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simplified

This commit is contained in:
Martin Diehl 2022-02-11 08:30:24 +01:00
parent 90dabadf08
commit 7c18f3f276
2 changed files with 24 additions and 37 deletions
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2
src/phase_mechanical_elastic.f90
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@ -48,7 +48,7 @@ module subroutine elastic_init(phases)
prm%C_11 = polynomial(elastic%asDict(),'C_11','T') prm%C_11 = polynomial(elastic%asDict(),'C_11','T')
prm%C_12 = polynomial(elastic%asDict(),'C_12','T') prm%C_12 = polynomial(elastic%asDict(),'C_12','T')
prm%C_44 = polynomial(elastic%asDict(),'C_44','T') prm%C_44 = polynomial(elastic%asDict(),'C_44','T')
if (any(phase_lattice(ph) == ['hP','tI'])) then if (any(phase_lattice(ph) == ['hP','tI'])) then
prm%C_13 = polynomial(elastic%asDict(),'C_13','T') prm%C_13 = polynomial(elastic%asDict(),'C_13','T')
prm%C_33 = polynomial(elastic%asDict(),'C_33','T') prm%C_33 = polynomial(elastic%asDict(),'C_33','T')

59
src/phase_mechanical_plastic_dislotwin.f90
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@ -26,15 +26,14 @@ submodule(phase:plastic) dislotwin
v_sb = 1.0_pReal, & !< value for shearband velocity_0 v_sb = 1.0_pReal, & !< value for shearband velocity_0
E_sb = 1.0_pReal, & !< activation energy for shear bands E_sb = 1.0_pReal, & !< activation energy for shear bands
h = 1.0_pReal, & !< stack height of hex nucleus h = 1.0_pReal, & !< stack height of hex nucleus
T_ref = T_ROOM, &
gamma_char_tr = sqrt(0.125_pReal), & !< Characteristic shear for transformation gamma_char_tr = sqrt(0.125_pReal), & !< Characteristic shear for transformation
a_cF = 1.0_pReal, & a_cF = 1.0_pReal, &
cOverA_hP = 1.0_pReal, & cOverA_hP = 1.0_pReal, &
V_mol = 1.0_pReal, & V_mol = 1.0_pReal, &
rho = 1.0_pReal rho = 1.0_pReal
real(pReal), dimension(3) :: & type(tPolynomial) :: &
Gamma_sf = 0.0_pReal, & !< stacking fault energy Gamma_sf, & !< stacking fault energy
Delta_G = 0.0_pReal !< free energy difference between austensite and martensite Delta_G !< free energy difference between austensite and martensite
real(pReal), allocatable, dimension(:) :: & real(pReal), allocatable, dimension(:) :: &
b_sl, & !< absolute length of Burgers vector [m] for each slip system b_sl, & !< absolute length of Burgers vector [m] for each slip system
b_tw, & !< absolute length of Burgers vector [m] for each twin system b_tw, & !< absolute length of Burgers vector [m] for each twin system
@ -79,7 +78,7 @@ submodule(phase:plastic) dislotwin
character(len=pStringLen), allocatable, dimension(:) :: & character(len=pStringLen), allocatable, dimension(:) :: &
output output
logical :: & logical :: &
ExtendedDislocations, & !< consider split into partials for climb calculation extendedDislocations, & !< consider split into partials for climb calculation
fccTwinTransNucleation, & !< twinning and transformation models are for fcc fccTwinTransNucleation, & !< twinning and transformation models are for fcc
omitDipoles !< flag controlling consideration of dipole formation omitDipoles !< flag controlling consideration of dipole formation
character(len=:), allocatable, dimension(:) :: & character(len=:), allocatable, dimension(:) :: &
@ -210,7 +209,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
prm%Q_cl = pl%get_asFloat('Q_cl') prm%Q_cl = pl%get_asFloat('Q_cl')
prm%ExtendedDislocations = pl%get_asBool('extend_dislocations',defaultVal = .false.) prm%extendedDislocations = pl%get_asBool('extend_dislocations',defaultVal = .false.)
prm%omitDipoles = pl%get_asBool('omit_dipoles',defaultVal = .false.) prm%omitDipoles = pl%get_asBool('omit_dipoles',defaultVal = .false.)
