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
parent
527fd306e2
commit
d4ffc778c2
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@ -517,7 +517,7 @@ module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,ph,en)
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integer :: i,k,l,m,n
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integer :: i,k,l,m,n
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real(pReal) :: &
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real(pReal) :: &
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f_unrotated,StressRatio_p,&
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f_unrotated,StressRatio_p,&
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BoltzmannRatio, &
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E_kB_T, &
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ddot_gamma_dtau, &
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ddot_gamma_dtau, &
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tau
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tau
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real(pReal), dimension(param(ph)%sum_N_sl) :: &
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real(pReal), dimension(param(ph)%sum_N_sl) :: &
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@ -587,7 +587,7 @@ module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,ph,en)
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shearBandingContribution: if(dNeq0(prm%v_sb)) then
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shearBandingContribution: if(dNeq0(prm%v_sb)) then
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BoltzmannRatio = prm%E_sb/(kB*T)
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E_kB_T = prm%E_sb/(kB*T)
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call math_eigh33(eigValues,eigVectors,Mp) ! is Mp symmetric by design?
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call math_eigh33(eigValues,eigVectors,Mp) ! is Mp symmetric by design?
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do i = 1,6
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do i = 1,6
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@ -597,8 +597,8 @@ module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,ph,en)
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significantShearBandStress: if (abs(tau) > tol_math_check) then
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significantShearBandStress: if (abs(tau) > tol_math_check) then
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StressRatio_p = (abs(tau)/prm%xi_sb)**prm%p_sb
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StressRatio_p = (abs(tau)/prm%xi_sb)**prm%p_sb
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dot_gamma_sb = sign(prm%v_sb*exp(-BoltzmannRatio*(1-StressRatio_p)**prm%q_sb), tau)
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dot_gamma_sb = sign(prm%v_sb*exp(-E_kB_T*(1-StressRatio_p)**prm%q_sb), tau)
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ddot_gamma_dtau = abs(dot_gamma_sb)*BoltzmannRatio* prm%p_sb*prm%q_sb/ prm%xi_sb &
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ddot_gamma_dtau = abs(dot_gamma_sb)*E_kB_T*prm%p_sb*prm%q_sb/prm%xi_sb &
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* (abs(tau)/prm%xi_sb)**(prm%p_sb-1.0_pReal) &
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* (abs(tau)/prm%xi_sb)**(prm%p_sb-1.0_pReal) &
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* (1.0_pReal-StressRatio_p)**(prm%q_sb-1.0_pReal)
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* (1.0_pReal-StressRatio_p)**(prm%q_sb-1.0_pReal)
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@ -649,58 +649,58 @@ module subroutine dislotwin_dotState(Mp,T,ph,en)
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associate(prm => param(ph), stt => state(ph), dot => dotState(ph), dst => dependentState(ph))
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associate(prm => param(ph), stt => state(ph), dot => dotState(ph), dst => dependentState(ph))
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f_unrotated = 1.0_pReal &
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f_unrotated = 1.0_pReal &
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- sum(stt%f_tw(1:prm%sum_N_tw,en)) &
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- sum(stt%f_tw(1:prm%sum_N_tw,en)) &
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- sum(stt%f_tr(1:prm%sum_N_tr,en))
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- sum(stt%f_tr(1:prm%sum_N_tr,en))
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call kinetics_sl(Mp,T,ph,en,dot_gamma_sl)
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call kinetics_sl(Mp,T,ph,en,dot_gamma_sl)
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dot%gamma_sl(:,en) = abs(dot_gamma_sl)
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dot%gamma_sl(:,en) = abs(dot_gamma_sl)
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slipState: do i = 1, prm%sum_N_sl
