Merge remote-tracking branch 'origin/development' into initial-temp
This commit is contained in:
Martin Diehl
commit
4cd72b36ad
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@ -1,4 +0,0 @@
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[DP_Steel]
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crystallite 1
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(constituent) phase 1 texture 1 fraction 0.82
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(constituent) phase 2 texture 2 fraction 0.18
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@ -1,64 +0,0 @@
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[TWIP_Steel_FeMnC]
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elasticity hooke
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plasticity dislotwin
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(output) rho_mob
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(output) rho_dip
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(output) gamma_sl
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(output) lambda_sl
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(output) tau_pass
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(output) f_tw
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(output) lambda_tw
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(output) tau_hat_tw
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(output) f_tr
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### Material parameters ###
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lattice_structure fcc
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C11 175.0e9 # From Music et al. Applied Physics Letters 91, 191904 (2007)
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C12 115.0e9
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C44 135.0e9
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grainsize 2.0e-5 # Average grain size [m]
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SolidSolutionStrength 1.5e8 # Strength due to elements in solid solution
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### Dislocation glide parameters ###
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Nslip 12
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slipburgers 2.56e-10 # Burgers vector of slip system [m]
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rhoedgedip0 1.0 # Initial dislocation density [m/m**3]
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rhoedge0 1.0e12 # Initial dislocation density [m/m**3]
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v0 1.0e-4 # Initial glide velocity [m/s]
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Qedge 3.7e-19 # Activation energy for dislocation glide [J]
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p_slip 1.0 # p-exponent in glide velocity
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q_slip 1.0 # q-exponent in glide velocity
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# hardening of glide
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CLambdaSlip 10.0 # Adj. parameter controlling dislocation mean free path
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D0 4.0e-5 # Vacancy diffusion prefactor [m**2/s]
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Qsd 4.5e-19 # Activation energy for climb [J]
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Catomicvolume 1.0 # Adj. parameter controlling the atomic volume [in b^3]
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Cedgedipmindistance 1.0 # Adj. parameter controlling the minimum dipole distance [in b]
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interactionSlipSlip 0.122 0.122 0.625 0.07 0.137 0.122 # Interaction coefficients (Kubin et al. 2008)
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### Shearband parameters ###
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shearbandresistance 180e6
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shearbandvelocity 0e-4 # set to zero to turn shear banding of
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QedgePerSbSystem 3.7e-19 # Activation energy for shear banding [J]
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p_shearband 1.0 # p-exponent in glide velocity
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q_shearband 1.0 # q-exponent in glide velocity
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### Twinning parameters ###
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Ntwin 12
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twinburgers 1.47e-10 # Burgers vector of twin system [m]
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twinsize 5.0e-8 # Twin stack mean thickness [m]
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L0_twin 442.0 # Length of twin nuclei in Burgers vectors
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maxtwinfraction 1.0 # Maximum admissible twin volume fraction
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xc_twin 1.0e-9 # critical distance for formation of twin nucleus
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VcrossSlip 1.67e-29 # cross slip volume
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r_twin 10.0 # r-exponent in twin formation probability