! multiplication factor according to crystal structure (nearest neighbors bcc vs fcc/hex) ! multiplication factor according to crystal structure (nearest neighbors bcc vs fcc/hex)
@ -294,9 +293,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
prm%b_tr = math_expand(prm%b_tr,prm%N_tr) prm%b_tr = math_expand(prm%b_tr,prm%N_tr)
prm%i_tr = pl%get_asFloat('i_tr') prm%i_tr = pl%get_asFloat('i_tr')
prm%Delta_G(1) = pl%get_asFloat('Delta_G') prm%Delta_G = polynomial(pl%asDict(),'Delta_G','T')
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)
prm%L_tr = pl%get_asFloat('L_tr') prm%L_tr = pl%get_asFloat('L_tr')
a_cF = pl%get_asFloat('a_cF') a_cF = pl%get_asFloat('a_cF')
prm%h = 5.0_pReal * a_cF/sqrt(3.0_pReal) prm%h = 5.0_pReal * a_cF/sqrt(3.0_pReal)
@ -353,12 +350,8 @@ module function plastic_dislotwin_init() result(myPlasticity)
if (prm%V_cs < 0.0_pReal) extmsg = trim(extmsg)//' V_cs' if (prm%V_cs < 0.0_pReal) extmsg = trim(extmsg)//' V_cs'
end if end if
if (prm%sum_N_tw + prm%sum_N_tr > 0 .or. prm%ExtendedDislocations) then if (prm%sum_N_tw + prm%sum_N_tr > 0 .or. prm%extendedDislocations) &
prm%T_ref = pl%get_asFloat('T_ref') prm%Gamma_sf = polynomial(pl%asDict(),'Gamma_sf','T')
prm%Gamma_sf(1) = pl%get_asFloat('Gamma_sf')
prm%Gamma_sf(2) = pl%get_asFloat('Gamma_sf,T',defaultVal=0.0_pReal)
prm%Gamma_sf(3) = pl%get_asFloat('Gamma_sf,T^2',defaultVal=0.0_pReal)
end if
slipAndTwinActive: if (prm%sum_N_sl * prm%sum_N_tw > 0) then slipAndTwinActive: if (prm%sum_N_sl * prm%sum_N_tw > 0) then
prm%h_sl_tw = lattice_interaction_SlipByTwin(N_sl,prm%N_tw,pl%get_as1dFloat('h_sl-tw'), & prm%h_sl_tw = lattice_interaction_SlipByTwin(N_sl,prm%N_tw,pl%get_as1dFloat('h_sl-tw'), &
@ -631,8 +624,8 @@ module subroutine dislotwin_dotState(Mp,T,ph,en)
dot_gamma_tr dot_gamma_tr
real(pReal) :: & real(pReal) :: &
mu, & mu, &
nu, & nu
Gamma_sf
associate(prm => param(ph), stt => state(ph), dot => dotState(ph), dst => dependentState(ph)) associate(prm => param(ph), stt => state(ph), dot => dotState(ph), dst => dependentState(ph))
@ -664,13 +657,12 @@ module subroutine dislotwin_dotState(Mp,T,ph,en)
dot_rho_dip_climb(i) = 0.0_pReal dot_rho_dip_climb(i) = 0.0_pReal
else else
! Argon & Moffat, Acta Metallurgica, Vol. 29, pg 293 to 299, 1981 ! Argon & Moffat, Acta Metallurgica, Vol. 29, pg 293 to 299, 1981
Gamma_sf = prm%Gamma_sf(1) &
+ prm%Gamma_sf(2) * (T-prm%T_ref) &
+ prm%Gamma_sf(3) * (T-prm%T_ref)**2
sigma_cl = dot_product(prm%n0_sl(1:3,i),matmul(Mp,prm%n0_sl(1:3,i))) sigma_cl = dot_product(prm%n0_sl(1:3,i),matmul(Mp,prm%n0_sl(1:3,i)))
b_d = merge(24.0_pReal*PI*(1.0_pReal - nu)/(2.0_pReal + nu) * Gamma_sf / (mu*prm%b_sl(i)), & if (prm%extendedDislocations) then
1.0_pReal, & b_d = 24.0_pReal*PI*(1.0_pReal - nu)/(2.0_pReal + nu) * prm%Gamma_sf%at(T) / (mu*prm%b_sl(i))
prm%ExtendedDislocations) else
b_d = 1.0_pReal
end if
v_cl = 2.0_pReal*prm%omega*b_d**2*exp(-prm%Q_cl/(K_B*T)) & v_cl = 2.0_pReal*prm%omega*b_d**2*exp(-prm%Q_cl/(K_B*T)) &
* (exp(abs(sigma_cl)*prm%b_sl(i)**3/(K_B*T)) - 1.0_pReal) * (exp(abs(sigma_cl)*prm%b_sl(i)**3/(K_B*T)) - 1.0_pReal)
@ -719,8 +711,8 @@ module subroutine dislotwin_dependentState(ph,en)
inv_lambda_tr_tr, & !< 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite inv_lambda_tr_tr, & !< 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite
f_over_t_tr f_over_t_tr
real(pReal) :: & real(pReal) :: &
mu, & mu
nu
associate(prm => param(ph), stt => state(ph), dst => dependentState(ph)) associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
@ -926,9 +918,8 @@ pure subroutine kinetics_tw(Mp,T,dot_gamma_sl,ph,en,&
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%at(T)
+ 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 & tau_hat = 3.0_pReal*prm%b_tw(1)*mu/prm%L_tw &
+ Gamma_sf/(3.0_pReal*prm%b_tw(1)) + 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)) x0 = mu*prm%b_sl(1)**2*(2.0_pReal+nu)/(Gamma_sf*8.0_pReal*PI*(1.0_pReal-nu))
@ -991,7 +982,7 @@ pure subroutine kinetics_tr(Mp,T,dot_gamma_sl,ph,en,&
tau, tau_r, tau_hat, & tau, tau_r, tau_hat, &
dot_N_0, & dot_N_0, &
x0, V, & x0, V, &
Gamma_sf, Delta_G, & Gamma_sf, &
mu, nu, & mu, nu, &
P_ncs, dP_ncs_dtau, & P_ncs, dP_ncs_dtau, &
P, dP_dtau P, dP_dtau
@ -1004,14 +995,10 @@ pure subroutine kinetics_tr(Mp,T,dot_gamma_sl,ph,en,&
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%at(T)
+ 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
tau_hat = 3.0_pReal*prm%b_tr(1)*mu/prm%L_tr & tau_hat = 3.0_pReal*prm%b_tr(1)*mu/prm%L_tr &
+ (Gamma_sf + (prm%h/prm%V_mol - 2.0_pReal*prm%rho)*Delta_G)/(3.0_pReal*prm%b_tr(1)) + (Gamma_sf + (prm%h/prm%V_mol - 2.0_pReal*prm%rho)*prm%Delta_G%at(T))/(3.0_pReal*prm%b_tr(1))
x0 = mu*prm%b_sl(1)**2*(2.0_pReal+nu)/(Gamma_sf*8.0_pReal*PI*(1.0_pReal-nu)) 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) tau_r = mu*prm%b_sl(1)/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%x_c)+cos(PI/3.0_pReal)/x0)