From 95fff5d6f705fe7e264558939841d3bab46019d9 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Wed, 26 Jan 2022 23:01:47 +0100 Subject: [PATCH] limit to TWINNING to fcc --- src/phase_mechanical_plastic_dislotwin.f90 | 94 +++++++++------------- 1 file changed, 36 insertions(+), 58 deletions(-) diff --git a/src/phase_mechanical_plastic_dislotwin.f90 b/src/phase_mechanical_plastic_dislotwin.f90 index 36d2899b9..38ed6aec9 100644 --- a/src/phase_mechanical_plastic_dislotwin.f90 +++ b/src/phase_mechanical_plastic_dislotwin.f90 @@ -247,7 +247,7 @@ module function plastic_dislotwin_init() result(myPlasticity) !-------------------------------------------------------------------------------------------------- ! twin related parameters - prm%N_tw = pl%get_as1dInt('N_tw', defaultVal=emptyIntArray) + prm%N_tw = pl%get_as1dInt('N_tw', defaultVal=emptyIntArray) prm%sum_N_tw = sum(abs(prm%N_tw)) twinActive: if (prm%sum_N_tw > 0) then prm%systems_tw = lattice_labels_twin(prm%N_tw,phase_lattice(ph)) @@ -264,40 +264,33 @@ module function plastic_dislotwin_init() result(myPlasticity) prm%gamma_char= lattice_characteristicShear_Twin(prm%N_tw,phase_lattice(ph),phase_cOverA(ph)) - if (.not. prm%fccTwinTransNucleation) then - prm%dot_N_0_tw = pl%get_as1dFloat('dot_N_0_tw') - prm%dot_N_0_tw = math_expand(prm%dot_N_0_tw,prm%N_tw) - endif - ! expand: family => system prm%b_tw = math_expand(prm%b_tw,prm%N_tw) prm%t_tw = math_expand(prm%t_tw,prm%N_tw) prm%r = math_expand(prm%r,prm%N_tw) ! sanity checks + if (.not. prm%fccTwinTransNucleation) extmsg = trim(extmsg)//' TWIP for non-fcc' if ( prm%L_tw < 0.0_pReal) extmsg = trim(extmsg)//' L_tw' if ( prm%i_tw < 0.0_pReal) extmsg = trim(extmsg)//' i_tw' if (any(prm%b_tw < 0.0_pReal)) extmsg = trim(extmsg)//' b_tw' if (any(prm%t_tw < 0.0_pReal)) extmsg = trim(extmsg)//' t_tw' if (any(prm%r < 0.0_pReal)) extmsg = trim(extmsg)//' p_tw' - if (.not. prm%fccTwinTransNucleation) then - if (any(prm%dot_N_0_tw < 0.0_pReal)) extmsg = trim(extmsg)//' dot_N_0_tw' - end if else twinActive - allocate(prm%gamma_char,prm%b_tw,prm%dot_N_0_tw,prm%t_tw,prm%r,source=emptyRealArray) + allocate(prm%gamma_char,prm%b_tw,prm%t_tw,prm%r,source=emptyRealArray) allocate(prm%h_tw_tw(0,0)) end if twinActive !-------------------------------------------------------------------------------------------------- ! transformation related parameters - prm%N_tr = pl%get_as1dInt('N_tr', defaultVal=emptyIntArray) + prm%N_tr = pl%get_as1dInt('N_tr', defaultVal=emptyIntArray) prm%sum_N_tr = sum(abs(prm%N_tr)) transActive: if (prm%sum_N_tr > 0) then prm%b_tr = pl%get_as1dFloat('b_tr') prm%b_tr = math_expand(prm%b_tr,prm%N_tr) - prm%h = pl%get_asFloat('h', defaultVal=0.0_pReal) ! ToDo: This is not optional! - prm%i_tr = pl%get_asFloat('i_tr', defaultVal=0.0_pReal) ! ToDo: This is not optional! + prm%h = pl%get_asFloat('h') + prm%i_tr = pl%get_asFloat('i_tr') prm%Delta_G(1) = pl%get_asFloat('Delta_G') prm%Delta_G(2) = pl%get_asFloat('Delta_G,T', defaultVal=0.0_pReal) prm%Delta_G(3) = pl%get_asFloat('Delta_G,T^2',defaultVal=0.0_pReal) @@ -317,10 +310,11 @@ module function plastic_dislotwin_init() result(myPlasticity) prm%t_tr = pl%get_as1dFloat('t_tr') prm%t_tr = math_expand(prm%t_tr,prm%N_tr) - prm%s = pl%get_as1dFloat('p_tr',defaultVal=[0.0_pReal]) + prm%s = pl%get_as1dFloat('p_tr') prm%s = math_expand(prm%s,prm%N_tr) ! sanity checks + if (.not. prm%fccTwinTransNucleation) extmsg = trim(extmsg)//' TRIP for non-fcc' if ( prm%L_tr < 0.0_pReal) extmsg = trim(extmsg)//' L_tr' if ( prm%i_tr < 0.0_pReal) extmsg = trim(extmsg)//' i_tr' if (any(prm%t_tr < 0.0_pReal)) extmsg = trim(extmsg)//' t_tr' @@ -931,55 +925,39 @@ 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)) + x0 = mu*prm%b_sl(1)**2*(2.0_pReal+nu)/(Gamma_sf*8.0_pReal*PI*(1.0_pReal-nu)) + tau_r = mu*prm%b_sl(1)/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%x_c)+cos(PI/3.0_pReal)/x0) - 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)) - x0 = mu*prm%b_sl(1)**2*(2.0_pReal+nu)/(Gamma_sf*8.0_pReal*PI*(1.0_pReal-nu)) - tau_r = mu*prm%b_sl(1)/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%x_c)+cos(PI/3.0_pReal)/x0) + do i = 1, prm%sum_N_tw + tau = math_tensordot(Mp,prm%P_tw(1:3,1:3,i)) - do i = 1, prm%sum_N_tw - tau = math_tensordot(Mp,prm%P_tw(1:3,1:3,i)) + if (tau > tol_math_check .and. tau < tau_r) then + P = exp(-(tau_hat/tau)**prm%r(i)) + dP_dTau = prm%r(i) * (tau_hat/tau)**prm%r(i)/tau * P - if (tau > tol_math_check .and. tau < tau_r) then - 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))) & + / (prm%L_tw*prm%b_sl(i)) - 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))) & - / (prm%L_tw*prm%b_sl(i)) + P_ncs = 1.0_pReal-exp(-prm%V_cs/(K_B*T)*(tau_r-tau)) + dP_ncs_dtau = prm%V_cs / (K_B * T) * (P_ncs - 1.0_pReal) - P_ncs = 1.0_pReal-exp(-prm%V_cs/(K_B*T)*(tau_r-tau)) - dP_ncs_dtau = prm%V_cs / (K_B * T) * (P_ncs - 1.0_pReal) - - V = PI/4.0_pReal*dst%Lambda_tw(i,en)**2*prm%t_tw(i) - dot_gamma_tw(i) = V*dot_N_0*P_ncs*P - if (present(ddot_gamma_dtau_tw)) & - ddot_gamma_dtau_tw(i) = V*dot_N_0*(P*dP_ncs_dtau + P_ncs*dP_dtau) - else - dot_gamma_tw(i) = 0.0_pReal - if (present(ddot_gamma_dtau_tw)) ddot_gamma_dtau_tw(i) = 0.0_pReal - end if - end do - - else isFCC - do i = 1, prm%sum_N_tw - error stop 'not implemented' - tau = math_tensordot(Mp,prm%P_tw(1:3,1:3,i)) - if (tau > tol_math_check) then - dot_gamma_tw(i) = 0.0_pReal - if (present(ddot_gamma_dtau_tw)) ddot_gamma_dtau_tw(i) = 0.0_pReal - else - dot_gamma_tw(i) = 0.0_pReal - if (present(ddot_gamma_dtau_tw)) ddot_gamma_dtau_tw(i) = 0.0_pReal - end if - end do - end if isFCC + V = PI/4.0_pReal*dst%Lambda_tw(i,en)**2*prm%t_tw(i) + dot_gamma_tw(i) = V*dot_N_0*P_ncs*P + if (present(ddot_gamma_dtau_tw)) & + ddot_gamma_dtau_tw(i) = V*dot_N_0*(P*dP_ncs_dtau + P_ncs*dP_dtau) + else + dot_gamma_tw(i) = 0.0_pReal + if (present(ddot_gamma_dtau_tw)) ddot_gamma_dtau_tw(i) = 0.0_pReal + end if + end do end associate