phase#
phase is a dictionary of arbitrarily labeled keys.
Each phase entry requires a key lattice that specifies the lattice structure in Pearson notation.
At least the type of the employed constitutive model for each active field (mechanical/elastic, mechanical/plastic, mechanical/eigen, thermal/source(s), or damage) is required; any further configuration details depend on the selected constitutive model.
It is recommended to construct phase entries based on the Reference Examples (also included in config.tar.xz) rather than from scratch.
Detailed documentation of the configuration keywords is available for these constitutive models:
mechanical
The basic layout is sketched in the following:
phase:
label_1:
lattice: lattice_1
mechanical:
elastic:
type: tbd
...:
plastic:
type: tbd
...:
eigen:
type: tbd
...:
damage:
type: tbd
...:
thermal:
source:
- type: tbd
...:
- type: tbd
...:
label_2:
lattice: lattice_2
mechanical:
elastic:
type: tbd
...:
plastic:
type: tbd
...:
eigen:
type: tbd
...:
damage:
type: tbd
...:
thermal:
source
- type: tbd
...:
- type: tbd
...:
label_N:
...
Reference Examples#
AISI304#
references:
- H.M. Ledbetter,
physica status solidi (a) 85(1):89-96, 1984,
https://doi.org/10.1002/pssa.2210850111
lattice: cF
rho: 7937.0
Ag#
references:
- https://en.wikipedia.org/wiki/Silver
lattice: cF
rho: 10490.0
Al#
references:
- https://en.wikipedia.org/wiki/Aluminium
lattice: cF
rho: 2700.0
Au#
references:
- https://en.wikipedia.org/wiki/Gold
lattice: cF
rho: 19300.0
Cu#
references:
- https://en.wikipedia.org/wiki/Copper
lattice: cF
rho: 8960.0
Fe#
references:
- https://en.wikipedia.org/wiki/Iron
lattice: cI
rho: 7874.0
Mg#
references:
- D. Tromans,
International Journal of Recent Research and Applied Studies 6(4):462-483, 2011,
https://www.arpapress.com/Volumes/Vol6Issue4/IJRRAS_6_4_14.pdf
lattice: hP
c/a: 1.62350
rho: 1740.0
Ni#
references:
- https://en.wikipedia.org/wiki/Nickel
lattice: cF
rho: 8908.0
Pt#
references:
- https://en.wikipedia.org/wiki/Platinum
lattice: cF
rho: 21450.0
Sn-beta#
references:
- J.A. Rayne and B.S. Chandrasekhar,
Physical Review 120(5):1658-1663, 1960,
https://doi.org/10.1103/PhysRev.120.1658
- https://en.wikipedia.org/wiki/Tin
lattice: tI
c/a: 0.5458 # T=300K (c=31.83nm, a=5.832nm)
rho: 7265.0
Ti#
references:
- https://www.totalmateria.com/page.aspx?ID=CheckArticle&site=ktn&NM=221
- https://en.wikipedia.org/wiki/Titanium
lattice: hP
c/a: 1.587
rho: 4506.0
W#
references:
- https://en.wikipedia.org/wiki/Tungsten
lattice: cI
rho: 19300.0
bcc#
lattice: cI
bct#
lattice: tI
c/a: 0.55
fcc#
lattice: cF
hcp#
lattice: hP
c/a: 1.6333
damage#
anisobrittle_cubic#
type: anisobrittle
output: [f_phi]
N_cl: [3]
g_crit: [0.5e+7]
s_crit: [0.006666]
dot_o: 1.e-3
q: 20
l_c: 1.0
mu: 0.001
isobrittle_generic#
type: isobrittle
output: [f_phi]
G_crit: 1400000.0
l_c: 1.0
mu: 0.001
mechanical#
eigen#
