simplified
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Martin Diehl
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90dabadf08
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7c18f3f276
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@ -48,7 +48,7 @@ module subroutine elastic_init(phases)
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prm%C_11 = polynomial(elastic%asDict(),'C_11','T')
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prm%C_12 = polynomial(elastic%asDict(),'C_12','T')
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prm%C_44 = polynomial(elastic%asDict(),'C_44','T')
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if (any(phase_lattice(ph) == ['hP','tI'])) then
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prm%C_13 = polynomial(elastic%asDict(),'C_13','T')
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prm%C_33 = polynomial(elastic%asDict(),'C_33','T')
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@ -26,15 +26,14 @@ submodule(phase:plastic) dislotwin
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v_sb = 1.0_pReal, & !< value for shearband velocity_0
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E_sb = 1.0_pReal, & !< activation energy for shear bands
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h = 1.0_pReal, & !< stack height of hex nucleus
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T_ref = T_ROOM, &
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gamma_char_tr = sqrt(0.125_pReal), & !< Characteristic shear for transformation
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a_cF = 1.0_pReal, &
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cOverA_hP = 1.0_pReal, &
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V_mol = 1.0_pReal, &
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rho = 1.0_pReal
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real(pReal), dimension(3) :: &
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Gamma_sf = 0.0_pReal, & !< stacking fault energy
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Delta_G = 0.0_pReal !< free energy difference between austensite and martensite
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type(tPolynomial) :: &
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Gamma_sf, & !< stacking fault energy
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Delta_G !< free energy difference between austensite and martensite
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real(pReal), allocatable, dimension(:) :: &
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b_sl, & !< absolute length of Burgers vector [m] for each slip system
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b_tw, & !< absolute length of Burgers vector [m] for each twin system
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@ -79,7 +78,7 @@ submodule(phase:plastic) dislotwin
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character(len=pStringLen), allocatable, dimension(:) :: &
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output
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logical :: &
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ExtendedDislocations, & !< consider split into partials for climb calculation
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extendedDislocations, & !< consider split into partials for climb calculation
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fccTwinTransNucleation, & !< twinning and transformation models are for fcc
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omitDipoles !< flag controlling consideration of dipole formation
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character(len=:), allocatable, dimension(:) :: &
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@ -210,7 +209,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
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prm%Q_cl = pl%get_asFloat('Q_cl')
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prm%ExtendedDislocations = pl%get_asBool('extend_dislocations',defaultVal = .false.)
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prm%extendedDislocations = pl%get_asBool('extend_dislocations',defaultVal = .false.)
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prm%omitDipoles = pl%get_asBool('omit_dipoles',defaultVal = .false.)
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! multiplication factor according to crystal structure (nearest neighbors bcc vs fcc/hex)
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@ -294,9 +293,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
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prm%b_tr = math_expand(prm%b_tr,prm%N_tr)
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prm%i_tr = pl%get_asFloat('i_tr')
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prm%Delta_G(1) = pl%get_asFloat('Delta_G')
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prm%Delta_G(2) = pl%get_asFloat('Delta_G,T', defaultVal=0.0_pReal)
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prm%Delta_G(3) = pl%get_asFloat('Delta_G,T^2',defaultVal=0.0_pReal)
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prm%Delta_G = polynomial(pl%asDict(),'Delta_G','T')
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prm%L_tr = pl%get_asFloat('L_tr')
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a_cF = pl%get_asFloat('a_cF')
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prm%h = 5.0_pReal * a_cF/sqrt(3.0_pReal)
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@ -353,12 +350,8 @@ module function plastic_dislotwin_init() result(myPlasticity)
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if (prm%V_cs < 0.0_pReal) extmsg = trim(extmsg)//' V_cs'
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end if
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if (prm%sum_N_tw + prm%sum_N_tr > 0 .or. prm%ExtendedDislocations) then
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prm%T_ref = pl%get_asFloat('T_ref')
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prm%Gamma_sf(1) = pl%get_asFloat('Gamma_sf')
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prm%Gamma_sf(2) = pl%get_asFloat('Gamma_sf,T',defaultVal=0.0_pReal)
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prm%Gamma_sf(3) = pl%get_asFloat('Gamma_sf,T^2',defaultVal=0.0_pReal)
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end if
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if (prm%sum_N_tw + prm%sum_N_tr > 0 .or. prm%extendedDislocations) &
