limit to TWINNING to fcc
This commit is contained in:
Martin Diehl
parent
8ceab5326f
commit
95fff5d6f7
|
|
@ -247,7 +247,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! twin related parameters
|
||||
prm%N_tw = pl%get_as1dInt('N_tw', defaultVal=emptyIntArray)
|
||||
prm%N_tw = pl%get_as1dInt('N_tw', defaultVal=emptyIntArray)
|
||||
prm%sum_N_tw = sum(abs(prm%N_tw))
|
||||
twinActive: if (prm%sum_N_tw > 0) then
|
||||
prm%systems_tw = lattice_labels_twin(prm%N_tw,phase_lattice(ph))
|
||||
|
|
@ -264,40 +264,33 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
|||
|
||||
prm%gamma_char= lattice_characteristicShear_Twin(prm%N_tw,phase_lattice(ph),phase_cOverA(ph))
|
||||
|
||||
if (.not. prm%fccTwinTransNucleation) then
|
||||
prm%dot_N_0_tw = pl%get_as1dFloat('dot_N_0_tw')
|
||||
prm%dot_N_0_tw = math_expand(prm%dot_N_0_tw,prm%N_tw)
|
||||
endif
|
||||
|
||||
! expand: family => system
|
||||
prm%b_tw = math_expand(prm%b_tw,prm%N_tw)
|
||||
prm%t_tw = math_expand(prm%t_tw,prm%N_tw)
|
||||
prm%r = math_expand(prm%r,prm%N_tw)
|
||||
|
||||
! sanity checks
|
||||
if (.not. prm%fccTwinTransNucleation) extmsg = trim(extmsg)//' TWIP for non-fcc'
|
||||
if ( prm%L_tw < 0.0_pReal) extmsg = trim(extmsg)//' L_tw'
|
||||
if ( prm%i_tw < 0.0_pReal) extmsg = trim(extmsg)//' i_tw'
|
||||
if (any(prm%b_tw < 0.0_pReal)) extmsg = trim(extmsg)//' b_tw'
|
||||
if (any(prm%t_tw < 0.0_pReal)) extmsg = trim(extmsg)//' t_tw'
|
||||
if (any(prm%r < 0.0_pReal)) extmsg = trim(extmsg)//' p_tw'
|
||||
if (.not. prm%fccTwinTransNucleation) then
|
||||
if (any(prm%dot_N_0_tw < 0.0_pReal)) extmsg = trim(extmsg)//' dot_N_0_tw'
|
||||
end if
|
||||
else twinActive
|
||||
allocate(prm%gamma_char,prm%b_tw,prm%dot_N_0_tw,prm%t_tw,prm%r,source=emptyRealArray)
|
||||
allocate(prm%gamma_char,prm%b_tw,prm%t_tw,prm%r,source=emptyRealArray)
|
||||
allocate(prm%h_tw_tw(0,0))
|
||||
end if twinActive
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! transformation related parameters
|
||||
prm%N_tr = pl%get_as1dInt('N_tr', defaultVal=emptyIntArray)
|
||||
prm%N_tr = pl%get_as1dInt('N_tr', defaultVal=emptyIntArray)
|
||||
prm%sum_N_tr = sum(abs(prm%N_tr))
|
||||
transActive: if (prm%sum_N_tr > 0) then
|
||||
prm%b_tr = pl%get_as1dFloat('b_tr')
|
||||
prm%b_tr = math_expand(prm%b_tr,prm%N_tr)
|
||||
|
||||
prm%h = pl%get_asFloat('h', defaultVal=0.0_pReal) ! ToDo: This is not optional!
|
||||
prm%i_tr = pl%get_asFloat('i_tr', defaultVal=0.0_pReal) ! ToDo: This is not optional!