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slipState: do i = 1, prm%sum_N_sl
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tau = math_tensordot(Mp,prm%P_sl(1:3,1:3,i))
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tau = math_tensordot(Mp,prm%P_sl(1:3,1:3,i))
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significantSlipStress: if (dEq0(tau) .or. prm%omitDipoles) then
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significantSlipStress: if (dEq0(tau) .or. prm%omitDipoles) then
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dot_rho_dip_formation(i) = 0.0_pReal
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dot_rho_dip_formation(i) = 0.0_pReal
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dot_rho_dip_climb(i) = 0.0_pReal
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else significantSlipStress
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d_hat = 3.0_pReal*prm%mu*prm%b_sl(i)/(16.0_pReal*PI*abs(tau))
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d_hat = math_clip(d_hat, right = dst%Lambda_sl(i,en))
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d_hat = math_clip(d_hat, left = prm%d_caron(i))
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dot_rho_dip_formation(i) = 2.0_pReal*(d_hat-prm%d_caron(i))/prm%b_sl(i) &
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* stt%rho_mob(i,en)*abs(dot_gamma_sl(i))
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if (dEq(d_hat,prm%d_caron(i))) then
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dot_rho_dip_climb(i) = 0.0_pReal
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dot_rho_dip_climb(i) = 0.0_pReal
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else
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else significantSlipStress
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! Argon & Moffat, Acta Metallurgica, Vol. 29, pg 293 to 299, 1981
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d_hat = 3.0_pReal*prm%mu*prm%b_sl(i)/(16.0_pReal*PI*abs(tau))
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sigma_cl = dot_product(prm%n0_sl(1:3,i),matmul(Mp,prm%n0_sl(1:3,i)))
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d_hat = math_clip(d_hat, right = dst%Lambda_sl(i,en))
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b_d = merge(24.0_pReal*PI*(1.0_pReal - prm%nu)/(2.0_pReal + prm%nu) &
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d_hat = math_clip(d_hat, left = prm%d_caron(i))
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* (prm%Gamma_sf(1) + prm%Gamma_sf(2) * T) / (prm%mu*prm%b_sl(i)), &
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1.0_pReal, &
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prm%ExtendedDislocations)
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v_cl = 2.0_pReal*prm%omega*b_d**2.0_pReal*exp(-prm%Q_cl/(kB*T)) &
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* (exp(abs(sigma_cl)*prm%b_sl(i)**3.0_pReal/(kB*T)) - 1.0_pReal)
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dot_rho_dip_climb(i) = 4.0_pReal*v_cl*stt%rho_dip(i,en) &
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dot_rho_dip_formation(i) = 2.0_pReal*(d_hat-prm%d_caron(i))/prm%b_sl(i) &
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/ (d_hat-prm%d_caron(i))
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* stt%rho_mob(i,en)*abs(dot_gamma_sl(i))
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endif
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endif significantSlipStress
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enddo slipState
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dot%rho_mob(:,en) = abs(dot_gamma_sl)/(prm%b_sl*dst%Lambda_sl(:,en)) &
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if (dEq(d_hat,prm%d_caron(i))) then
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- dot_rho_dip_formation &
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dot_rho_dip_climb(i) = 0.0_pReal
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- 2.0_pReal*prm%d_caron/prm%b_sl * stt%rho_mob(:,en)*abs(dot_gamma_sl)
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else
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! Argon & Moffat, Acta Metallurgica, Vol. 29, pg 293 to 299, 1981
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sigma_cl = dot_product(prm%n0_sl(1:3,i),matmul(Mp,prm%n0_sl(1:3,i)))
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b_d = merge(24.0_pReal*PI*(1.0_pReal - prm%nu)/(2.0_pReal + prm%nu) &
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* (prm%Gamma_sf(1) + prm%Gamma_sf(2) * T) / (prm%mu*prm%b_sl(i)), &
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1.0_pReal, &
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prm%ExtendedDislocations)
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v_cl = 2.0_pReal*prm%omega*b_d**2.0_pReal*exp(-prm%Q_cl/(kB*T)) &
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* (exp(abs(sigma_cl)*prm%b_sl(i)**3.0_pReal/(kB*T)) - 1.0_pReal)
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dot%rho_dip(:,en) = dot_rho_dip_formation &
