avoid global states
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Martin Diehl
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5267794ff2
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60e6e90874
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@ -99,9 +99,7 @@ submodule(phase:plastic) dislotwin
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Lambda_sl, & !< mean free path between 2 obstacles seen by a moving dislocation
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Lambda_tw, & !< mean free path between 2 obstacles seen by a growing twin
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Lambda_tr, & !< mean free path between 2 obstacles seen by a growing martensite
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tau_pass, & !< threshold stress for slip
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tau_hat_tw, & !< threshold stress for twinning
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tau_hat_tr !< threshold stress for transformation
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tau_pass !< threshold stress for slip
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end type tDislotwinDependentState
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!--------------------------------------------------------------------------------------------------
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@ -429,14 +427,10 @@ module function plastic_dislotwin_init() result(myPlasticity)
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plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_f_tr',defaultVal=1.0e-6_pReal)
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if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_f_tr'
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allocate(dst%Lambda_sl (prm%sum_N_sl,Nmembers),source=0.0_pReal)
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allocate(dst%tau_pass (prm%sum_N_sl,Nmembers),source=0.0_pReal)
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allocate(dst%Lambda_sl (prm%sum_N_sl,Nmembers),source=0.0_pReal)
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allocate(dst%Lambda_tw (prm%sum_N_tw,Nmembers),source=0.0_pReal)
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allocate(dst%tau_hat_tw (prm%sum_N_tw,Nmembers),source=0.0_pReal)
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allocate(dst%Lambda_tr (prm%sum_N_tr,Nmembers),source=0.0_pReal)
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allocate(dst%tau_hat_tr (prm%sum_N_tr,Nmembers),source=0.0_pReal)
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end associate
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@ -723,7 +717,6 @@ module subroutine dislotwin_dependentState(T,ph,en)
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T
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real(pReal) :: &
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Gamma_sf, Delta_G, &
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sumf_tw, sumf_tr
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real(pReal), dimension(param(ph)%sum_N_sl) :: &
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inv_lambda_sl
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@ -740,18 +733,9 @@ module subroutine dislotwin_dependentState(T,ph,en)
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associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
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mu = elastic_mu(ph,en)
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nu = elastic_nu(ph,en)
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sumf_tw = sum(stt%f_tw(1:prm%sum_N_tw,en))
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sumf_tr = sum(stt%f_tr(1:prm%sum_N_tr,en))
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Gamma_sf = prm%Gamma_sf(1) &
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+ prm%Gamma_sf(2) * (T-prm%T_ref) &
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+ prm%Gamma_sf(3) * (T-prm%T_ref)**2
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Delta_G = prm%Delta_G(1) &
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+ prm%Delta_G(2) * (T-prm%T_ref) &
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+ prm%Delta_G(3) * (T-prm%T_ref)**2
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!* rescaled volume fraction for topology
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f_over_t_tw = stt%f_tw(1:prm%sum_N_tw,en)/prm%t_tw ! this is per system ...
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f_over_t_tr = sumf_tr/prm%t_tr ! but this not
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@ -773,13 +757,6 @@ module subroutine dislotwin_dependentState(T,ph,en)
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!* threshold stress for dislocation motion
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dst%tau_pass(:,en) = mu*prm%b_sl* sqrt(matmul(prm%h_sl_sl,stt%rho_mob(:,en)+stt%rho_dip(:,en)))
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!* threshold stress for growing twin/martensite
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dst%tau_hat_tw(:,en) = Gamma_sf/(3.0_pReal*prm%b_tw) &
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+ 3.0_pReal*prm%b_tw*mu/(prm%L_tw*prm%b_tw)
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dst%tau_hat_tr(:,en) = Gamma_sf/(3.0_pReal*prm%b_tr) &
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+ 3.0_pReal*prm%b_tr*mu/(prm%L_tr*prm%b_tr) &
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+ prm%h*Delta_G/(3.0_pReal*prm%b_tr)
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end associate
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end subroutine dislotwin_dependentState
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@ -824,9 +801,6 @@ module subroutine plastic_dislotwin_results(ph,group)
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case('Lambda_tw')
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call results_writeDataset(dst%Lambda_tw,group,trim(prm%output(ou)), &
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'mean free path for twinning','m',prm%systems_tw)
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case('tau_hat_tw')