thermalexpansion_AISI304#
type: thermalexpansion
references:
- R.H. Bogaard et al.,
Thermochimica Acta 218:373-393, 1993,
https://doi.org/10.1016/0040-6031(93)80437-F,
fit to Fig. 6 (T_min=100K, T_max=1400K)
A_11: 2.068e-08
A_11,T: 1.579e-09
A_11,T^2: 3.449e-13
T_ref: 293.15
thermalexpansion_Al#
type: thermalexpansion
references:
- https://en.wikipedia.org/wiki/Thermal_expansion,
293.15K
A_11: 23.1e-6
thermalexpansion_Au#
type: thermalexpansion
references:
- https://en.wikipedia.org/wiki/Thermal_expansion,
293.15K
A_11: 14.e-6
thermalexpansion_C35E#
type: thermalexpansion
references:
- https://commons.wikimedia.org/wiki/File:Coefficient_dilatation_lineique_aciers.svg,
fit to image description (Scilab code)
A_11: 12.70371e-6
A_11,T: 7.54e-9
A_11,T^2: -1.0e-11
T_ref: 273.0
thermalexpansion_Cu#
type: thermalexpansion
references:
- https://en.wikipedia.org/wiki/Thermal_expansion,
293.15K
A_11: 17.e-6
thermalexpansion_Fe#
type: thermalexpansion
references:
- https://en.wikipedia.org/wiki/Thermal_expansion,
293.15K
A_11: 11.8e-6
thermalexpansion_Sn-beta#
type: thermalexpansion
references:
- V.T. Deshpande and D.B. Sirdeshmukh,
Acta Crystallographica 15:294-295, 1962,
https://doi.org/10.1107/S0365110X62000742,
fit to Tab. 2 (T_min=30ºC, T_max=210ºC)
A_11: 1.639e-05
A_11,T: 1.799e-08
A_11,T^2: 1.734e-10
A_33: 3.263e-05
A_33,T: 1.387e-08
A_33,T^2: 5.794e-10
T_ref: 293.15
thermalexpansion_W#
type: thermalexpansion
references:
- https://en.wikipedia.org/wiki/Thermal_expansion,
293.15K
A_11: 4.5e-6
thermalexpansion_X20Cr13#
type: thermalexpansion
references:
- https://commons.wikimedia.org/wiki/File:Coefficient_dilatation_lineique_aciers.svg,
fit to image description (Scilab code)
A_11: 11.365e-6
A_11,T: 5.0e-9
T_ref: 273.0
elastic#
Hooke_AISI304#
type: Hooke
references:
- H.M. Ledbetter,
physica status solidi (a) 85(1):89-96, 1984,
https://doi.org/10.1002/pssa.2210850111
C_11: 204.6e+9
C_12: 137.7e+9
C_44: 126.2e+9
Hooke_Ag#
type: Hooke
references:
- J.R. Neighbours and G.A. Alers,
Physical Review 111:707-712, 1958,
https://doi.org/10.1103/PhysRev.111.707
- Y.A. Chang and L. Himmel,
Journal of Applied Physics 37:3567-3572, 1966,
https://doi.org/10.1063/1.1708903
C_11: 122.9e+9
C_11,T: -313.5e+5
C_11,T^2: -107.3e+2
C_12: 91.55e+9
C_12,T: -164.1e+5
C_12,T^2: -681.6e+1
C_44: 42.63e+9
C_44,T: -180.5e+5
C_44,T^2: -353.8e+1
T_ref: 300
Hooke_Al#
type: Hooke
references:
- G.N. Kamm and G.A. Alers,
Journal of Applied Physics 35:327-330, 1964,
https://doi.org/10.1063/1.1713309,
fit to Tab. I (T_min=100K, T_max=300K)
- D. Gerlich and E.S. Fisher,
Journal of Physics and Chemistry of Solids 30:1197-1205, 1969
https://doi.org/10.1016/0022-3697(69)90377-1,
fit to Tab. 2 (T_min=293K, T_max=900K)
C_11: 106.9e+9
C_11,T: -3.685e+7
C_11,T^2: -1.016e+4
C_12: 60.55e+9
C_12,T: -8.307e+6
C_12,T^2: -4.353e+3
C_44: 28.37e+9
C_44,T: -1.418e+7
