diff --git a/examples/config/Phase_Dislotungsten_W.yaml b/examples/config/Phase_Dislotungsten_W.yaml index 38cf2d4e4..bf8796cfa 100644 --- a/examples/config/Phase_Dislotungsten_W.yaml +++ b/examples/config/Phase_Dislotungsten_W.yaml @@ -16,7 +16,7 @@ h: [2.566e-10] w: [2.992e-09] B: [8.3e-5] D_a: 1.0 # d_edge - + # climb (disabled) D_0: 0.0 Q_cl: 0.0 diff --git a/src/phase_mechanical_plastic_dislotungsten.f90 b/src/phase_mechanical_plastic_dislotungsten.f90 index 0fc0076fc..e7cf32080 100644 --- a/src/phase_mechanical_plastic_dislotungsten.f90 +++ b/src/phase_mechanical_plastic_dislotungsten.f90 @@ -18,7 +18,7 @@ submodule(phase:plastic) dislotungsten Q_cl = 1.0_pReal !< activation energy for dislocation climb real(pReal), allocatable, dimension(:) :: & b_sl, & !< magnitude of Burgers vector [m] - D_a, & + d_caron, & !< distance of spontaneous annhihilation i_sl, & !< Adj. parameter for distance between 2 forest dislocations f_at, & !< factor to calculate atomic volume tau_Peierls, & !< Peierls stress @@ -172,7 +172,6 @@ module function plastic_dislotungsten_init() result(myPlasticity) prm%D_0 = pl%get_asFloat('D_0') prm%Q_cl = pl%get_asFloat('Q_cl') prm%f_at = pl%get_asFloat('f_at') * prm%b_sl**3.0_pReal - prm%D_a = pl%get_asFloat('D_a') * prm%b_sl prm%dipoleformation = .not. pl%get_asBool('no_dipole_formation', defaultVal = .false.) @@ -191,7 +190,7 @@ module function plastic_dislotungsten_init() result(myPlasticity) prm%B = math_expand(prm%B, N_sl) prm%i_sl = math_expand(prm%i_sl, N_sl) prm%f_at = math_expand(prm%f_at, N_sl) - prm%D_a = math_expand(prm%D_a, N_sl) + prm%d_caron = pl%get_asFloat('D_a') * prm%b_sl ! sanity checks if ( prm%D_0 <= 0.0_pReal) extmsg = trim(extmsg)//' D_0' @@ -202,12 +201,13 @@ module function plastic_dislotungsten_init() result(myPlasticity) if (any(prm%b_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' b_sl' if (any(prm%Q_s <= 0.0_pReal)) extmsg = trim(extmsg)//' Q_s' if (any(prm%tau_Peierls < 0.0_pReal)) extmsg = trim(extmsg)//' tau_Peierls' - if (any(prm%D_a <= 0.0_pReal)) extmsg = trim(extmsg)//' D_a or b_sl' + if (any(prm%B < 0.0_pReal)) extmsg = trim(extmsg)//' B' + if (any(prm%d_caron < 0.0_pReal)) extmsg = trim(extmsg)//' d_caron(D_a,b_sl)' if (any(prm%f_at <= 0.0_pReal)) extmsg = trim(extmsg)//' f_at or b_sl' else slipActive rho_mob_0= emptyRealArray; rho_dip_0 = emptyRealArray - allocate(prm%b_sl,prm%D_a,prm%i_sl,prm%f_at,prm%tau_Peierls, & + allocate(prm%b_sl,prm%d_caron,prm%i_sl,prm%f_at,prm%tau_Peierls, & prm%Q_s,prm%v_0,prm%p,prm%q,prm%B,prm%h,prm%w,prm%omega, & source = emptyRealArray) allocate(prm%forestProjection(0,0)) @@ -316,8 +316,6 @@ module subroutine dislotungsten_dotState(Mp,T,ph,en) ph, & en - real(pReal) :: & - VacancyDiffusion real(pReal), dimension(param(ph)%sum_N_sl) :: & dot_gamma_pos, dot_gamma_neg,& tau_pos,& @@ -325,38 +323,36 @@ module subroutine dislotungsten_dotState(Mp,T,ph,en) v_cl, & dot_rho_dip_formation, & dot_rho_dip_climb, & - dip_distance + d_hat - associate(prm => param(ph), stt => state(ph),& - dot => dotState(ph), dst => dependentState(ph)) + associate(prm => param(ph), stt => state(ph), dot => dotState(ph), dst => dependentState(ph)) call kinetics(Mp,T,ph,en,& dot_gamma_pos,dot_gamma_neg, & tau_pos_out = tau_pos,tau_neg_out = tau_neg) dot%gamma_sl(:,en) = (dot_gamma_pos+dot_gamma_neg) ! ToDo: needs to be abs - VacancyDiffusion = prm%D_0*exp(-prm%Q_cl/(kB*T)) where(dEq0(tau_pos)) ! ToDo: use avg of pos and neg dot_rho_dip_formation = 0.0_pReal dot_rho_dip_climb = 0.0_pReal else where - dip_distance = math_clip(3.0_pReal*prm%mu*prm%b_sl/(16.0_pReal*PI*abs(tau_pos)), & - prm%D_a, & ! lower limit - dst%Lambda_sl(:,en)) ! upper limit - dot_rho_dip_formation = merge(2.0_pReal*dip_distance* stt%rho_mob(:,en)*abs(dot%gamma_sl(:,en))/prm%b_sl, & ! ToDo: ignore region of spontaneous annihilation + d_hat = math_clip(3.0_pReal*prm%mu*prm%b_sl/(16.0_pReal*PI*abs(tau_pos)), & + prm%d_caron, & ! lower limit + dst%Lambda_sl(:,en)) ! upper limit + dot_rho_dip_formation = merge(2.0_pReal*d_hat* stt%rho_mob(:,en)*abs(dot%gamma_sl(:,en))/prm%b_sl, & ! ToDo: ignore region of spontaneous annihilation 0.0_pReal, & prm%dipoleformation) - v_cl = (3.0_pReal*prm%mu*VacancyDiffusion*prm%f_at/(2.0_pReal*pi*kB*T)) & - * (1.0_pReal/(dip_distance+prm%D_a)) - dot_rho_dip_climb = (4.0_pReal*v_cl*stt%rho_dip(:,en))/(dip_distance-prm%D_a) ! ToDo: Discuss with Franz: Stress dependency? + v_cl = (3.0_pReal*prm%mu*prm%D_0*exp(-prm%Q_cl/(kB*T))*prm%f_at/(2.0_pReal*PI*kB*T)) & + * (1.0_pReal/(d_hat+prm%d_caron)) + dot_rho_dip_climb = (4.0_pReal*v_cl*stt%rho_dip(:,en))/(d_hat-prm%d_caron) ! ToDo: Discuss with Franz: Stress dependency? end where dot%rho_mob(:,en) = abs(dot%gamma_sl(:,en))/(prm%b_sl*dst%Lambda_sl(:,en)) & ! multiplication - dot_rho_dip_formation & - - (2.0_pReal*prm%D_a)/prm%b_sl*stt%rho_mob(:,en)*abs(dot%gamma_sl(:,en)) ! Spontaneous annihilation of 2 single edge dislocations + - (2.0_pReal*prm%d_caron)/prm%b_sl*stt%rho_mob(:,en)*abs(dot%gamma_sl(:,en)) ! Spontaneous annihilation of 2 edges dot%rho_dip(:,en) = dot_rho_dip_formation & - - (2.0_pReal*prm%D_a)/prm%b_sl*stt%rho_dip(:,en)*abs(dot%gamma_sl(:,en)) & ! Spontaneous annihilation of a single edge dislocation with a dipole constituent + - (2.0_pReal*prm%d_caron)/prm%b_sl*stt%rho_dip(:,en)*abs(dot%gamma_sl(:,en)) & ! Spontaneous annihilation of an edge with a dipole - dot_rho_dip_climb end associate