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Cmfptwin 1.0 # Adj. parameter controlling twin mean free path
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Cthresholdtwin 1.0 # Adj. parameter controlling twin threshold stress
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interactionSlipTwin 0.0 1.0 1.0 # Dislocation-Twin interaction coefficients
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interactionTwinTwin 0.0 1.0 # Twin-Twin interaction coefficients
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SFE_0K -0.0396 # stacking fault energy at zero K; TWIP steel: -0.0526; Cu: -0.0396
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dSFE_dT 0.0002 # temperature dependance of stacking fault energy
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@ -0,0 +1,41 @@
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TWIP_Steel_FeMnC:
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lattice: cF
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mechanics:
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elasticity: {type: hooke, C_11: 175.0e9, C_12: 115.0e9, C_44: 135.0e9}
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plasticity:
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type: dislotwin
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output: [rho_mob, rho_dip, gamma_sl, Lambda_sl, tau_pass, f_tw, Lambda_tw, tau_hat_tw, f_tr]
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D: 2.0e-5
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N_sl: [12]
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b_sl: [2.56e-10]
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rho_mob_0: [1.0e12]
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rho_dip_0: [1.0]
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v_0: [1.0e4]
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Q_s: [3.7e-19]
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p_sl: [1.0]
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q_sl: [1.0]
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tau_0: [1.5e8]
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i_sl: [10.0] # Adj. parameter controlling dislocation mean free path
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D_0: 4.0e-5 # Vacancy diffusion prefactor / m^2/s
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D_a: 1.0 # minimum dipole distance / b
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Q_cl: 4.5e-19 # Activation energy for climb / J
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h_sl_sl: [0.122, 0.122, 0.625, 0.07, 0.137, 0.122] # Interaction coefficients (Kubin et al. 2008)
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# shear band parameters
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xi_sb: 180.0e6
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Q_sb: 3.7e-19
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p_sb: 1.0
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q_sb: 1.0
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v_sb: 0.0 # set to 0, to turn it off
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# twinning parameters
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N_tw: [12]
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b_tw: [1.47e-10] # Burgers vector length of twin system / b
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t_tw: [5.0e-8] # Twin stack mean thickness / m
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L_tw: 442.0 # Length of twin nuclei / b
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x_c_tw: 1.0e-9 # critical distance for formation of twin nucleus / m
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V_cs: 1.67e-29 # cross slip volume / m^3
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p_tw: [10.0] # r-exponent in twin formation probability
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i_tw: 1.0 # Adj. parameter controlling twin mean free path
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h_sl_tw: [0.0, 1.0, 1.0] # dislocation-twin interaction coefficients
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h_tw_tw: [0.0, 1.0] # twin-twin interaction coefficients
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Gamma_sf_0K: -0.0396 # stacking fault energy / J/m^2 at zero K; TWIP steel: -0.0526; Cu: -0.0396
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dGamma_sf_dT: 0.0002 # temperature dependence / J/(m^2 K) of stacking fault energy
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@ -1,36 +0,0 @@
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[Tungsten]
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elasticity hooke
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plasticity dislotwin
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### Material parameters ###
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lattice_structure bcc
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C11 523.0e9 # From Marinica et al. Journal of Physics: Condensed Matter(2013)
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C12 202.0e9
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C44 161.0e9
