converted two examples to yaml
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Sharan Roongta
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PRIVATE
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PRIVATE
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Subproject commit 5fe205710fe079c77d0b4fa142248804cbb91563
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Subproject commit 48dd9972d9023caa8b04226112dcdd57fa0be6af
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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: {C_11: 175.0e9, C_12: 115.0e9, C_44: 135.0e9, type: hooke}
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plasticity:
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type: dislotwin
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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: [1.0e-4]
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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 # Adj. parameter controlling the minimum dipole distance [in 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 params
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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 of twin system [m]
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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 in Burgers vectors
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x_c_tw: 1.0e-9 # critical distance for formation of twin nucleus
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V_cs: 1.67e-29 # cross slip volume
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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 at zero K; TWIP steel: -0.0526; Cu: -0.0396
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dGamma_sf_dT: 0.0002 # temperature dependance of stacking fault energy
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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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@ -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 +1,22 @@
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Tungsten:
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lattice: cI
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mechanics:
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elasticity: {C_11: 523.0e9, C_12: 202.0e9, C_44: 161.0e9, type: hooke} # From 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 of slip system [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: [1.0e-4] # 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]
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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 # Adj. parameter controlling the minimum dipole distance [in 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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no_dipole_formation: True
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@ -87,7 +87,6 @@ class TestConfigMaterial:
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def test_from_table(self):
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N = np.random.randint(3,10)
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a = np.vstack((np.hstack((np.arange(N),np.arange(N)[::-1])),np.ones(N*2),np.zeros(N*2),np.ones(N*2),np.ones(N*2))).T
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print(a)
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t = Table(a,{'varying':1,'constant':4})
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c = ConfigMaterial.from_table(t,**{'phase':'varying','O':'constant','homogenization':'4_constant'})
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assert len(c['material']) == N
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