|
||||
prm%h = pl%get_asFloat('h')
|
||||
prm%i_tr = pl%get_asFloat('i_tr')
|
||||
prm%Delta_G(1) = pl%get_asFloat('Delta_G')
|
||||
prm%Delta_G(2) = pl%get_asFloat('Delta_G,T', defaultVal=0.0_pReal)
|
||||
prm%Delta_G(3) = pl%get_asFloat('Delta_G,T^2',defaultVal=0.0_pReal)
|
||||
|
|
@ -317,10 +310,11 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
|||
|
||||
prm%t_tr = pl%get_as1dFloat('t_tr')
|
||||
prm%t_tr = math_expand(prm%t_tr,prm%N_tr)
|
||||
prm%s = pl%get_as1dFloat('p_tr',defaultVal=[0.0_pReal])
|
||||
prm%s = pl%get_as1dFloat('p_tr')
|
||||
prm%s = math_expand(prm%s,prm%N_tr)
|
||||
|
||||
! sanity checks
|
||||
if (.not. prm%fccTwinTransNucleation) extmsg = trim(extmsg)//' TRIP for non-fcc'
|
||||
if ( prm%L_tr < 0.0_pReal) extmsg = trim(extmsg)//' L_tr'
|
||||
if ( prm%i_tr < 0.0_pReal) extmsg = trim(extmsg)//' i_tr'
|
||||
if (any(prm%t_tr < 0.0_pReal)) extmsg = trim(extmsg)//' t_tr'
|
||||
|
|
@ -931,55 +925,39 @@ pure subroutine kinetics_tw(Mp,T,dot_gamma_sl,ph,en,&
|
|||
|
||||
associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
|
||||
|
||||
isFCC: if (prm%fccTwinTransNucleation) then
|
||||
mu = elastic_mu(ph,en)
|
||||
nu = elastic_nu(ph,en)
|
||||
Gamma_sf = prm%Gamma_sf(1) &
|
||||
+ prm%Gamma_sf(2) * (T-prm%T_ref) &
|
||||
+ 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))
|
||||
x0 = mu*prm%b_sl(1)**2*(2.0_pReal+nu)/(Gamma_sf*8.0_pReal*PI*(1.0_pReal-nu))
|
||||
tau_r = mu*prm%b_sl(1)/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%x_c)+cos(PI/3.0_pReal)/x0)
|
||||
|
||||
mu = elastic_mu(ph,en)
|
||||
nu = elastic_nu(ph,en)
|
||||
Gamma_sf = prm%Gamma_sf(1) &
|
||||
+ prm%Gamma_sf(2) * (T-prm%T_ref) &
|
||||
+ 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))
|
||||
x0 = mu*prm%b_sl(1)**2*(2.0_pReal+nu)/(Gamma_sf*8.0_pReal*PI*(1.0_pReal-nu))
|
||||
tau_r = mu*prm%b_sl(1)/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%x_c)+cos(PI/3.0_pReal)/x0)
|
||||
do i = 1, prm%sum_N_tw
|
||||
tau = math_tensordot(Mp,prm%P_tw(1:3,1:3,i))
|
||||
|
||||
do i = 1, prm%sum_N_tw
|
||||
tau = math_tensordot(Mp,prm%P_tw(1:3,1:3,i))
|
||||
if (tau > tol_math_check .and. tau < tau_r) then
|
||||
P = exp(-(tau_hat/tau)**prm%r(i))
|
||||
dP_dTau = prm%r(i) * (tau_hat/tau)**prm%r(i)/tau * P
|
||||
|
||||
if (tau > tol_math_check .and. tau < tau_r) then
|
||||
P = exp(-(tau_hat/tau)**prm%r(i))
|
||||
dP_dTau = prm%r(i) * (tau_hat/tau)**prm%r(i)/tau * P
|
||||
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))) &
|
||||
/ (prm%L_tw*prm%b_sl(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))) &
|
||||
/ (prm%L_tw*prm%b_sl(i))
|
||||
P_ncs = 1.0_pReal-exp(-prm%V_cs/(K_B*T)*(tau_r-tau))
|
||||
dP_ncs_dtau = prm%V_cs / (K_B * T) * (P_ncs - 1.0_pReal)
|
||||
|
||||
P_ncs = 1.0_pReal-exp(-prm%V_cs/(K_B*T)*(tau_r-tau))
|
||||
dP_ncs_dtau = prm%V_cs / (K_B * T) * (P_ncs - 1.0_pReal)
|
||||
|
||||
V = PI/4.0_pReal*dst%Lambda_tw(i,en)**2*prm%t_tw(i)
|
||||
dot_gamma_tw(i) = V*dot_N_0*P_ncs*P
|
||||
if (present(ddot_gamma_dtau_tw)) &
|
||||
ddot_gamma_dtau_tw(i) = V*dot_N_0*(P*dP_ncs_dtau + P_ncs*dP_dtau)
|
||||
else
|
||||
dot_gamma_tw(i) = 0.0_pReal
|
||||
if (present(ddot_gamma_dtau_tw)) ddot_gamma_dtau_tw(i) = 0.0_pReal
|
||||
end if
|
||||
end do
|
||||
|
||||
else isFCC
|
||||
do i = 1, prm%sum_N_tw
|
||||
error stop 'not implemented'
|
||||
tau = math_tensordot(Mp,prm%P_tw(1:3,1:3,i))
|
||||
if (tau > tol_math_check) then
|
||||
dot_gamma_tw(i) = 0.0_pReal
|
||||
if (present(ddot_gamma_dtau_tw)) ddot_gamma_dtau_tw(i) = 0.0_pReal
|
||||
else
|
||||
dot_gamma_tw(i) = 0.0_pReal
|
||||
if (present(ddot_gamma_dtau_tw)) ddot_gamma_dtau_tw(i) = 0.0_pReal
|
||||
end if
|
||||
end do
|
||||
end if isFCC
|
||||
V = PI/4.0_pReal*dst%Lambda_tw(i,en)**2*prm%t_tw(i)
|
||||
dot_gamma_tw(i) = V*dot_N_0*P_ncs*P
|
||||
if (present(ddot_gamma_dtau_tw)) &
|
||||
ddot_gamma_dtau_tw(i) = V*dot_N_0*(P*dP_ncs_dtau + P_ncs*dP_dtau)
|
||||
else
|
||||
dot_gamma_tw(i) = 0.0_pReal
|
||||
if (present(ddot_gamma_dtau_tw)) ddot_gamma_dtau_tw(i) = 0.0_pReal
|
||||
end if
|
||||
end do
|
||||
|
||||
end associate
|
||||
|
||||
|
|
|
|||
Loading…
Reference in New Issue