From 20b2079135c85e1c6e23975c313b0971519a561e Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sun, 6 Feb 2022 08:10:23 +0100 Subject: [PATCH] need to read V_mol, default of 1.0 gives strange results --- src/phase_mechanical_plastic_dislotwin.f90 | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/src/phase_mechanical_plastic_dislotwin.f90 b/src/phase_mechanical_plastic_dislotwin.f90 index 046d8f2ca..016e9baa8 100644 --- a/src/phase_mechanical_plastic_dislotwin.f90 +++ b/src/phase_mechanical_plastic_dislotwin.f90 @@ -302,6 +302,7 @@ module function plastic_dislotwin_init() result(myPlasticity) prm%h = 5.0_pReal * a_cF/sqrt(3.0_pReal) prm%cOverA_hP = pl%get_asFloat('c/a_hP') prm%rho = 4.0_pReal/(sqrt(3.0_pReal)*a_cF**2)/N_A + prm%V_mol = pl%get_asFloat('V_mol') prm%h_tr_tr = lattice_interaction_TransByTrans(prm%N_tr,pl%get_as1dFloat('h_tr-tr'),& phase_lattice(ph)) @@ -315,6 +316,7 @@ module function plastic_dislotwin_init() result(myPlasticity) ! 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%V_mol < 0.0_pReal) extmsg = trim(extmsg)//' V_mol' 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' if (any(prm%s < 0.0_pReal)) extmsg = trim(extmsg)//' p_tr' @@ -1025,7 +1027,7 @@ pure subroutine kinetics_tr(Mp,T,dot_gamma_sl,ph,en,& 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_tr(i,en)**2*prm%t_tr(i) dot_gamma_tr(i) = V*dot_N_0*P_ncs*P*prm%gamma_char_tr if (present(ddot_gamma_dtau_tr)) &