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dot_rho_dip_climb(i) = 4.0_pReal*v_cl*stt%rho_dip(i,en) &
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- 2.0_pReal*prm%d_caron/prm%b_sl * stt%rho_dip(:,en)*abs(dot_gamma_sl) &
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/ (d_hat-prm%d_caron(i))
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- dot_rho_dip_climb
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endif
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endif significantSlipStress
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enddo slipState
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call kinetics_tw(Mp,T,dot_gamma_sl,ph,en,dot_gamma_tw)
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dot%rho_mob(:,en) = abs(dot_gamma_sl)/(prm%b_sl*dst%Lambda_sl(:,en)) &
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dot%f_tw(:,en) = f_unrotated*dot_gamma_tw/prm%gamma_char
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- dot_rho_dip_formation &
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- 2.0_pReal*prm%d_caron/prm%b_sl * stt%rho_mob(:,en)*abs(dot_gamma_sl)
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call kinetics_tr(Mp,T,dot_gamma_sl,ph,en,dot_gamma_tr)
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dot%rho_dip(:,en) = dot_rho_dip_formation &
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dot%f_tr(:,en) = f_unrotated*dot_gamma_tr
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- 2.0_pReal*prm%d_caron/prm%b_sl * stt%rho_dip(:,en)*abs(dot_gamma_sl) &
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- dot_rho_dip_climb
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call kinetics_tw(Mp,T,dot_gamma_sl,ph,en,dot_gamma_tw)
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dot%f_tw(:,en) = f_unrotated*dot_gamma_tw/prm%gamma_char
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call kinetics_tr(Mp,T,dot_gamma_sl,ph,en,dot_gamma_tr)
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dot%f_tr(:,en) = f_unrotated*dot_gamma_tr
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end associate
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end associate
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@ -865,7 +865,7 @@ pure subroutine kinetics_sl(Mp,T,ph,en, &
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tau, &
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tau, &
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stressRatio, &
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stressRatio, &
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StressRatio_p, &
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StressRatio_p, &
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BoltzmannRatio, &
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Q_kB_T, &
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v_wait_inverse, & !< inverse of the effective velocity of a dislocation waiting at obstacles (unsigned)
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v_wait_inverse, & !< inverse of the effective velocity of a dislocation waiting at obstacles (unsigned)
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v_run_inverse, & !< inverse of the velocity of a free moving dislocation (unsigned)
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v_run_inverse, & !< inverse of the velocity of a free moving dislocation (unsigned)
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dV_wait_inverse_dTau, &
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dV_wait_inverse_dTau, &
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@ -874,33 +874,34 @@ pure subroutine kinetics_sl(Mp,T,ph,en, &
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tau_eff !< effective resolved stress
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tau_eff !< effective resolved stress
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integer :: i
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integer :: i
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associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
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associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
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tau = [(math_tensordot(Mp,prm%P_sl(1:3,1:3,i)),i = 1, prm%sum_N_sl)]
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tau = [(math_tensordot(Mp,prm%P_sl(1:3,1:3,i)),i = 1, prm%sum_N_sl)]
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tau_eff = abs(tau)-dst%tau_pass(:,en)
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tau_eff = abs(tau)-dst%tau_pass(:,en)
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significantStress: where(tau_eff > tol_math_check)
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significantStress: where(tau_eff > tol_math_check)
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stressRatio = tau_eff/prm%tau_0
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stressRatio = tau_eff/prm%tau_0
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StressRatio_p = stressRatio** prm%p
