Merge remote-tracking branch 'origin/T_ref300' into dynamic-C
This commit is contained in:
Sharan Roongta
commit
90f967cc86
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@ -5,7 +5,6 @@ import colorsys
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from pathlib import Path
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from typing import Sequence, Union, TextIO
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import numpy as np
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import matplotlib as mpl
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if os.name == 'posix' and 'DISPLAY' not in os.environ:
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@ -17,9 +16,9 @@ from PIL import Image
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from . import util
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from . import Table
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_eps = 216./24389.
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_kappa = 24389./27.
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_ref_white = np.array([.95047, 1.00000, 1.08883]) # Observer = 2, Illuminant = D65
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_EPS = 216./24389.
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_KAPPA = 24389./27.
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_REF_WHITE = np.array([.95047, 1.00000, 1.08883]) # Observer = 2, Illuminant = D65
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# ToDo (if needed)
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# - support alpha channel (paraview/ASCII/input)
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@ -522,10 +521,10 @@ class Colormap(mpl.colors.ListedColormap):
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f_z = (lab[0]+16.)/116. - lab[2]/200.
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return np.array([
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f_x**3. if f_x**3. > _eps else (116.*f_x-16.)/_kappa,
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((lab[0]+16.)/116.)**3 if lab[0]>_kappa*_eps else lab[0]/_kappa,
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f_z**3. if f_z**3. > _eps else (116.*f_z-16.)/_kappa
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])*(ref_white if ref_white is not None else _ref_white)
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f_x**3. if f_x**3. > _EPS else (116.*f_x-16.)/_KAPPA,
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((lab[0]+16.)/116.)**3 if lab[0]>_KAPPA*_EPS else lab[0]/_KAPPA,
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f_z**3. if f_z**3. > _EPS else (116.*f_z-16.)/_KAPPA
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])*(ref_white if ref_white is not None else _REF_WHITE)
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@staticmethod
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def _xyz2lab(xyz: np.ndarray, ref_white: np.ndarray = None) -> np.ndarray:
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@ -537,8 +536,8 @@ class Colormap(mpl.colors.ListedColormap):
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http://www.brucelindbloom.com/index.html?Eqn_Lab_to_XYZ.html
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"""
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ref_white = ref_white if ref_white is not None else _ref_white
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f = np.where(xyz/ref_white > _eps,(xyz/ref_white)**(1./3.),(_kappa*xyz/ref_white+16.)/116.)
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ref_white = ref_white if ref_white is not None else _REF_WHITE
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f = np.where(xyz/ref_white > _EPS,(xyz/ref_white)**(1./3.),(_KAPPA*xyz/ref_white+16.)/116.)
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return np.array([
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116.0 * f[1] - 16.0,
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@ -10,6 +10,6 @@ module constants
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real(pReal), parameter :: &
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T_ROOM = 300.0_pReal, & !< Room temperature in K
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kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin
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K_B = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin
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end module constants
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@ -341,7 +341,7 @@ module subroutine dislotungsten_dotState(Mp,T,ph,en)
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dot_rho_dip_formation = merge(2.0_pReal*(d_hat-prm%d_caron)*stt%rho_mob(:,en)*dot%gamma_sl(:,en)/prm%b_sl, &
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0.0_pReal, &
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prm%dipoleformation)
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v_cl = (3.0_pReal*mu*prm%D_0*exp(-prm%Q_cl/(kB*T))*prm%f_at/(2.0_pReal*PI*kB*T)) &
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v_cl = (3.0_pReal*mu*prm%D_0*exp(-prm%Q_cl/(K_B*T))*prm%f_at/(2.0_pReal*PI*K_B*T)) &
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* (1.0_pReal/(d_hat+prm%d_caron))
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dot_rho_dip_climb = (4.0_pReal*v_cl*stt%rho_dip(:,en))/(d_hat-prm%d_caron) ! ToDo: Discuss with Franz: Stress dependency?
