From 6936ecb0910066fbfa59fcd19331a93fae4caa50 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 23 Jul 2021 21:36:26 +0200 Subject: [PATCH] sl is the subscript for slip --- .../Phase_Dislotwin_TWIP-Steel-FeMnC.yaml | 2 +- .../plastic/dislotwin_IF-steel.yaml | 2 +- src/phase_mechanical_plastic_dislotwin.f90 | 48 +++++++++---------- 3 files changed, 25 insertions(+), 27 deletions(-) diff --git a/examples/config/Phase_Dislotwin_TWIP-Steel-FeMnC.yaml b/examples/config/Phase_Dislotwin_TWIP-Steel-FeMnC.yaml index fe51585be..6c19b9f93 100644 --- a/examples/config/Phase_Dislotwin_TWIP-Steel-FeMnC.yaml +++ b/examples/config/Phase_Dislotwin_TWIP-Steel-FeMnC.yaml @@ -6,7 +6,7 @@ b_sl: [2.56e-10] rho_mob_0: [1.0e+12] rho_dip_0: [1.0] v_0: [1.0e+4] -Q_s: [3.7e-19] +Q_sl: [3.7e-19] p_sl: [1.0] q_sl: [1.0] tau_0: [1.5e+8] diff --git a/examples/config/phase/mechanical/plastic/dislotwin_IF-steel.yaml b/examples/config/phase/mechanical/plastic/dislotwin_IF-steel.yaml index 5478aa869..e48d5437f 100644 --- a/examples/config/phase/mechanical/plastic/dislotwin_IF-steel.yaml +++ b/examples/config/phase/mechanical/plastic/dislotwin_IF-steel.yaml @@ -11,7 +11,7 @@ b_sl: [2.49e-10, 2.49e-10] rho_mob_0: [2.81e12, 2.8e+12] rho_dip_0: [1.0, 1.0] # not given v_0: [1.4e+3, 1.4e+3] -Q_s: [1.57e-19, 1.57e-19] # Delta_F +Q_sl: [1.57e-19, 1.57e-19] # Delta_F tau_0: [454.e+6, 454.e+6] p_sl: [0.325, 0.325] q_sl: [1.55, 1.55] diff --git a/src/phase_mechanical_plastic_dislotwin.f90 b/src/phase_mechanical_plastic_dislotwin.f90 index 6ecf9ee7a..4aa62bcb8 100644 --- a/src/phase_mechanical_plastic_dislotwin.f90 +++ b/src/phase_mechanical_plastic_dislotwin.f90 @@ -22,7 +22,6 @@ submodule(phase:plastic) dislotwin D = 1.0_pReal, & !< grain size p_sb = 1.0_pReal, & !< p-exponent in shear band velocity q_sb = 1.0_pReal, & !< q-exponent in shear band velocity - D_a = 1.0_pReal, & !< adjustment parameter to calculate minimum dipole distance i_tw = 1.0_pReal, & !< adjustment parameter to calculate MFP for twinning L_tw = 1.0_pReal, & !< Length of twin nuclei in Burgers vectors L_tr = 1.0_pReal, & !< Length of trans nuclei in Burgers vectors @@ -42,7 +41,7 @@ submodule(phase:plastic) dislotwin b_sl, & !< absolute length of Burgers vector [m] for each slip system b_tw, & !< absolute length of Burgers vector [m] for each twin system b_tr, & !< absolute length of Burgers vector [m] for each transformation system - Q_s,& !< activation energy for glide [J] for each slip system + Q_sl,& !< activation energy for glide [J] for each slip system v_0, & !< dislocation velocity prefactor [m/s] for each slip system dot_N_0_tw, & !< twin nucleation rate [1/m³s] for each twin system dot_N_0_tr, & !< trans nucleation rate [1/m³s] for each trans system @@ -55,7 +54,8 @@ submodule(phase:plastic) dislotwin s, & !< s-exponent in trans nucleation rate tau_0, & !< strength due to elements in solid solution gamma_char, & !< characteristic shear for twins - B !