_dislotwin_results(ph,group) case('Lambda_tw') call results_writeDataset(dst%Lambda_tw,group,trim(prm%output(ou)), & 'mean free path for twinning','m',prm%systems_tw) - case('tau_hat_tw') - call results_writeDataset(dst%tau_hat_tw,group,trim(prm%output(ou)), & - 'threshold stress for twinning','Pa',prm%systems_tw) case('f_tr') if (prm%sum_N_tr>0) call results_writeDataset(stt%f_tr,group,trim(prm%output(ou)), & @@ -944,7 +918,7 @@ pure subroutine kinetics_tw(Mp,T,dot_gamma_sl,ph,en,& ddot_gamma_dtau_tw real :: & - tau, tau_r, & + tau, tau_r, tau_hat, & dot_N_0, & x0, V, & Gamma_sf, & @@ -959,11 +933,14 @@ pure subroutine kinetics_tw(Mp,T,dot_gamma_sl,ph,en,& associate(prm => param(ph), stt => state(ph), dst => dependentState(ph)) isFCC: if (prm%fccTwinTransNucleation) then + mu = elastic_mu(ph,en) nu = elastic_nu(ph,en) Gamma_sf = prm%Gamma_sf(1) & + prm%Gamma_sf(2) * (T-prm%T_ref) & + prm%Gamma_sf(3) * (T-prm%T_ref)**2 + tau_hat = 3.0_pReal*prm%b_tw(1)*mu/prm%L_tw & + + Gamma_sf/(3.0_pReal*prm%b_tw(1)) do i = 1, prm%sum_N_tw tau = math_tensordot(Mp,prm%P_tw(1:3,1:3,i)) @@ -971,8 +948,8 @@ pure subroutine kinetics_tw(Mp,T,dot_gamma_sl,ph,en,& tau_r = mu*prm%b_tw(i)/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%x_c_tw)+cos(PI/3.0_pReal)/x0) ! ToDo: In the paper, the Burgers vector for slip is used if (tau > tol_math_check .and. tau < tau_r) then - P = exp(-(dst%tau_hat_tw(i,en)/tau)**prm%r(i)) - dP_dTau = prm%r(i) * (dst%tau_hat_tw(i,en)/tau)**prm%r(i)/tau * P + P = exp(-(tau_hat/tau)**prm%r(i)) + dP_dTau = prm%r(i) * (tau_hat/tau)**prm%r(i)/tau * P s = prm%fcc_twinNucleationSlipPair(1:2,i) dot_N_0 = sum(abs(dot_gamma_sl(s(2:1:-1)))*(stt%rho_mob(s,en)+stt%rho_dip(s,en))) & @@ -1036,10 +1013,10 @@ pure subroutine kinetics_tr(Mp,T,dot_gamma_sl,ph,en,& ddot_gamma_dtau_tr real :: & - tau, tau_r, & + tau, tau_r, tau_hat, & dot_N_0, & x0, V, & - Gamma_sf, & + Gamma_sf, Delta_G, & mu, nu, & P_ncs, dP_ncs_dtau, & P, dP_dtau @@ -1055,6 +1032,12 @@ pure subroutine kinetics_tr(Mp,T,dot_gamma_sl,ph,en,& Gamma_sf = prm%Gamma_sf(1) & + prm%Gamma_sf(2) * (T-prm%T_ref) & + prm%Gamma_sf(3) * (T-prm%T_ref)**2 + Delta_G = prm%Delta_G(1) & + + prm%Delta_G(2) * (T-prm%T_ref) & + + prm%Delta_G(3) * (T-prm%T_ref)**2 + tau_hat = 3.0_pReal*prm%b_tr(1)*mu/prm%L_tr & + + Gamma_sf/(3.0_pReal*prm%b_tr(1)) & + + prm%h*Delta_G/(3.0_pReal*prm%b_tr(1)) do i = 1, prm%sum_N_tr tau = math_tensordot(Mp,prm%P_tr(1:3,1:3,i)) @@ -1062,8 +1045,8 @@ pure subroutine kinetics_tr(Mp,T,dot_gamma_sl,ph,en,& tau_r = mu*prm%b_tr(i)/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%x_c_tr)+cos(PI/3.0_pReal)/x0) ! ToDo: In the paper, the Burgers vector for slip is used if (tau > tol_math_check .and. tau < tau_r) then - P = exp(-(dst%tau_hat_tr(i,en)/tau)**prm%s(i)) - dP_dTau = prm%s(i) * (dst%tau_hat_tr(i,en)/tau)**prm%s(i)/tau * P + P = exp(-(tau_hat/tau)**prm%s(i)) + dP_dTau = prm%s(i) * (tau_hat/tau)**prm%s(i)/tau * P s = prm%fcc_twinNucleationSlipPair(1:2,i) dot_N_0 = sum(abs(dot_gamma_sl(s(2:1:-1)))*(stt%rho_mob(s,en)+stt%rho_dip(s,en))) &