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grainsize 2.0e-5 # Average grain size [m]
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SolidSolutionStrength 1.5e8 # Strength due to elements in solid solution
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### Dislocation glide parameters ###
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#per family
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Nslip 12
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slipburgers 2.72e-10 # Burgers vector of slip system [m]
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rhoedge0 1.0e12 # Initial edge dislocation density [m/m**3]
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rhoedgedip0 1.0 # Initial edged dipole dislocation density [m/m**3]
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v0 1.0e-4 # Initial glide velocity [m/s]
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Qedge 2.725e-19 # Activation energy for dislocation glide [J]
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p_slip 0.78 # p-exponent in glide velocity
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q_slip 1.58 # q-exponent in glide velocity
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tau_peierls 2.03e9 # peierls stress (for bcc)
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dipoleformationfactor 0 # to have hardening due to dipole formation off
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#hardening
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CLambdaSlip 10.0 # Adj. parameter controlling dislocation mean free path
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D0 4.0e-5 # Vacancy diffusion prefactor [m**2/s]
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Qsd 4.5e-19 # Activation energy for climb [J]
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Catomicvolume 1.0 # Adj. parameter controlling the atomic volume [in b]
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Cedgedipmindistance 1.0 # Adj. parameter controlling the minimum dipole distance [in b]
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interaction_slipslip 1 1 1.4 1.4 1.4 1.4
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@ -0,0 +1,21 @@
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Tungsten:
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lattice: cI
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mechanics:
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elasticity: {type: hooke, C_11: 523.0e9, C_12: 202.0e9, C_44: 161.0e9} # Marinica et al. Journal of Physics: Condensed Matter(2013)
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plasticity:
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type: dislotwin
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D: 2.0e-5 # Average grain size / m
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N_sl: [12]
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b_sl: [2.72e-10] # Burgers vector length of slip families / m
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rho_mob_0: [1.0e12]
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rho_dip_0: [1.0]
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v_0: [1.0e4] # Initial glide velocity / m/s
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Q_s: [2.725e-19] # Activation energy for dislocation glide / J
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p_sl: [0.78] # p-exponent in glide velocity
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q_sl: [1.58] # q-exponent in glide velocity
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tau_0: [1.5e8] # solid solution strength / Pa
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i_sl: [10.0] # Adj. parameter controlling dislocation mean free path
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D_0: 4.0e-5 # Vacancy diffusion prefactor / m^2/s
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D_a: 1.0 # minimum dipole distance / b
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Q_cl: 4.5e-19 # Activation energy for climb / J
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h_sl_sl: [1, 1, 1.4, 1.4, 1.4, 1.4]
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@ -1,3 +0,0 @@
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hydrogenflux_diffusion11 1.0
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hydrogenflux_mobility11 1.0
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hydrogenVolume 1e-28
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@ -133,6 +133,8 @@ def execute(cmd,
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stdout = stdout.decode('utf-8').replace('\x08','')
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stderr = stderr.decode('utf-8').replace('\x08','')
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if process.returncode != 0:
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print(stdout)
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print(stderr)
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raise RuntimeError(f"'{cmd}' failed with returncode {process.returncode}")
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return stdout, stderr
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@ -437,7 +439,7 @@ class _ProgressBar:
