diff --git a/PRIVATE b/PRIVATE index 5fe205710..48dd9972d 160000 --- a/PRIVATE +++ b/PRIVATE @@ -1 +1 @@ -Subproject commit 5fe205710fe079c77d0b4fa142248804cbb91563 +Subproject commit 48dd9972d9023caa8b04226112dcdd57fa0be6af diff --git a/examples/ConfigFiles/Phase_Dislotwin_TWIP-Steel-FeMnC.config b/examples/ConfigFiles/Phase_Dislotwin_TWIP-Steel-FeMnC.config deleted file mode 100644 index 3ca635d73..000000000 --- a/examples/ConfigFiles/Phase_Dislotwin_TWIP-Steel-FeMnC.config +++ /dev/null @@ -1,64 +0,0 @@ -[TWIP_Steel_FeMnC] - -elasticity hooke -plasticity dislotwin - -(output) rho_mob -(output) rho_dip -(output) gamma_sl -(output) lambda_sl -(output) tau_pass -(output) f_tw -(output) lambda_tw -(output) tau_hat_tw -(output) f_tr - - -### Material parameters ### -lattice_structure fcc -C11 175.0e9 # From Music et al. Applied Physics Letters 91, 191904 (2007) -C12 115.0e9 -C44 135.0e9 -grainsize 2.0e-5 # Average grain size [m] -SolidSolutionStrength 1.5e8 # Strength due to elements in solid solution - -### Dislocation glide parameters ### -Nslip 12 -slipburgers 2.56e-10 # Burgers vector of slip system [m] -rhoedgedip0 1.0 # Initial dislocation density [m/m**3] -rhoedge0 1.0e12 # Initial dislocation density [m/m**3] -v0 1.0e-4 # Initial glide velocity [m/s] -Qedge 3.7e-19 # Activation energy for dislocation glide [J] -p_slip 1.0 # p-exponent in glide velocity -q_slip 1.0 # q-exponent in glide velocity - -# hardening of glide -CLambdaSlip 10.0 # Adj. parameter controlling dislocation mean free path -D0 4.0e-5 # Vacancy diffusion prefactor [m**2/s] -Qsd 4.5e-19 # Activation energy for climb [J] -Catomicvolume 1.0 # Adj. parameter controlling the atomic volume [in b^3] -Cedgedipmindistance 1.0 # Adj. parameter controlling the minimum dipole distance [in b] -interactionSlipSlip 0.122 0.122 0.625 0.07 0.137 0.122 # Interaction coefficients (Kubin et al. 2008) - -### Shearband parameters ### -shearbandresistance 180e6 -shearbandvelocity 0e-4 # set to zero to turn shear banding of -QedgePerSbSystem 3.7e-19 # Activation energy for shear banding [J] -p_shearband 1.0 # p-exponent in glide velocity -q_shearband 1.0 # q-exponent in glide velocity - -### Twinning parameters ### -Ntwin 12 -twinburgers 1.47e-10 # Burgers vector of twin system [m] -twinsize 5.0e-8 # Twin stack mean thickness [m] -L0_twin 442.0 # Length of twin nuclei in Burgers vectors -maxtwinfraction 1.0 # Maximum admissible twin volume fraction -xc_twin 1.0e-9 # critical distance for formation of twin nucleus -VcrossSlip 1.67e-29 # cross slip volume -r_twin 10.0 # r-exponent in twin formation probability -Cmfptwin 1.0 # Adj. parameter controlling twin mean free path -Cthresholdtwin 1.0 # Adj. parameter controlling twin threshold stress -interactionSlipTwin 0.0 1.0 1.0 # Dislocation-Twin interaction coefficients -interactionTwinTwin 0.0 1.0 # Twin-Twin interaction coefficients -SFE_0K -0.0396 # stacking fault energy at zero K; TWIP steel: -0.0526; Cu: -0.0396 -dSFE_dT 0.0002 # temperature dependance of stacking fault energy diff --git a/examples/ConfigFiles/Phase_Dislotwin_TWIP-Steel-FeMnC.yaml b/examples/ConfigFiles/Phase_Dislotwin_TWIP-Steel-FeMnC.yaml new file mode 100644 index 000000000..e4f325d66 --- /dev/null +++ b/examples/ConfigFiles/Phase_Dislotwin_TWIP-Steel-FeMnC.yaml @@ -0,0 +1,41 @@ +TWIP_STEEL_FeMnC: + lattice: cF + mechanics: + elasticity: {C_11: 175.0e9, C_12: 115.0e9, C_44: 135.0e9, type: hooke} + plasticity: + type: dislotwin + D: 2.0e-5 + N_sl: [12] + b_sl: [2.56e-10] + rho_mob_0: [1.0e12] + rho_dip_0: [1.0] + v_0: [1.0e-4] + Q_s: [3.7e-19] + p_sl: [1.0] + q_sl: [1.0] + tau_0: [1.5e8] + i_sl: [10.0] # Adj. parameter controlling dislocation mean free path + D_0: 4.0e-5 # Vacancy diffusion prefactor [m**2/s] + D_a: 1.0 # Adj. parameter controlling the minimum dipole distance [in b] + Q_cl: 4.5e-19 # Activation energy for climb [J] + h_sl_sl: [0.122, 0.122, 0.625, 0.07, 0.137, 0.122] # Interaction coefficients (Kubin et al. 2008) +# shear band params + xi_sb: 180.0e6 + Q_sb: 3.7e-19 + p_sb: 1.0 + q_sb: 1.0 + v_sb: 0.0 #set to 0, to turn it off + ### Twinning parameters ### + N_tw: [12] + b_tw: [1.47e-10] # Burgers vector of twin system [m] + t_tw: [5.0e-8] # Twin stack mean thickness [m] + L_tw: 442.0 # Length of twin nuclei in Burgers vectors + x_c_tw: 1.0e-9 # critical distance for formation of twin nucleus + V_cs: 1.67e-29 # cross slip volume + p_tw: [10.0] # r-exponent in twin formation probability + i_tw: 1.0 # Adj. parameter controlling twin mean free path + h_sl_tw: [0.0, 1.0, 1.0] # Dislocation-Twin interaction coefficients + h_tw_tw: [0.0, 1.0] # Twin-Twin interaction coefficients + Gamma_sf_0K: -0.0396 # stacking fault energy at zero K; TWIP steel: -0.0526; Cu: -0.0396 + dGamma_sf_dT: 0.0002 # temperature dependance of stacking fault energy + output: [rho_mob, rho_dip, gamma_sl, Lambda_sl, tau_pass, f_tw, Lambda_tw, tau_hat_tw, f_tr] diff --git a/examples/ConfigFiles/Phase_Dislotwin_Tungsten.config b/examples/ConfigFiles/Phase_Dislotwin_Tungsten.config deleted file mode 100644 index 30c04cb9a..000000000 --- a/examples/ConfigFiles/Phase_Dislotwin_Tungsten.config +++ /dev/null @@ -1,36 +0,0 @@ -[Tungsten] - -elasticity hooke -plasticity dislotwin - -### Material parameters ### -lattice_structure bcc -C11 523.0e9 # From Marinica et al. Journal of Physics: Condensed Matter(2013) -C12 202.0e9 -C44 161.0e9 - -grainsize 2.0e-5 # Average grain size [m] -SolidSolutionStrength 1.5e8 # Strength due to elements in solid solution - -### Dislocation glide parameters ### -#per family -Nslip 12 -slipburgers 2.72e-10 # Burgers vector of slip system [m] -rhoedge0 1.0e12 # Initial edge dislocation density [m/m**3] -rhoedgedip0 1.0 # Initial edged dipole dislocation density [m/m**3] -v0 1.0e-4 # Initial glide velocity [m/s] -Qedge 2.725e-19 # Activation energy for dislocation glide [J] -p_slip 0.78 # p-exponent in glide velocity -q_slip 1.58 # q-exponent in glide velocity -tau_peierls 2.03e9 # peierls stress (for bcc) -dipoleformationfactor 0 # to have hardening due to dipole formation off - -#hardening -CLambdaSlip 10.0 # Adj. parameter controlling dislocation mean free path -D0 4.0e-5 # Vacancy diffusion prefactor [m**2/s] -Qsd 4.5e-19 # Activation energy for climb [J] -Catomicvolume 1.0 # Adj. parameter controlling the atomic volume [in b] -Cedgedipmindistance 1.0 # Adj. parameter controlling the minimum dipole distance [in b] -interaction_slipslip 1 1 1.4 1.4 1.4 1.4 - - diff --git a/examples/ConfigFiles/Phase_Dislotwin_Tungsten.yaml b/examples/ConfigFiles/Phase_Dislotwin_Tungsten.yaml new file mode 100644 index 000000000..bbd6d0282 --- /dev/null +++ b/examples/ConfigFiles/Phase_Dislotwin_Tungsten.yaml @@ -0,0 +1,22 @@ +Tungsten: + lattice: cI + mechanics: + 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) + plasticity: + type: dislotwin + D: 2.0e-5 # Average grain size [m] + N_sl: [12] + b_sl: [2.72e-10] # Burgers vector of slip system [m] + rho_mob_0: [1.0e12] + rho_dip_0: [1.0] + v_0: [1.0e-4] # Initial glide velocity [m/s] + Q_s: [2.725e-19] # Activation energy for dislocation glide [J] + p_sl: [0.78] # p-exponent in glide velocity + q_sl: [1.58] # q-exponent in glide velocity + tau_0: [1.5e8] + i_sl: [10.0] # Adj. parameter controlling dislocation mean free path + D_0: 4.0e-5 # Vacancy diffusion prefactor [m**2/s] + D_a: 1.0 # Adj. parameter controlling the minimum dipole distance [in b] + Q_cl: 4.5e-19 # Activation energy for climb [J] + h_sl_sl: [1, 1, 1.4, 1.4, 1.4, 1.4] + no_dipole_formation: True diff --git a/python/tests/test_ConfigMaterial.py b/python/tests/test_ConfigMaterial.py index 6c316aeaa..5eb9a6c85 100644 --- a/python/tests/test_ConfigMaterial.py +++ b/python/tests/test_ConfigMaterial.py @@ -87,7 +87,6 @@ class TestConfigMaterial: def test_from_table(self): N = np.random.randint(3,10) 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 - print(a) t = Table(a,{'varying':1,'constant':4}) c = ConfigMaterial.from_table(t,**{'phase':'varying','O':'constant','homogenization':'4_constant'}) assert len(c['material']) == N