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prm%Gamma_sf = polynomial(pl%asDict(),'Gamma_sf','T')
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slipAndTwinActive: if (prm%sum_N_sl * prm%sum_N_tw > 0) then
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prm%h_sl_tw = lattice_interaction_SlipByTwin(N_sl,prm%N_tw,pl%get_as1dFloat('h_sl-tw'), &
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@ -631,8 +624,8 @@ module subroutine dislotwin_dotState(Mp,T,ph,en)
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dot_gamma_tr
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real(pReal) :: &
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mu, &
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nu, &
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Gamma_sf
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nu
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associate(prm => param(ph), stt => state(ph), dot => dotState(ph), dst => dependentState(ph))
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@ -664,13 +657,12 @@ module subroutine dislotwin_dotState(Mp,T,ph,en)
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dot_rho_dip_climb(i) = 0.0_pReal
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else
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! Argon & Moffat, Acta Metallurgica, Vol. 29, pg 293 to 299, 1981
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Gamma_sf = prm%Gamma_sf(1) &
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+ prm%Gamma_sf(2) * (T-prm%T_ref) &
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+ prm%Gamma_sf(3) * (T-prm%T_ref)**2
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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 - nu)/(2.0_pReal + nu) * Gamma_sf / (mu*prm%b_sl(i)), &
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1.0_pReal, &
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prm%ExtendedDislocations)
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if (prm%extendedDislocations) then
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b_d = 24.0_pReal*PI*(1.0_pReal - nu)/(2.0_pReal + nu) * prm%Gamma_sf%at(T) / (mu*prm%b_sl(i))
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else
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b_d = 1.0_pReal
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end if
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v_cl = 2.0_pReal*prm%omega*b_d**2*exp(-prm%Q_cl/(K_B*T)) &
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* (exp(abs(sigma_cl)*prm%b_sl(i)**3/(K_B*T)) - 1.0_pReal)
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@ -719,8 +711,8 @@ module subroutine dislotwin_dependentState(ph,en)
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inv_lambda_tr_tr, & !< 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite
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f_over_t_tr
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real(pReal) :: &
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mu, &
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nu
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mu
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associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
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@ -926,9 +918,8 @@ pure subroutine kinetics_tw(Mp,T,dot_gamma_sl,ph,en,&
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mu = elastic_mu(ph,en)
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nu = elastic_nu(ph,en)
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Gamma_sf = prm%Gamma_sf(1) &
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+ prm%Gamma_sf(2) * (T-prm%T_ref) &
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+ prm%Gamma_sf(3) * (T-prm%T_ref)**2
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Gamma_sf = prm%Gamma_sf%at(T)
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tau_hat = 3.0_pReal*prm%b_tw(1)*mu/prm%L_tw &
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+ Gamma_sf/(3.0_pReal*prm%b_tw(1))
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x0 = mu*prm%b_sl(1)**2*(2.0_pReal+nu)/(Gamma_sf*8.0_pReal*PI*(1.0_pReal-nu))
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@ -991,7 +982,7 @@ pure subroutine kinetics_tr(Mp,T,dot_gamma_sl,ph,en,&
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tau, tau_r, tau_hat, &
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dot_N_0, &
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x0, V, &
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Gamma_sf, Delta_G, &
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Gamma_sf, &
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mu, nu, &
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P_ncs, dP_ncs_dtau, &
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P, dP_dtau
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@ -1004,14 +995,10 @@ pure subroutine kinetics_tr(Mp,T,dot_gamma_sl,ph,en,&
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mu = elastic_mu(ph,en)
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nu = elastic_nu(ph,en)
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Gamma_sf = prm%Gamma_sf(1) &
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+ prm%Gamma_sf(2) * (T-prm%T_ref) &
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+ prm%Gamma_sf(3) * (T-prm%T_ref)**2
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Delta_G = prm%Delta_G(1) &
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+ prm%Delta_G(2) * (T-prm%T_ref) &
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+ prm%Delta_G(3) * (T-prm%T_ref)**2
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Gamma_sf = prm%Gamma_sf%at(T)
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tau_hat = 3.0_pReal*prm%b_tr(1)*mu/prm%L_tr &
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+ (Gamma_sf + (prm%h/prm%V_mol - 2.0_pReal*prm%rho)*Delta_G)/(3.0_pReal*prm%b_tr(1))
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+ (Gamma_sf + (prm%h/prm%V_mol - 2.0_pReal*prm%rho)*prm%Delta_G%at(T))/(3.0_pReal*prm%b_tr(1))
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x0 = mu*prm%b_sl(1)**2*(2.0_pReal+nu)/(Gamma_sf*8.0_pReal*PI*(1.0_pReal-nu))
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tau_r = mu*prm%b_sl(1)/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%x_c)+cos(PI/3.0_pReal)/x0)
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