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bar = '█' * filled_length + '░' * (self.bar_length - filled_length)
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delta_time = datetime.datetime.now() - self.start_time
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remaining_time = (self.total - (iteration+1)) * delta_time / (iteration+1)
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remaining_time -= datetime.timedelta(microseconds=remaining_time.microseconds) # remove μs
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remaining_time -= datetime.timedelta(microseconds=remaining_time.microseconds) # remove μs
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sys.stderr.write(f'\r{self.prefix} {bar} {fraction:>4.0%} ETA {remaining_time}')
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sys.stderr.flush()
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@ -1133,6 +1133,7 @@ real(pReal) pure function math_areaTriangle(v1,v2,v3)
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real(pReal), dimension (3), intent(in) :: v1,v2,v3
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math_areaTriangle = 0.5_pReal * norm2(math_cross(v1-v2,v1-v3))
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end function math_areaTriangle
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@ -1147,11 +1148,13 @@ real(pReal) pure elemental function math_clip(a, left, right)
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real(pReal), intent(in) :: a
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real(pReal), intent(in), optional :: left, right
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math_clip = a
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if (present(left)) math_clip = max(left,math_clip)
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if (present(right)) math_clip = min(right,math_clip)
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if (present(left) .and. present(right)) &
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math_clip = merge (IEEE_value(1.0_pReal,IEEE_quiet_NaN),math_clip, left>right)
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if (present(left) .and. present(right)) then
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if(left>right) error stop 'left > right'
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endif
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end function math_clip
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@ -1182,6 +1185,7 @@ subroutine selfTest
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integer :: d
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logical :: e
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if (any(abs([1.0_pReal,2.0_pReal,2.0_pReal,3.0_pReal,3.0_pReal,3.0_pReal] - &
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math_expand([1.0_pReal,2.0_pReal,3.0_pReal],[1,2,3,0])) > tol_math_check)) &
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error stop 'math_expand [1,2,3] by [1,2,3,0] => [1,2,2,3,3,3]'
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@ -24,7 +24,6 @@ submodule(phase:plastic) dislotwin
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q_sb = 1.0_pReal, & !< q-exponent in shear band velocity
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D_a = 1.0_pReal, & !< adjustment parameter to calculate minimum dipole distance
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i_tw = 1.0_pReal, & !< adjustment parameter to calculate MFP for twinning
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tau_0 = 1.0_pReal, & !< strength due to elements in solid solution
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L_tw = 1.0_pReal, & !< Length of twin nuclei in Burgers vectors
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L_tr = 1.0_pReal, & !< Length of trans nuclei in Burgers vectors
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x_c_tw = 1.0_pReal, & !< critical distance for formation of twin nucleus
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@ -53,6 +52,7 @@ submodule(phase:plastic) dislotwin
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q, & !< q-exponent in glide velocity
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r, & !< r-exponent in twin nucleation rate
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s, & !< s-exponent in trans nucleation rate
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tau_0, & !< strength due to elements in solid solution
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gamma_char, & !< characteristic shear for twins
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B !< drag coefficient
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real(pReal), allocatable, dimension(:,:) :: &
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@ -81,7 +81,7 @@ submodule(phase:plastic) dislotwin
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logical :: &
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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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dipoleFormation !< flag indicating consideration of dipole formation
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omitDipoles !< flag controlling consideration of dipole formation
