new style examples

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Martin Diehl 2021-07-04 19:38:53 +02:00
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8 changed files with 83 additions and 65 deletions

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Subproject commit 89ee5ced410c0d7f50ef20e39080f2c637b1b0f7 Subproject commit 5bdddaab80eb42a04393d4cd85079ff83d5a6d53

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TWIP_Steel_FeMnC: type: dislotwin
lattice: cF output: [rho_mob, rho_dip, gamma_sl, Lambda_sl, tau_pass, f_tw, Lambda_tw, tau_hat_tw, f_tr]
mechanical: D: 2.0e-5
elastic: {type: Hooke, C_11: 175.0e+9, C_12: 115.0e+9, C_44: 135.0e+9} N_sl: [12]
plastic: b_sl: [2.56e-10]
type: dislotwin rho_mob_0: [1.0e+12]
output: [rho_mob, rho_dip, gamma_sl, Lambda_sl, tau_pass, f_tw, Lambda_tw, tau_hat_tw, f_tr] rho_dip_0: [1.0]
D: 2.0e-5 v_0: [1.0e+4]
N_sl: [12] Q_s: [3.7e-19]
b_sl: [2.56e-10] p_sl: [1.0]
rho_mob_0: [1.0e+12] q_sl: [1.0]
rho_dip_0: [1.0] tau_0: [1.5e+8]
v_0: [1.0e+4] i_sl: [10.0] # Adj. parameter controlling dislocation mean free path
Q_s: [3.7e-19] D_0: 4.0e-5 # Vacancy diffusion prefactor / m^2/s
p_sl: [1.0] D_a: 1.0 # minimum dipole distance / b
q_sl: [1.0] Q_cl: 4.5e-19 # Activation energy for climb / J
tau_0: [1.5e+8] h_sl-sl: [0.122, 0.122, 0.625, 0.07, 0.137, 0.137, 0.122] # Interaction coefficients (Kubin et al. 2008)
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 # minimum dipole distance / b
Q_cl: 4.5e-19 # Activation energy for climb / J
h_sl-sl: [0.122, 0.122, 0.625, 0.07, 0.137, 0.137, 0.122] # Interaction coefficients (Kubin et al. 2008)
# twinning parameters # twinning parameters
N_tw: [12] N_tw: [12]
b_tw: [1.47e-10] # Burgers vector length of twin system / b b_tw: [1.47e-10] # Burgers vector length of twin system / b
t_tw: [5.0e-8] # Twin stack mean thickness / m t_tw: [5.0e-8] # Twin stack mean thickness / m
L_tw: 442.0 # Length of twin nuclei / b L_tw: 442.0 # Length of twin nuclei / b
x_c_tw: 1.0e-9 # critical distance for formation of twin nucleus / m x_c_tw: 1.0e-9 # critical distance for formation of twin nucleus / m
V_cs: 1.67e-29 # cross slip volume / m^3 V_cs: 1.67e-29 # cross slip volume / m^3
p_tw: [10.0] # r-exponent in twin formation probability p_tw: [10.0] # r-exponent in twin formation probability
i_tw: 1.0 # Adj. parameter controlling twin mean free path 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_sl-tw: [0.0, 1.0, 1.0] # dislocation-twin interaction coefficients
h_tw-tw: [0.0, 1.0] # twin-twin interaction coefficients h_tw-tw: [0.0, 1.0] # twin-twin interaction coefficients
T_ref: 0.0 T_ref: 0.0
Gamma_sf: -0.0396 # stacking fault energy / J/m^2 at zero K; TWIP steel: -0.0526; Cu: -0.0396 Gamma_sf: -0.0396 # stacking fault energy / J/m^2 at zero K; TWIP steel: -0.0526; Cu: -0.0396
Gamma_sf,T: 0.0002 # temperature dependence / J/(m^2 K) of stacking fault energy Gamma_sf,T: 0.0002 # temperature dependence / J/(m^2 K) of stacking fault energy

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FreeSurface:
lattice: cI
mechanical:
output: [F, P, F_e, F_p, L_p]
elastic: {type: Hooke, C_11: 1.e+8, C_12: 1.e+6, C_44: 4.95e+7}
plastic:
type: isotropic
output: [xi]
xi_0: 0.3e+6
xi_inf: 0.6e+6
dot_gamma_0: 0.001
n: 5
M: 3
h_0: 1.e+6
a: 2
dilatation: True

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# M. Levy, Handbook of Elastic Properties of Solids, Liquids, and Gases (2001)
# C. Zambaldi, "Orientation informed nanoindentation of a-titanium: Indentation pileup in hexagonal metals deforming by prismatic slip", J. Mater. Res., Vol. 27, No. 1, Jan 14, 2012
# Better use values from L. Wang, Z. Zheng, H. Phukan, P. Kenesei, J.-S. Park, J. Lind, R.M. Suter, T.R. Bieler, Direct measurement of critical resolved shear stress of prismatic and basal slip in polycrystalline Ti using high energy X-ray diffraction microscopy, Acta Mater 2017
N_sl: [3, 3, 0, 6, 12]
a_sl: 2.0
dot_gamma_0_sl: 0.001
h_0_sl-sl: 200.e+6
h_sl-sl: [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1]
n_sl: 20
output: [gamma_sl]
type: phenopowerlaw
xi_0_sl: [0.15e+9, 0.09e+9, 0, 0.20e+9, 0.25e+9]
xi_inf_sl: [0.24e+9, 0.5e+9, 0, 0.6e+9, 0.8e+9]

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type: Hooke
references:
- D. Music et al.,
Applied Physics Letters, 99(19), 191904, 2007,
10.1063/1.2807677
- S.L. Wong et al.,
Acta Materialia, 118, 140-151, 2016,
10.1016/j.actamat.2016.07.032
C_11: 175.0e+9
C_12: 115.0e+9
C_44: 135.0e+9

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type: Hooke
references:
- T. Maiti et al.,
Scripta Materialia, 145, 37-40, 2018,
10.1016/j.scriptamat.2017.09.047
C_11: 1.e+8
C_12: 1.e+6
C_44: 4.95e+7

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type: isotropic
references:
- T. Maiti et al.,
Scripta Materialia, 145, 37-40, 2018,
10.1016/j.scriptamat.2017.09.047
output: [xi]
dot_gamma_0: 0.001
n: 20.
xi_0: 0.3e+6
xi_inf: 0.6e+6
a: 2.
h_0: 1.e+6
M: 1.
h: 1.
dilatation: True

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type: phenopowerlaw
- C. Zambaldi et al.,
Journal of Materials Research, 27(1), 356-367, 2021,
10.1557/jmr.2011.334
- L. Wang et al.,
Acta Materialia, 132, 598-610, 2017,
10.1016/j.actamat.2017.05.015
output: [gamma_sl]
N_sl: [3, 3, 0, 0, 12]
n_sl: 20
a_sl: 2.0
dot_gamma_0_sl: 0.001
h_0_sl-sl: 200.e+6
xi_0_sl: [349.e+6, 150.e+6, 0.0, 0.0, 1107.e+6]
xi_inf_sl: [568.e+6, 150.e+7, 0.0, 0.0, 3420.e+6]
# L. Wang et al.
# xi_0_sl: [127.e+6, 96.e+6, 0.0, 0.0, 240.e+6]
h_sl-sl: [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1]