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StressRatio_p = stressRatio** prm%p
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BoltzmannRatio = prm%Q_sl/(kB*T)
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Q_kB_T = prm%Q_sl/(kB*T)
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v_wait_inverse = prm%v_0**(-1.0_pReal) * exp(BoltzmannRatio*(1.0_pReal-StressRatio_p)** prm%q)
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v_wait_inverse = prm%v_0**(-1.0_pReal) * exp(Q_kB_T*(1.0_pReal-StressRatio_p)** prm%q)
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v_run_inverse = prm%B/(tau_eff*prm%b_sl)
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v_run_inverse = prm%B/(tau_eff*prm%b_sl)
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dot_gamma_sl = sign(stt%rho_mob(:,en)*prm%b_sl/(v_wait_inverse+v_run_inverse),tau)
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dot_gamma_sl = sign(stt%rho_mob(:,en)*prm%b_sl/(v_wait_inverse+v_run_inverse),tau)
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dV_wait_inverse_dTau = -1.0_pReal * v_wait_inverse * prm%p * prm%q * BoltzmannRatio &
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dV_wait_inverse_dTau = -1.0_pReal * v_wait_inverse * prm%p * prm%q * Q_kB_T &
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* (stressRatio**(prm%p-1.0_pReal)) &
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* (stressRatio**(prm%p-1.0_pReal)) &
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* (1.0_pReal-StressRatio_p)**(prm%q-1.0_pReal) &
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* (1.0_pReal-StressRatio_p)**(prm%q-1.0_pReal) &
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/ prm%tau_0
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/ prm%tau_0
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dV_run_inverse_dTau = -1.0_pReal * v_run_inverse/tau_eff
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dV_run_inverse_dTau = -1.0_pReal * v_run_inverse/tau_eff
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dV_dTau = -1.0_pReal * (dV_wait_inverse_dTau+dV_run_inverse_dTau) &
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dV_dTau = -1.0_pReal * (dV_wait_inverse_dTau+dV_run_inverse_dTau) &
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/ (v_wait_inverse+v_run_inverse)**2.0_pReal
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/ (v_wait_inverse+v_run_inverse)**2.0_pReal
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ddot_gamma_dtau = dV_dTau*stt%rho_mob(:,en)*prm%b_sl
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ddot_gamma_dtau = dV_dTau*stt%rho_mob(:,en)*prm%b_sl
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else where significantStress
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else where significantStress
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dot_gamma_sl = 0.0_pReal
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dot_gamma_sl = 0.0_pReal
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ddot_gamma_dtau = 0.0_pReal
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ddot_gamma_dtau = 0.0_pReal
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end where significantStress
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end where significantStress
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end associate
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end associate
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@ -943,34 +944,35 @@ pure subroutine kinetics_tw(Mp,T,dot_gamma_sl,ph,en,&
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integer :: i,s1,s2
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integer :: i,s1,s2
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associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
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associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
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do i = 1, prm%sum_N_tw
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do i = 1, prm%sum_N_tw
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tau(i) = math_tensordot(Mp,prm%P_tw(1:3,1:3,i))
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tau(i) = math_tensordot(Mp,prm%P_tw(1:3,1:3,i))
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isFCC: if (prm%fccTwinTransNucleation) then
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isFCC: if (prm%fccTwinTransNucleation) then
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s1=prm%fcc_twinNucleationSlipPair(1,i)
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s1=prm%fcc_twinNucleationSlipPair(1,i)
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s2=prm%fcc_twinNucleationSlipPair(2,i)
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s2=prm%fcc_twinNucleationSlipPair(2,i)
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if (tau(i) < dst%tau_r_tw(i,en)) then ! ToDo: correct?
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if (tau(i) < dst%tau_r_tw(i,en)) then ! ToDo: correct?