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end type !< container type for internal constitutive parameters
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type :: tDislotwinState
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@ -213,10 +213,10 @@ module function plastic_dislotwin_init() result(myPlasticity)
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prm%i_sl = pl%get_asFloats('i_sl', requiredSize=size(N_sl))
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prm%p = pl%get_asFloats('p_sl', requiredSize=size(N_sl))
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prm%q = pl%get_asFloats('q_sl', requiredSize=size(N_sl))
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prm%tau_0 = pl%get_asFloats('tau_0', requiredSize=size(N_sl))
|
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prm%B = pl%get_asFloats('B', requiredSize=size(N_sl), &
|
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defaultVal=[(0.0_pReal, i=1,size(N_sl))])
|
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|
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prm%tau_0 = pl%get_asFloat('tau_0')
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prm%D_a = pl%get_asFloat('D_a')
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prm%D_0 = pl%get_asFloat('D_0')
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prm%Q_cl = pl%get_asFloat('Q_cl')
|
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|
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@ -226,7 +226,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
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prm%dGamma_sf_dT = pl%get_asFloat('dGamma_sf_dT')
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endif
|
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|
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prm%dipoleformation = .not. pl%get_asBool('no_dipole_formation',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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! details: Argon & Moffat, Acta Metallurgica, Vol. 29, pg 293 to 299, 1981
|
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|
|
@ -242,6 +242,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
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prm%i_sl = math_expand(prm%i_sl, N_sl)
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prm%p = math_expand(prm%p, N_sl)
|
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prm%q = math_expand(prm%q, N_sl)
|
||||
prm%tau_0 = math_expand(prm%tau_0, N_sl)
|
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prm%B = math_expand(prm%B, N_sl)
|
||||
|
||||
! sanity checks
|
||||
|
|
@ -443,15 +444,15 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
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endIndex = endIndex + prm%sum_N_tw
|
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stt%f_tw=>plasticState(ph)%state(startIndex:endIndex,:)
|
||||
dot%f_tw=>plasticState(ph)%dotState(startIndex:endIndex,:)
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('f_twin',defaultVal=1.0e-7_pReal)
|
||||
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' f_twin'
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_f_tw',defaultVal=1.0e-7_pReal)
|
||||
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_f_tw'
|
||||
|
||||
startIndex = endIndex + 1
|
||||
endIndex = endIndex + prm%sum_N_tr
|
||||
stt%f_tr=>plasticState(ph)%state(startIndex:endIndex,:)
|
||||
dot%f_tr=>plasticState(ph)%dotState(startIndex:endIndex,:)
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('f_trans',defaultVal=1.0e-6_pReal)
|
||||
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' f_trans'
|
||||
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'
|
||||
|
||||
allocate(dst%Lambda_sl (prm%sum_N_sl,Nconstituents),source=0.0_pReal)
|
||||
allocate(dst%tau_pass (prm%sum_N_sl,Nconstituents),source=0.0_pReal)
|
||||
|
|
@ -535,9 +536,9 @@ module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,ph,me)
|
|||
real(pReal), dimension(param(ph)%sum_N_sl) :: &
|
||||
dot_gamma_sl,ddot_gamma_dtau_slip
|
||||
real(pReal), dimension(param(ph)%sum_N_tw) :: &
|
||||
dot_gamma_twin,ddot_gamma_dtau_twin
|
||||
dot_gamma_tw,ddot_gamma_dtau_tw
|
||||
real(pReal), dimension(param(ph)%sum_N_tr) :: &
|
||||
dot_gamma_tr,ddot_gamma_dtau_trans
|
||||
dot_gamma_tr,ddot_gamma_dtau_tr
|
||||
real(pReal):: dot_gamma_sb
|
||||
real(pReal), dimension(3,3) :: eigVectors, P_sb
|
||||
real(pReal), dimension(3) :: eigValues
|
||||
|
|
@ -578,20 +579,20 @@ module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,ph,me)
|
|||
+ ddot_gamma_dtau_slip(i) * prm%P_sl(k,l,i) * prm%P_sl(m,n,i)
|
||||
enddo slipContribution
|
||||
|
||||
call kinetics_twin(Mp,T,dot_gamma_sl,ph,me,dot_gamma_twin,ddot_gamma_dtau_twin)
|
||||
call kinetics_twin(Mp,T,dot_gamma_sl,ph,me,dot_gamma_tw,ddot_gamma_dtau_tw)
|
||||
twinContibution: do i = 1, prm%sum_N_tw
|
||||
Lp = Lp + dot_gamma_twin(i)*prm%P_tw(1:3,1:3,i)
|
||||
Lp = Lp + dot_gamma_tw(i)*prm%P_tw(1:3,1:3,i)
|
||||
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
|
||||
dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) &
|
||||
+ ddot_gamma_dtau_twin(i)* prm%P_tw(k,l,i)*prm%P_tw(m,n,i)