< drag coefficient + B, & !< drag coefficient + d_caron !< distance of spontaneous annhihilation real(pReal), allocatable, dimension(:,:) :: & h_sl_sl, & !< components of slip-slip interaction matrix h_sl_tw, & !< components of slip-twin interaction matrix @@ -206,7 +206,7 @@ module function plastic_dislotwin_init() result(myPlasticity) rho_dip_0 = pl%get_as1dFloat('rho_dip_0', requiredSize=size(N_sl)) prm%v_0 = pl%get_as1dFloat('v_0', requiredSize=size(N_sl)) prm%b_sl = pl%get_as1dFloat('b_sl', requiredSize=size(N_sl)) - prm%Q_s = pl%get_as1dFloat('Q_s', requiredSize=size(N_sl)) + prm%Q_sl = pl%get_as1dFloat('Q_sl', requiredSize=size(N_sl)) prm%i_sl = pl%get_as1dFloat('i_sl', requiredSize=size(N_sl)) prm%p = pl%get_as1dFloat('p_sl', requiredSize=size(N_sl)) prm%q = pl%get_as1dFloat('q_sl', requiredSize=size(N_sl)) @@ -214,9 +214,8 @@ module function plastic_dislotwin_init() result(myPlasticity) prm%B = pl%get_as1dFloat('B', requiredSize=size(N_sl), & defaultVal=[(0.0_pReal, i=1,size(N_sl))]) - prm%D_a = pl%get_asFloat('D_a') - prm%D_0 = pl%get_asFloat('D_0') - prm%Q_cl = pl%get_asFloat('Q_cl') + prm%D_0 = pl%get_asFloat('D_0') + prm%Q_cl = pl%get_asFloat('Q_cl') prm%ExtendedDislocations = pl%get_asBool('extend_dislocations',defaultVal = .false.) prm%omitDipoles = pl%get_asBool('omit_dipoles',defaultVal = .false.) @@ -231,12 +230,13 @@ module function plastic_dislotwin_init() result(myPlasticity) rho_dip_0 = math_expand(rho_dip_0, N_sl) prm%v_0 = math_expand(prm%v_0, N_sl) prm%b_sl = math_expand(prm%b_sl, N_sl) - prm%Q_s = math_expand(prm%Q_s, N_sl) + prm%Q_sl = math_expand(prm%Q_sl, N_sl) prm%i_sl = math_expand(prm%i_sl, N_sl) prm%p = math_expand(prm%p, N_sl) prm%q = math_expand(prm%q, N_sl) prm%tau_0 = math_expand(prm%tau_0, N_sl) prm%B = math_expand(prm%B, 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' @@ -245,14 +245,15 @@ module function plastic_dislotwin_init() result(myPlasticity) if (any(rho_dip_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_dip_0' if (any(prm%v_0 < 0.0_pReal)) extmsg = trim(extmsg)//' v_0' 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%Q_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' Q_sl' if (any(prm%i_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' i_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%p<=0.0_pReal .or. prm%p>1.0_pReal)) extmsg = trim(extmsg)//' p_sl' if (any(prm%q< 1.0_pReal .or. prm%q>2.0_pReal)) extmsg = trim(extmsg)//' q_sl' else slipActive rho_mob_0 = emptyRealArray; rho_dip_0 = emptyRealArray - allocate(prm%b_sl,prm%Q_s,prm%v_0,prm%i_sl,prm%p,prm%q,prm%B,source=emptyRealArray) + allocate(prm%b_sl,prm%Q_sl,prm%v_0,prm%i_sl,prm%p,prm%q,prm%B,source=emptyRealArray) allocate(prm%forestProjection(0,0),prm%h_sl_sl(0,0)) endif slipActive @@ -631,7 +632,7 @@ module subroutine dislotwin_dotState(Mp,T,ph,en) integer :: i real(pReal) :: & f_unrotated, & - rho_dip_distance, & + d_hat, & v_cl, & !< climb velocity tau, & sigma_cl, & !