avoid global states

This commit is contained in:
Martin Diehl 2022-01-26 22:21:34 +01:00
parent 5267794ff2
commit 60e6e90874
1 changed files with 18 additions and 35 deletions

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