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DAMASK_EICMD
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easier to read 

removed comment regarding use of dot_state in kinetics_t(w/r). Data stored
in dotState is not reliable, FPI integrator for writes to it and Runge-Kutta
calls the dot state function at different time steps
This commit is contained in:
Martin Diehl 2021-07-24 07:09:35 +02:00
parent 527fd306e2
commit d4ffc778c2
1 changed files with 123 additions and 120 deletions
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29
src/phase_mechanical_plastic_dislotwin.f90
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@ -517,7 +517,7 @@ module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,ph,en)
integer :: i,k,l,m,n
real(pReal) :: &
f_unrotated,StressRatio_p,&
BoltzmannRatio, &
E_kB_T, &
ddot_gamma_dtau, &
tau
real(pReal), dimension(param(ph)%sum_N_sl) :: &
@ -587,7 +587,7 @@ module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,ph,en)
shearBandingContribution: if(dNeq0(prm%v_sb)) then
BoltzmannRatio = prm%E_sb/(kB*T)
E_kB_T = prm%E_sb/(kB*T)
call math_eigh33(eigValues,eigVectors,Mp) ! is Mp symmetric by design?
do i = 1,6
@ -597,8 +597,8 @@ module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,ph,en)
significantShearBandStress: if (abs(tau) > tol_math_check) then
StressRatio_p = (abs(tau)/prm%xi_sb)**prm%p_sb
dot_gamma_sb = sign(prm%v_sb*exp(-BoltzmannRatio*(1-StressRatio_p)**prm%q_sb), tau)
ddot_gamma_dtau = abs(dot_gamma_sb)*BoltzmannRatio* prm%p_sb*prm%q_sb/ prm%xi_sb &
dot_gamma_sb = sign(prm%v_sb*exp(-E_kB_T*(1-StressRatio_p)**prm%q_sb), tau)
ddot_gamma_dtau = abs(dot_gamma_sb)*E_kB_T*prm%p_sb*prm%q_sb/prm%xi_sb &
* (abs(tau)/prm%xi_sb)**(prm%p_sb-1.0_pReal) &
* (1.0_pReal-StressRatio_p)**(prm%q_sb-1.0_pReal)
@ -865,7 +865,7 @@ pure subroutine kinetics_sl(Mp,T,ph,en, &
tau, &
stressRatio, &
StressRatio_p, &
BoltzmannRatio, &
Q_kB_T, &
v_wait_inverse, & !< inverse of the effective velocity of a dislocation waiting at obstacles (unsigned)
v_run_inverse, & !< inverse of the velocity of a free moving dislocation (unsigned)
dV_wait_inverse_dTau, &
@ -874,6 +874,7 @@ pure subroutine kinetics_sl(Mp,T,ph,en, &
tau_eff !< effective resolved stress
integer :: i
associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
tau = [(math_tensordot(Mp,prm%P_sl(1:3,1:3,i)),i = 1, prm%sum_N_sl)]
@ -883,13 +884,13 @@ 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_sl/(kB*T)
v_wait_inverse = prm%v_0**(-1.0_pReal) * exp(BoltzmannRatio*(1.0_pReal-StressRatio_p)** prm%q)
Q_kB_T = prm%Q_sl/(kB*T)
v_wait_inverse = prm%v_0**(-1.0_pReal) * exp(Q_kB_T*(1.0_pReal-StressRatio_p)** prm%q)
v_run_inverse = prm%B/(tau_eff*prm%b_sl)
dot_gamma_sl = sign(stt%rho_mob(:,en)*prm%b_sl/(v_wait_inverse+v_run_inverse),tau)
dV_wait_inverse_dTau = -1.0_pReal * v_wait_inverse * prm%p * prm%q * BoltzmannRatio &
dV_wait_inverse_dTau = -1.0_pReal * v_wait_inverse * prm%p * prm%q * Q_kB_T &
* (stressRatio**(prm%p-1.0_pReal)) &
* (1.0_pReal-StressRatio_p)**(prm%q-1.0_pReal) &
/ prm%tau_0
@ -943,6 +944,7 @@ pure subroutine kinetics_tw(Mp,T,dot_gamma_sl,ph,en,&
integer :: i,s1,s2
associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
do i = 1, prm%sum_N_tw
@ -952,9 +954,9 @@ pure subroutine kinetics_tw(Mp,T,dot_gamma_sl,ph,en,&
s2=prm%fcc_twinNucleationSlipPair(2,i)
if (tau(i) < dst%tau_r_tw(i,en)) then ! ToDo: correct?
Ndot0=(abs(dot_gamma_sl(s1))*(stt%rho_mob(s2,en)+stt%rho_dip(s2,en))+&
abs(dot_gamma_sl(s2))*(stt%rho_mob(s1,en)+stt%rho_dip(s1,en)))/& ! ToDo: MD: it would be more consistent to use shearrates from state
abs(dot_gamma_sl(s2))*(stt%rho_mob(s1,en)+stt%rho_dip(s1,en)))/&
(prm%L_tw*prm%b_sl(i))*&
(1.0_pReal-exp(-prm%V_cs/(kB*T)*(dst%tau_r_tw(i,en)-tau(i)))) ! P_ncs
(1.0_pReal-exp(-prm%V_cs/(kB*T)*(dst%tau_r_tw(i,en)-tau(i))))
else
Ndot0=0.0_pReal
end if
@ -1009,8 +1011,9 @@ pure subroutine kinetics_tr(Mp,T,dot_gamma_sl,ph,en,&
Ndot0, &
stressRatio_s, &
ddot_gamma_dtau
integer :: i,s1,s2
associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
do i = 1, prm%sum_N_tr
@ -1020,9 +1023,9 @@ pure subroutine kinetics_tr(Mp,T,dot_gamma_sl,ph,en,&
s2=prm%fcc_twinNucleationSlipPair(2,i)
if (tau(i) < dst%tau_r_tr(i,en)) then ! ToDo: correct?
Ndot0=(abs(dot_gamma_sl(s1))*(stt%rho_mob(s2,en)+stt%rho_dip(s2,en))+&
abs(dot_gamma_sl(s2))*(stt%rho_mob(s1,en)+stt%rho_dip(s1,en)))/& ! ToDo: MD: it would be more consistent to use shearrates from state
abs(dot_gamma_sl(s2))*(stt%rho_mob(s1,en)+stt%rho_dip(s1,en)))/&
(prm%L_tr*prm%b_sl(i))*&
(1.0_pReal-exp(-prm%V_cs/(kB*T)*(dst%tau_r_tr(i,en)-tau(i)))) ! P_ncs
(1.0_pReal-exp(-prm%V_cs/(kB*T)*(dst%tau_r_tr(i,en)-tau(i))))
else
Ndot0=0.0_pReal
end if