< climb stress @@ -639,15 +640,14 @@ module subroutine dislotwin_dotState(Mp,T,ph,en) real(pReal), dimension(param(ph)%sum_N_sl) :: & dot_rho_dip_formation, & dot_rho_dip_climb, & - rho_dip_distance_min, & dot_gamma_sl real(pReal), dimension(param(ph)%sum_N_tw) :: & dot_gamma_tw real(pReal), dimension(param(ph)%sum_N_tr) :: & dot_gamma_tr - 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)) f_unrotated = 1.0_pReal & - sum(stt%f_tw(1:prm%sum_N_tw,en)) & @@ -656,8 +656,6 @@ module subroutine dislotwin_dotState(Mp,T,ph,en) call kinetics_sl(Mp,T,ph,en,dot_gamma_sl) dot%gamma_sl(:,en) = abs(dot_gamma_sl) - rho_dip_distance_min = prm%D_a*prm%b_sl - slipState: do i = 1, prm%sum_N_sl tau = math_tensordot(Mp,prm%P_sl(1:3,1:3,i)) @@ -665,14 +663,14 @@ module subroutine dislotwin_dotState(Mp,T,ph,en) dot_rho_dip_formation(i) = 0.0_pReal dot_rho_dip_climb(i) = 0.0_pReal else significantSlipStress - rho_dip_distance = 3.0_pReal*prm%mu*prm%b_sl(i)/(16.0_pReal*PI*abs(tau)) - rho_dip_distance = math_clip(rho_dip_distance, right = dst%Lambda_sl(i,en)) - rho_dip_distance = math_clip(rho_dip_distance, left = rho_dip_distance_min(i)) + d_hat = 3.0_pReal*prm%mu*prm%b_sl(i)/(16.0_pReal*PI*abs(tau)) + d_hat = math_clip(d_hat, right = dst%Lambda_sl(i,en)) + d_hat = math_clip(d_hat, left = prm%d_caron(i)) - dot_rho_dip_formation(i) = 2.0_pReal*(rho_dip_distance-rho_dip_distance_min(i))/prm%b_sl(i) & + dot_rho_dip_formation(i) = 2.0_pReal*(d_hat-prm%d_caron(i))/prm%b_sl(i) & * stt%rho_mob(i,en)*abs(dot_gamma_sl(i)) - if (dEq(rho_dip_distance,rho_dip_distance_min(i))) then + if (dEq(d_hat,prm%d_caron(i))) then dot_rho_dip_climb(i) = 0.0_pReal else ! Argon & Moffat, Acta Metallurgica, Vol. 29, pg 293 to 299, 1981 @@ -685,17 +683,17 @@ module subroutine dislotwin_dotState(Mp,T,ph,en) * (exp(abs(sigma_cl)*prm%b_sl(i)**3.0_pReal/(kB*T)) - 1.0_pReal) dot_rho_dip_climb(i) = 4.0_pReal*v_cl*stt%rho_dip(i,en) & - / (rho_dip_distance-rho_dip_distance_min(i)) + / (d_hat-prm%d_caron(i)) endif endif significantSlipStress enddo slipState dot%rho_mob(:,en) = abs(dot_gamma_sl)/(prm%b_sl*dst%Lambda_sl(:,en)) & - dot_rho_dip_formation & - - 2.0_pReal*rho_dip_distance_min/prm%b_sl * stt%rho_mob(:,en)*abs(dot_gamma_sl) + - 2.0_pReal*prm%d_caron/prm%b_sl * stt%rho_mob(:,en)*abs(dot_gamma_sl) dot%rho_dip(:,en) = dot_rho_dip_formation & - - 2.0_pReal*rho_dip_distance_min/prm%b_sl * stt%rho_dip(:,en)*abs(dot_gamma_sl) & + - 2.0_pReal*prm%d_caron/prm%b_sl * stt%rho_dip(:,en)*abs(dot_gamma_sl) & - dot_rho_dip_climb call kinetics_tw(Mp,T,dot_gamma_sl,ph,en,dot_gamma_tw) @@ -885,7 +883,7 @@ pure subroutine kinetics_sl(Mp,T,ph,en, & significantStress: where(tau_eff > tol_math_check) stressRatio = tau_eff/prm%tau_0 StressRatio_p = stressRatio** prm%p - BoltzmannRatio = prm%Q_s/(kB*T) + BoltzmannRatio = prm%Q_sl/(kB*T) v_wait_inverse = prm%v_0**(-1.0_pReal) * exp(BoltzmannRatio*(1.0_pReal-StressRatio_p)** prm%q) v_run_inverse = prm%B/(tau_eff*prm%b_sl)