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Ndot0=(abs(dot_gamma_sl(s1))*(stt%rho_mob(s2,en)+stt%rho_dip(s2,en))+&
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Ndot0=(abs(dot_gamma_sl(s1))*(stt%rho_mob(s2,en)+stt%rho_dip(s2,en))+&
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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
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abs(dot_gamma_sl(s2))*(stt%rho_mob(s1,en)+stt%rho_dip(s1,en)))/&
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(prm%L_tw*prm%b_sl(i))*&
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(prm%L_tw*prm%b_sl(i))*&
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(1.0_pReal-exp(-prm%V_cs/(kB*T)*(dst%tau_r_tw(i,en)-tau(i)))) ! P_ncs
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(1.0_pReal-exp(-prm%V_cs/(kB*T)*(dst%tau_r_tw(i,en)-tau(i))))
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else
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else
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Ndot0=0.0_pReal
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Ndot0=0.0_pReal
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end if
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end if
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else isFCC
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else isFCC
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Ndot0=prm%dot_N_0_tw(i)
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Ndot0=prm%dot_N_0_tw(i)
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endif isFCC
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endif isFCC
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enddo
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enddo
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significantStress: where(tau > tol_math_check)
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significantStress: where(tau > tol_math_check)
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StressRatio_r = (dst%tau_hat_tw(:,en)/tau)**prm%r
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StressRatio_r = (dst%tau_hat_tw(:,en)/tau)**prm%r
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dot_gamma_tw = prm%gamma_char * dst%V_tw(:,en) * Ndot0*exp(-StressRatio_r)
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dot_gamma_tw = prm%gamma_char * dst%V_tw(:,en) * Ndot0*exp(-StressRatio_r)
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ddot_gamma_dtau = (dot_gamma_tw*prm%r/tau)*StressRatio_r
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ddot_gamma_dtau = (dot_gamma_tw*prm%r/tau)*StressRatio_r
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else where significantStress
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else where significantStress
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dot_gamma_tw = 0.0_pReal
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dot_gamma_tw = 0.0_pReal
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ddot_gamma_dtau = 0.0_pReal
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ddot_gamma_dtau = 0.0_pReal
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end where significantStress
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end where significantStress
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end associate
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end associate
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@ -1009,36 +1011,37 @@ pure subroutine kinetics_tr(Mp,T,dot_gamma_sl,ph,en,&
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Ndot0, &
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Ndot0, &
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stressRatio_s, &
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stressRatio_s, &
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ddot_gamma_dtau
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ddot_gamma_dtau
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integer :: i,s1,s2
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integer :: i,s1,s2
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associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
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associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
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do i = 1, prm%sum_N_tr
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do i = 1, prm%sum_N_tr
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tau(i) = math_tensordot(Mp,prm%P_tr(1:3,1:3,i))
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tau(i) = math_tensordot(Mp,prm%P_tr(1:3,1:3,i))
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isFCC: if (prm%fccTwinTransNucleation) then
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isFCC: if (prm%fccTwinTransNucleation) then
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s1=prm%fcc_twinNucleationSlipPair(1,i)
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s1=prm%fcc_twinNucleationSlipPair(1,i)
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s2=prm%fcc_twinNucleationSlipPair(2,i)
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s2=prm%fcc_twinNucleationSlipPair(2,i)
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||||||
if (tau(i) < dst%tau_r_tr(i,en)) then ! ToDo: correct?
|
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))+&
|
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))*&
|
(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
|
else
|
||||||
Ndot0=0.0_pReal
|
Ndot0=0.0_pReal
|
||||||
end if
|
end if
|
||||||
else isFCC
|
else isFCC
|
||||||
Ndot0=prm%dot_N_0_tr(i)
|
Ndot0=prm%dot_N_0_tr(i)
|
||||||
endif isFCC
|
endif isFCC
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
significantStress: where(tau > tol_math_check)
|
significantStress: where(tau > tol_math_check)
|
||||||
StressRatio_s = (dst%tau_hat_tr(:,en)/tau)**prm%s
|
StressRatio_s = (dst%tau_hat_tr(:,en)/tau)**prm%s
|
||||||
dot_gamma_tr = dst%V_tr(:,en) * Ndot0*exp(-StressRatio_s)
|
dot_gamma_tr = dst%V_tr(:,en) * Ndot0*exp(-StressRatio_s)
|
||||||
ddot_gamma_dtau = (dot_gamma_tr*prm%s/tau)*StressRatio_s
|
ddot_gamma_dtau = (dot_gamma_tr*prm%s/tau)*StressRatio_s
|
||||||
else where significantStress
|
else where significantStress
|
||||||
dot_gamma_tr = 0.0_pReal
|
dot_gamma_tr = 0.0_pReal
|
||||||
ddot_gamma_dtau = 0.0_pReal
|
ddot_gamma_dtau = 0.0_pReal
|
||||||
end where significantStress
|
end where significantStress
|
||||||
|
|
||||||
end associate
|
end associate
|
||||||
|
|
||||||
|
|
|
||||||
Loading…
Reference in New Issue