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modular config with references

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Martin Diehl 2021-07-02 07:45:24 +02:00
parent 30fb257c40
commit daf7b4f2ab
7 changed files with 48 additions and 73 deletions
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PRIVATE

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Subproject commit 1361c4a9f090a76dfcec5bd6dd4eb5e3b4b78cb2
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examples/config/Phase_Dislotwin_TWIP-Steel-FeMnC.yaml
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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)
# shear band parameters
xi_sb: 180.0e+6
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 length of twin system / b

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examples/config/Phase_Dislotwin_Tungsten.yaml
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Tungsten:
lattice: cI
mechanical:
elastic: {type: Hooke, C_11: 523.0e+9, C_12: 202.0e+9, C_44: 161.0e+9} # Marinica et al. Journal of Physics: Condensed Matter(2013)
plastic:
type: dislotwin
D: 2.0e-5 # Average grain size / m
N_sl: [12]
b_sl: [2.72e-10] # Burgers vector length of slip families / m
rho_mob_0: [1.0e+12]
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: [1.5e+8] # solid solution strength / Pa
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: [1, 1.4, 1, 1.4, 1.4, 1.4, 1.4]

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examples/config/Phase_Phenopowerlaw_Magnesium.yaml
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# Tromans 2011, Elastic Anisotropy of HCP Metal Crystals and Polycrystals
Magnesium:
lattice: hP
c/a: 1.62350
mechanical:
output: [F, P, F_e, F_p, L_p, O]
elastic: {C_11: 59.3e+9, C_12: 25.7e+9, C_13: 21.4e+9, C_33: 61.5e+9, C_44: 16.4e+9, type: Hooke}
plastic:
N_sl: [3, 3, 0, 6, 0, 6]
N_tw: [6, 0, 0, 6]
h_0_tw-tw: 50.0e+6
h_0_sl-sl: 500.0e+6
h_0_tw-sl: 150.0e+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]
h_tw-tw: [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1]
h_sl-tw: [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1]
h_tw-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]
output: [xi_sl, xi_tw]
type: phenopowerlaw
xi_0_sl: [10.e+6, 55.e+6, 0., 60.e+6, 0., 60.e+6]
xi_inf_sl: [40.e+6, 135.e+6, 0., 150.e+6, 0., 150.e+6]
xi_0_tw: [40.e+6, 0., 0., 60.e+6]
a_sl: 2.25
dot_gamma_0_sl: 0.001
dot_gamma_0_tw: 0.001
n_sl: 20
n_tw: 20
f_sat_sl-tw: 10.0
N_sl: [3, 3, 0, 6, 0, 6]
N_tw: [6, 0, 0, 6]
h_0_tw-tw: 50.0e+6
h_0_sl-sl: 500.0e+6
h_0_tw-sl: 150.0e+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]
h_tw-tw: [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1]
h_sl-tw: [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1]
h_tw-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]
output: [xi_sl, xi_tw]
type: phenopowerlaw
xi_0_sl: [10.e+6, 55.e+6, 0., 60.e+6, 0., 60.e+6]
xi_inf_sl: [40.e+6, 135.e+6, 0., 150.e+6, 0., 150.e+6]
xi_0_tw: [40.e+6, 0., 0., 60.e+6]
a_sl: 2.25
dot_gamma_0_sl: 0.001
dot_gamma_0_tw: 0.001
n_sl: 20
n_tw: 20
f_sat_sl-tw: 10.0

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examples/config/Phase_Phenopowerlaw_cpTi.yaml
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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
cpTi:
lattice: hP
c/a: 1.587
mechanical:
output: [F, P, F_e, F_p, L_p, O]
elastic: {C_11: 160.0e+9, C_12: 90.0e+9, C_13: 66.0e+9, C_33: 181.7e+9, C_44: 46.5e+9, type: Hooke}
plastic:
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]
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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examples/config/phase/Mg.yaml Normal file
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references:
- D. Tromans,
International Journal of Recent Research and Applied Studies 6(4), 462-483, 2011,
www.arpapress.com/Volumes/Vol6Issue4/IJRRAS_6_4_14.pdf
lattice: hP
c/a: 1.62350
rho: 1740.0

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examples/config/phase/mechanical/elastic/Hooke_Mg.yaml Normal file
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type: Hooke
references:
- D. Tromans,
International Journal of Recent Research and Applied Studies 6(4), 462-483, 2011,
www.arpapress.com/Volumes/Vol6Issue4/IJRRAS_6_4_14.pdf
C_11: 59.3e+9
C_33: 61.5e+9
C_44: 16.4e+9
C_12: 25.7e+9
C_13: 21.4e+9