|
||||
+ ddot_gamma_dtau_tw(i)* prm%P_tw(k,l,i)*prm%P_tw(m,n,i)
|
||||
enddo twinContibution
|
||||
|
||||
call kinetics_trans(Mp,T,dot_gamma_sl,ph,me,dot_gamma_tr,ddot_gamma_dtau_trans)
|
||||
call kinetics_trans(Mp,T,dot_gamma_sl,ph,me,dot_gamma_tr,ddot_gamma_dtau_tr)
|
||||
transContibution: do i = 1, prm%sum_N_tr
|
||||
Lp = Lp + dot_gamma_tr(i)*prm%P_tr(1:3,1:3,i)
|
||||
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
|
||||
dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) &
|
||||
+ ddot_gamma_dtau_trans(i)* prm%P_tr(k,l,i)*prm%P_tr(m,n,i)
|
||||
+ ddot_gamma_dtau_tr(i)* prm%P_tr(k,l,i)*prm%P_tr(m,n,i)
|
||||
enddo transContibution
|
||||
|
||||
Lp = Lp * f_unrotated
|
||||
|
|
@ -646,7 +647,6 @@ module subroutine dislotwin_dotState(Mp,T,ph,me)
|
|||
f_unrotated, &
|
||||
rho_dip_distance, &
|
||||
v_cl, & !< climb velocity
|
||||
Gamma, & !< stacking fault energy
|
||||
tau, &
|
||||
sigma_cl, & !< climb stress
|
||||
b_d !< ratio of Burgers vector to stacking fault width
|
||||
|
|
@ -656,7 +656,7 @@ module subroutine dislotwin_dotState(Mp,T,ph,me)
|
|||
rho_dip_distance_min, &
|
||||
dot_gamma_sl
|
||||
real(pReal), dimension(param(ph)%sum_N_tw) :: &
|
||||
dot_gamma_twin
|
||||
dot_gamma_tw
|
||||
real(pReal), dimension(param(ph)%sum_N_tr) :: &
|
||||
dot_gamma_tr
|
||||
|
||||
|
|
@ -675,7 +675,7 @@ module subroutine dislotwin_dotState(Mp,T,ph,me)
|
|||
slipState: do i = 1, prm%sum_N_sl
|
||||
tau = math_tensordot(Mp,prm%P_sl(1:3,1:3,i))
|
||||
|
||||
significantSlipStress: if (dEq0(tau)) then
|
||||
significantSlipStress: if (dEq0(tau) .or. prm%omitDipoles) then
|
||||
dot_rho_dip_formation(i) = 0.0_pReal
|
||||
dot_rho_dip_climb(i) = 0.0_pReal
|
||||
else significantSlipStress
|
||||
|
|
@ -683,24 +683,18 @@ module subroutine dislotwin_dotState(Mp,T,ph,me)
|
|||
rho_dip_distance = math_clip(rho_dip_distance, right = dst%Lambda_sl(i,me))
|
||||
rho_dip_distance = math_clip(rho_dip_distance, left = rho_dip_distance_min(i))
|
||||
|
||||
if (prm%dipoleFormation) then
|
||||
dot_rho_dip_formation(i) = 2.0_pReal*(rho_dip_distance-rho_dip_distance_min(i))/prm%b_sl(i) &
|
||||
* stt%rho_mob(i,me)*abs(dot_gamma_sl(i))
|
||||
else
|
||||
dot_rho_dip_formation(i) = 0.0_pReal
|
||||
endif
|
||||
dot_rho_dip_formation(i) = 2.0_pReal*(rho_dip_distance-rho_dip_distance_min(i))/prm%b_sl(i) &
|
||||
* stt%rho_mob(i,me)*abs(dot_gamma_sl(i))
|
||||
|
||||
if (dEq(rho_dip_distance,rho_dip_distance_min(i))) then
|
||||
dot_rho_dip_climb(i) = 0.0_pReal
|
||||
else
|
||||
!@details: Refer: Argon & Moffat, Acta Metallurgica, Vol. 29, pg 293 to 299, 1981
|
||||
! Argon & Moffat, Acta Metallurgica, Vol. 29, pg 293 to 299, 1981
|
||||
sigma_cl = dot_product(prm%n0_sl(1:3,i),matmul(Mp,prm%n0_sl(1:3,i)))
|
||||
if (prm%ExtendedDislocations) then
|
||||
Gamma = prm%Gamma_sf_0K + prm%dGamma_sf_dT * T
|
||||
b_d = 24.0_pReal*PI*(1.0_pReal - prm%nu)/(2.0_pReal + prm%nu)* Gamma/(prm%mu*prm%b_sl(i))
|
||||
else
|
||||
b_d = 1.0_pReal
|
||||
endif
|
||||
b_d = merge(24.0_pReal*PI*(1.0_pReal - prm%nu)/(2.0_pReal + prm%nu) &
|
||||
* (prm%Gamma_sf_0K + prm%dGamma_sf_dT * T) / (prm%mu*prm%b_sl(i)), &
|
||||
1.0_pReal, &
|
||||
prm%ExtendedDislocations)
|
||||
v_cl = 2.0_pReal*prm%omega*b_d**2.0_pReal*exp(-prm%Q_cl/(kB*T)) &
|
||||
* (exp(abs(sigma_cl)*prm%b_sl(i)**3.0_pReal/(kB*T)) - 1.0_pReal)
|
||||
|
||||
|
|
@ -718,8 +712,8 @@ module subroutine dislotwin_dotState(Mp,T,ph,me)
|
|||
- 2.0_pReal*rho_dip_distance_min/prm%b_sl * stt%rho_dip(:,me)*abs(dot_gamma_sl) &
|
||||
- dot_rho_dip_climb
|
||||
|
||||
call kinetics_twin(Mp,T,dot_gamma_sl,ph,me,dot_gamma_twin)
|
||||
dot%f_tw(:,me) = f_unrotated*dot_gamma_twin/prm%gamma_char
|
||||
call kinetics_twin(Mp,T,dot_gamma_sl,ph,me,dot_gamma_tw)
|
||||
dot%f_tw(:,me) = f_unrotated*dot_gamma_tw/prm%gamma_char
|
||||
|
||||
call kinetics_trans(Mp,T,dot_gamma_sl,ph,me,dot_gamma_tr)
|
||||
dot%f_tr(:,me) = f_unrotated*dot_gamma_tr
|
||||
|
|
@ -741,11 +735,9 @@ module subroutine dislotwin_dependentState(T,ph,me)
|
|||
T
|
||||
|
||||
real(pReal) :: &
|
||||
sumf_twin,Gamma,sumf_trans
|
||||
sumf_tw,Gamma,sumf_tr
|
||||
real(pReal), dimension(param(ph)%sum_N_sl) :: &
|
||||
inv_lambda_sl_sl, & !< 1/mean free distance between 2 forest dislocations seen by a moving dislocation
|
||||
inv_lambda_sl_tw, & !< 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation
|
||||
inv_lambda_sl_tr !< 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation
|
||||
inv_lambda_sl
|
||||
real(pReal), dimension(param(ph)%sum_N_tw) :: &
|
||||
inv_lambda_tw_tw, & !< 1/mean free distance between 2 twin stacks from different systems seen by a growing twin
|
||||
f_over_t_tw
|
||||
|
|
@ -760,38 +752,27 @@ module subroutine dislotwin_dependentState(T,ph,me)
|
|||
stt => state(ph),&
|
||||
dst => dependentState(ph))
|
||||
|
||||
sumf_twin = sum(stt%f_tw(1:prm%sum_N_tw,me))
|
||||
sumf_trans = sum(stt%f_tr(1:prm%sum_N_tr,me))
|
||||
sumf_tw = sum(stt%f_tw(1:prm%sum_N_tw,me))
|
||||
sumf_tr = sum(stt%f_tr(1:prm%sum_N_tr,me))
|
||||
|
||||
Gamma = prm%Gamma_sf_0K + prm%dGamma_sf_dT * T
|
||||
|
||||
!* rescaled volume fraction for topology
|
||||
f_over_t_tw = stt%f_tw(1:prm%sum_N_tw,me)/prm%t_tw ! this is per system ...