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call results_writeDataset(dst%tau_hat_tw,group,trim(prm%output(ou)), &
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'threshold stress for twinning','Pa',prm%systems_tw)
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case('f_tr')
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if (prm%sum_N_tr>0) call results_writeDataset(stt%f_tr,group,trim(prm%output(ou)), &
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@ -944,7 +918,7 @@ pure subroutine kinetics_tw(Mp,T,dot_gamma_sl,ph,en,&
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ddot_gamma_dtau_tw
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real :: &
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tau, tau_r, &
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tau, tau_r, tau_hat, &
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dot_N_0, &
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x0, V, &
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Gamma_sf, &
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@ -959,11 +933,14 @@ pure subroutine kinetics_tw(Mp,T,dot_gamma_sl,ph,en,&
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associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
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isFCC: if (prm%fccTwinTransNucleation) then
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mu = elastic_mu(ph,en)
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nu = elastic_nu(ph,en)
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Gamma_sf = prm%Gamma_sf(1) &
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+ prm%Gamma_sf(2) * (T-prm%T_ref) &
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+ prm%Gamma_sf(3) * (T-prm%T_ref)**2
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tau_hat = 3.0_pReal*prm%b_tw(1)*mu/prm%L_tw &
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+ Gamma_sf/(3.0_pReal*prm%b_tw(1))
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do i = 1, prm%sum_N_tw
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tau = math_tensordot(Mp,prm%P_tw(1:3,1:3,i))
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@ -971,8 +948,8 @@ pure subroutine kinetics_tw(Mp,T,dot_gamma_sl,ph,en,&
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tau_r = mu*prm%b_tw(i)/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%x_c_tw)+cos(PI/3.0_pReal)/x0) ! ToDo: In the paper, the Burgers vector for slip is used
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if (tau > tol_math_check .and. tau < tau_r) then
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P = exp(-(dst%tau_hat_tw(i,en)/tau)**prm%r(i))
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dP_dTau = prm%r(i) * (dst%tau_hat_tw(i,en)/tau)**prm%r(i)/tau * P
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P = exp(-(tau_hat/tau)**prm%r(i))
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dP_dTau = prm%r(i) * (tau_hat/tau)**prm%r(i)/tau * P
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s = prm%fcc_twinNucleationSlipPair(1:2,i)
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dot_N_0 = sum(abs(dot_gamma_sl(s(2:1:-1)))*(stt%rho_mob(s,en)+stt%rho_dip(s,en))) &
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@ -1036,10 +1013,10 @@ pure subroutine kinetics_tr(Mp,T,dot_gamma_sl,ph,en,&
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ddot_gamma_dtau_tr
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real :: &
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tau, tau_r, &
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tau, tau_r, tau_hat, &
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dot_N_0, &
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x0, V, &
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Gamma_sf, &
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Gamma_sf, Delta_G, &
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mu, nu, &
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P_ncs, dP_ncs_dtau, &
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P, dP_dtau
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@ -1055,6 +1032,12 @@ pure subroutine kinetics_tr(Mp,T,dot_gamma_sl,ph,en,&
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Gamma_sf = prm%Gamma_sf(1) &
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+ prm%Gamma_sf(2) * (T-prm%T_ref) &
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+ prm%Gamma_sf(3) * (T-prm%T_ref)**2
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Delta_G = prm%Delta_G(1) &
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+ prm%Delta_G(2) * (T-prm%T_ref) &
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+ prm%Delta_G(3) * (T-prm%T_ref)**2
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tau_hat = 3.0_pReal*prm%b_tr(1)*mu/prm%L_tr &
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+ Gamma_sf/(3.0_pReal*prm%b_tr(1)) &
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+ prm%h*Delta_G/(3.0_pReal*prm%b_tr(1))
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do i = 1, prm%sum_N_tr
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tau = math_tensordot(Mp,prm%P_tr(1:3,1:3,i))
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@ -1062,8 +1045,8 @@ pure subroutine kinetics_tr(Mp,T,dot_gamma_sl,ph,en,&
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tau_r = mu*prm%b_tr(i)/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%x_c_tr)+cos(PI/3.0_pReal)/x0) ! ToDo: In the paper, the Burgers vector for slip is used
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if (tau > tol_math_check .and. tau < tau_r) then
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P = exp(-(dst%tau_hat_tr(i,en)/tau)**prm%s(i))
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dP_dTau = prm%s(i) * (dst%tau_hat_tr(i,en)/tau)**prm%s(i)/tau * P
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P = exp(-(tau_hat/tau)**prm%s(i))
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dP_dTau = prm%s(i) * (tau_hat/tau)**prm%s(i)/tau * P
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s = prm%fcc_twinNucleationSlipPair(1:2,i)
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dot_N_0 = sum(abs(dot_gamma_sl(s(2:1:-1)))*(stt%rho_mob(s,en)+stt%rho_dip(s,en))) &
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