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end where
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@ -472,7 +472,7 @@ pure subroutine kinetics(Mp,T,ph,en, &
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if (present(tau_pos_out)) tau_pos_out = tau_pos
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if (present(tau_neg_out)) tau_neg_out = tau_neg
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associate(BoltzmannRatio => prm%Q_s/(kB*T), &
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associate(BoltzmannRatio => prm%Q_s/(K_B*T), &
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b_rho_half => stt%rho_mob(:,en) * prm%b_sl * 0.5_pReal, &
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effectiveLength => dst%Lambda_sl(:,en) - prm%w)
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@ -594,7 +594,7 @@ 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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E_kB_T = prm%E_sb/(kB*T)
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E_kB_T = prm%E_sb/(K_B*T)
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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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@ -691,8 +691,8 @@ module subroutine dislotwin_dotState(Mp,T,ph,en)
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* (prm%Gamma_sf(1) + prm%Gamma_sf(2) * T) / (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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v_cl = 2.0_pReal*prm%omega*b_d**2.0_pReal*exp(-prm%Q_cl/(K_B*T)) &
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* (exp(abs(sigma_cl)*prm%b_sl(i)**3.0_pReal/(K_B*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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/ (d_hat-prm%d_caron(i))
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@ -904,7 +904,7 @@ pure subroutine kinetics_sl(Mp,T,ph,en, &
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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_p = stressRatio** prm%p
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Q_kB_T = prm%Q_sl/(kB*T)
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Q_kB_T = prm%Q_sl/(K_B*T)
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v_wait_inverse = exp(Q_kB_T*(1.0_pReal-StressRatio_p)** prm%q) &
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/ prm%v_0
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v_run_inverse = prm%B/(tau_eff*prm%b_sl)
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@ -977,7 +977,7 @@ pure subroutine kinetics_tw(Mp,T,dot_gamma_sl,ph,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)))/&
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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))))
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(1.0_pReal-exp(-prm%V_cs/(K_B*T)*(dst%tau_r_tw(i,en)-tau(i))))
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else
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Ndot0=0.0_pReal
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end if
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@ -1046,7 +1046,7 @@ pure subroutine kinetics_tr(Mp,T,dot_gamma_sl,ph,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)))/&
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(prm%L_tr*prm%b_sl(i))*&
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(1.0_pReal-exp(-prm%V_cs/(kB*T)*(dst%tau_r_tr(i,en)-tau(i))))
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(1.0_pReal-exp(-prm%V_cs/(K_B*T)*(dst%tau_r_tr(i,en)-tau(i))))
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else
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Ndot0=0.0_pReal
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end if
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@ -1091,9 +1091,9 @@ module subroutine nonlocal_dotState(Mp, Temperature,timestep, &
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! thermally activated annihilation of edge dipoles by climb
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rhoDotThermalAnnihilation = 0.0_pReal
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D_SD = prm%D_0 * exp(-prm%Q_cl / (kB * Temperature)) ! eq. 3.53
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D_SD = prm%D_0 * exp(-prm%Q_cl / (K_B * Temperature)) ! eq. 3.53
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v_climb = D_SD * mu * prm%V_at &
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/ (PI * (1.0_pReal-nu) * (dUpper(:,1) + dLower(:,1)) * kB * Temperature) ! eq. 3.54
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/ (PI * (1.0_pReal-nu) * (dUpper(:,1) + dLower(:,1)) * K_B * Temperature) ! eq. 3.54
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forall (s = 1:prm%sum_N_sl, dUpper(s,1) > dLower(s,1)) &
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rhoDotThermalAnnihilation(s,9) = max(- 4.0_pReal * rhoDip(s,1) * v_climb(s) / (dUpper(s,1) - dLower(s,1)), &
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- rhoDip(s,1) / timestep - rhoDotAthermalAnnihilation(s,9) &
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@ -1668,9 +1668,9 @@ pure subroutine kinetics(v, dv_dtau, dv_dtauNS, tau, tauNS, tauThreshold, c, T,
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activationEnergy_P = criticalStress_P * activationVolume_P
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tauRel_P = min(1.0_pReal, tauEff / criticalStress_P)
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tPeierls = 1.0_pReal / prm%nu_a &
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* exp(activationEnergy_P / (kB * T) &
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* exp(activationEnergy_P / (K_B * T) &
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* (1.0_pReal - tauRel_P**prm%p)**prm%q)
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dtPeierls_dtau = merge(tPeierls * prm%p * prm%q * activationVolume_P / (kB * T) &
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dtPeierls_dtau = merge(tPeierls * prm%p * prm%q * activationVolume_P / (K_B * T) &
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* (1.0_pReal - tauRel_P**prm%p)**(prm%q-1.0_pReal) * tauRel_P**(prm%p-1.0_pReal), &
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0.0_pReal, &
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tauEff < criticalStress_P)
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@ -1682,8 +1682,8 @@ pure subroutine kinetics(v, dv_dtau, dv_dtauNS, tau, tauNS, tauThreshold, c, T,
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criticalStress_S = prm%Q_sol / activationVolume_S
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tauRel_S = min(1.0_pReal, tauEff / criticalStress_S)
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tSolidSolution = 1.0_pReal / prm%nu_a &
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* exp(prm%Q_sol / (kB * T)* (1.0_pReal - tauRel_S**prm%p)**prm%q)
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dtSolidSolution_dtau = merge(tSolidSolution * prm%p * prm%q * activationVolume_S / (kB * T) &
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* exp(prm%Q_sol / (K_B * T)* (1.0_pReal - tauRel_S**prm%p)**prm%q)
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dtSolidSolution_dtau = merge(tSolidSolution * prm%p * prm%q * activationVolume_S / (K_B * T) &
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* (1.0_pReal - tauRel_S**prm%p)**(prm%q-1.0_pReal)* tauRel_S**(prm%p-1.0_pReal), &
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0.0_pReal, &
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tauEff < criticalStress_S)
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