|
||||
f_over_t_tr = sumf_trans/prm%t_tr ! but this not
|
||||
f_over_t_tr = sumf_tr/prm%t_tr ! but this not
|
||||
! ToDo ...Physically correct, but naming could be adjusted
|
||||
|
||||
inv_lambda_sl_sl = sqrt(matmul(prm%forestProjection, &
|
||||
stt%rho_mob(:,me)+stt%rho_dip(:,me)))/prm%i_sl
|
||||
|
||||
inv_lambda_sl = sqrt(matmul(prm%forestProjection,stt%rho_mob(:,me)+stt%rho_dip(:,me)))/prm%i_sl
|
||||
if (prm%sum_N_tw > 0 .and. prm%sum_N_sl > 0) &
|
||||
inv_lambda_sl_tw = matmul(prm%h_sl_tw,f_over_t_tw)/(1.0_pReal-sumf_twin)
|
||||
|
||||
inv_lambda_tw_tw = matmul(prm%h_tw_tw,f_over_t_tw)/(1.0_pReal-sumf_twin)
|
||||
|
||||
inv_lambda_sl = inv_lambda_sl + matmul(prm%h_sl_tw,f_over_t_tw)/(1.0_pReal-sumf_tw)
|
||||
if (prm%sum_N_tr > 0 .and. prm%sum_N_sl > 0) &
|
||||
inv_lambda_sl_tr = matmul(prm%h_sl_tr,f_over_t_tr)/(1.0_pReal-sumf_trans)
|
||||
|
||||
inv_lambda_tr_tr = matmul(prm%h_tr_tr,f_over_t_tr)/(1.0_pReal-sumf_trans)
|
||||
|
||||
if ((prm%sum_N_tw > 0) .or. (prm%sum_N_tr > 0)) then ! ToDo: better logic needed here
|
||||
dst%Lambda_sl(:,me) = prm%D &
|
||||
/ (1.0_pReal+prm%D*(inv_lambda_sl_sl + inv_lambda_sl_tw + inv_lambda_sl_tr))
|
||||
else
|
||||
dst%Lambda_sl(:,me) = prm%D &
|
||||
/ (1.0_pReal+prm%D*inv_lambda_sl_sl) !!!!!! correct?
