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converted two examples to yaml

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Sharan Roongta 2021-02-24 18:36:06 +01:00
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6 changed files with 64 additions and 102 deletions
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2
PRIVATE

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Subproject commit 5fe205710fe079c77d0b4fa142248804cbb91563 Subproject commit 48dd9972d9023caa8b04226112dcdd57fa0be6af

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examples/ConfigFiles/Phase_Dislotwin_TWIP-Steel-FeMnC.config
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[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

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examples/ConfigFiles/Phase_Dislotwin_TWIP-Steel-FeMnC.yaml Normal file
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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]

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examples/ConfigFiles/Phase_Dislotwin_Tungsten.config
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[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

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examples/ConfigFiles/Phase_Dislotwin_Tungsten.yaml Normal file
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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

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python/tests/test_ConfigMaterial.py
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def test_from_table(self): def test_from_table(self):
N = np.random.randint(3,10) 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 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}) t = Table(a,{'varying':1,'constant':4})
c = ConfigMaterial.from_table(t,**{'phase':'varying','O':'constant','homogenization':'4_constant'}) c = ConfigMaterial.from_table(t,**{'phase':'varying','O':'constant','homogenization':'4_constant'})
assert len(c['material']) == N assert len(c['material']) == N