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need to read V_mol, default of 1.0 gives strange results

This commit is contained in:
Martin Diehl 2022-02-06 08:10:23 +01:00
parent 978aa8a690
commit 20b2079135
1 changed files with 3 additions and 1 deletions
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4
src/phase_mechanical_plastic_dislotwin.f90
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@ -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)) &