|
||||
endif
|
||||
inv_lambda_sl = inv_lambda_sl + matmul(prm%h_sl_tr,f_over_t_tr)/(1.0_pReal-sumf_tr)
|
||||
dst%Lambda_sl(:,me) = prm%D / (1.0_pReal+prm%D*inv_lambda_sl)
|
||||
|
||||
inv_lambda_tw_tw = matmul(prm%h_tw_tw,f_over_t_tw)/(1.0_pReal-sumf_tw)
|
||||
dst%Lambda_tw(:,me) = prm%i_tw*prm%D/(1.0_pReal+prm%D*inv_lambda_tw_tw)
|
||||
|
||||
inv_lambda_tr_tr = matmul(prm%h_tr_tr,f_over_t_tr)/(1.0_pReal-sumf_tr)
|
||||
dst%Lambda_tr(:,me) = prm%i_tr*prm%D/(1.0_pReal+prm%D*inv_lambda_tr_tr)
|
||||
|
||||
!* threshold stress for dislocation motion
|
||||
|
|
@ -957,7 +938,7 @@ end subroutine kinetics_slip
|
|||
! have the optional arguments at the end.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,ph,me,&
|
||||
dot_gamma_twin,ddot_gamma_dtau_twin)
|
||||
dot_gamma_tw,ddot_gamma_dtau_tw)
|
||||
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
Mp !< Mandel stress
|
||||
|
|
@ -970,9 +951,9 @@ pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,ph,me,&
|
|||
dot_gamma_sl
|
||||
|
||||
real(pReal), dimension(param(ph)%sum_N_tw), intent(out) :: &
|
||||
dot_gamma_twin
|
||||
dot_gamma_tw
|
||||
real(pReal), dimension(param(ph)%sum_N_tw), optional, intent(out) :: &
|
||||
ddot_gamma_dtau_twin
|
||||
ddot_gamma_dtau_tw
|
||||
|
||||
real, dimension(param(ph)%sum_N_tw) :: &
|
||||
tau, &
|
||||
|
|
@ -1004,16 +985,16 @@ pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,ph,me,&
|
|||
|
||||
significantStress: where(tau > tol_math_check)
|
||||
StressRatio_r = (dst%tau_hat_tw(:,me)/tau)**prm%r
|
||||
dot_gamma_twin = prm%gamma_char * dst%V_tw(:,me) * Ndot0*exp(-StressRatio_r)
|
||||
ddot_gamma_dtau = (dot_gamma_twin*prm%r/tau)*StressRatio_r
|
||||
dot_gamma_tw = prm%gamma_char * dst%V_tw(:,me) * Ndot0*exp(-StressRatio_r)
|
||||
ddot_gamma_dtau = (dot_gamma_tw*prm%r/tau)*StressRatio_r
|
||||
else where significantStress
|
||||
dot_gamma_twin = 0.0_pReal
|
||||
dot_gamma_tw = 0.0_pReal
|
||||
ddot_gamma_dtau = 0.0_pReal
|
||||
end where significantStress
|
||||
|
||||
end associate
|
||||
|
||||
if(present(ddot_gamma_dtau_twin)) ddot_gamma_dtau_twin = ddot_gamma_dtau
|
||||
if(present(ddot_gamma_dtau_tw)) ddot_gamma_dtau_tw = ddot_gamma_dtau
|
||||
|
||||
end subroutine kinetics_twin
|
||||
|
||||
|
|
@ -1026,7 +1007,7 @@ end subroutine kinetics_twin
|
|||
! have the optional arguments at the end.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,ph,me,&
|
||||
dot_gamma_tr,ddot_gamma_dtau_trans)
|
||||
dot_gamma_tr,ddot_gamma_dtau_tr)
|
||||
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
Mp !< Mandel stress
|
||||
|
|
@ -1041,7 +1022,7 @@ pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,ph,me,&
|
|||
real(pReal), dimension(param(ph)%sum_N_tr), intent(out) :: &
|
||||
dot_gamma_tr
|
||||
real(pReal), dimension(param(ph)%sum_N_tr), optional, intent(out) :: &
|
||||
ddot_gamma_dtau_trans
|
||||
ddot_gamma_dtau_tr
|
||||
|
||||
real, dimension(param(ph)%sum_N_tr) :: &
|
||||
tau, &
|
||||
|
|
@ -1081,7 +1062,7 @@ pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,ph,me,&
|
|||
|
||||
end associate
|
||||
|
||||
if(present(ddot_gamma_dtau_trans)) ddot_gamma_dtau_trans = ddot_gamma_dtau
|
||||
if(present(ddot_gamma_dtau_tr)) ddot_gamma_dtau_tr = ddot_gamma_dtau
|
||||
|
||||
end subroutine kinetics_trans
|
||||
|
||||
|
|
|
|||
Loading…
Reference in New Issue