C_44,T^2: -3.253e+3
T_ref: 293.15
Hooke_Au#
type: Hooke
references:
- J.P. Hirth and J. Lothe,
Theory of Dislocations, 1982,
John Wiley & Sons,
page 837
C_11: 186.e+9
C_12: 157.e+9
C_44: 42.e+9
Hooke_Cu#
type: Hooke
references:
- W.C. Overton, Jr. and J. Gaffney,
Physical Review 98(4):969-977, 1955,
https://doi.org/10.1103/PhysRev.98.969,
fit to Tab. I (T_min=100K, T_max=300K)
C_11: 168.6e+9
C_11,T: -3.779e+7
C_11,T^2: -2.536e+4
C_12: 121.5e+9
C_12,T: -1.632e+7
C_12,T^2: -1.116e+4
C_44: 75.59e+9
C_44,T: -2.912e+7
C_44,T^2: -1.669e+4
T_ref: 293.15
Hooke_Fe#
type: Hooke
references:
- D.J. Dever,
Journal of Applied Physics 43(8):3293-3301, 1972,
https://doi.org/10.1063/1.1661710
fit to Tab. II (T_min=25ºC, T_max=880ºC)
C_11: 232.1e+9
C_11,T: -4.678e+7
C_11,T^2: -5.762e+4
C_12: 135.9e+9
C_12,T: -1.695e+7
C_12,T^2: 1.555e+3
C_44: 117.0e+9
C_44,T: -2.047e+7
C_44,T^2: -2.814e+2
T_ref: 293.15
Hooke_IN625#
type: Hooke
references:
- Wang et al.,
Materials Science and Engineering:A 674:406-412, 2016,
https://doi.org/10.1016/j.msea.2016.08.010,
fitted to Tab. 2 (last 3 rows)
C_11: 243.3e+9
C_11,T: -6.380e+5
C_11,T^2: -8.362e+4
C_12: 156.7e+9
C_12,T: 2.091e+7
C_12,T^2: -4.675e+4
C_44: 117.8e+9
C_44,T: -3.800e+7
C_44,T^2: 1.587e+4
T_ref: 293.15
Hooke_Mg#
type: Hooke
references:
- L.J. Slutsky and C.W. Garland,
Physical Review 107(4):972-976, 1957,
https://doi.org/10.1103/PhysRev.107.972,
fit to Tab. I (T_min=100K, T_max=300K)
C_11: 59.50e+9
C_11,T: -1.930e+7
C_11,T^2: -1.215e+4
C_33: 61.72e+9
C_33,T: -2.175e+7
C_33,T^2: -5.624e+3
C_44: 16.46e+9
C_44,T: -1.006e+7
C_44,T^2: -7.692e+3
C_12: 25.62e+9
C_12,T: -2.216e+6
C_12,T^2: -4.138e+3
C_13: 21.46e+9
C_13,T: -1.921e+6
C_13,T^2: -4.283e+3
T_ref: 293.15
Hooke_Ni#
type: Hooke
references:
- G.A. Alers,
Journal of Physics and Chemistry of Solids 13(1-2):40-55, 1960,
https://doi.org/10.1016/0022-3697(60)90125-6,
fit to Tab. 2 (T_min=100K, T_max=700K)
C_11: 251.0e+9
C_11,T: -4.998e+7
C_11,T^2: -2.952e+4
C_12: 150.0e+9
C_12,T: -4.269e+6
C_12,T^2: -6.429e+3
C_44: 123.7e+9
C_44,T: -3.618e+7
C_44,T^2: -7.024e+3
T_ref: 293.15
Hooke_Pt#
type: Hooke
references:
- S.M. Collard and R.B. McLellan,
Acta Metallurgica et Materialia 40:699-702, 1992,
https://doi.org/10.1016/0956-7151(92)90011-3
C_11: 373.42e+9
C_11,T: -8.929e+7
C_11,T^2: -1.298e+5
C_11,T^3: 1.2807e+2
C_11,T^4: -4.6114e-2
C_12: 241.74e+9
C_12,T: 5.705e+7
C_12,T^2: 0.4511e+5
C_12,T^3: -0.4860e+2
C_12,T^4: 1.446e-2
C_44: 77.65e+9
C_44,T: -1.342e+7
C_44,T^2: -0.1493e+5
C_44,T^3: 0.1260e+2
C_44,T^4: -0.6470e-2
T_ref: 0
Hooke_SAE1050-martensite#
type: Hooke
references:
- S.A. Kim and W.L. Johnson,
Materials Science & Engineering A 452-453:633-639, 2007,
https://doi.org/10.1016/j.msea.2006.11.147
C_11: 268.1e+9
C_12: 111.2e+9
C_44: 79.06e+9
Hooke_Sn-beta#
type: Hooke
references:
- J.A. Rayne and B.S. Chandrasekhar,
Physical Review 120(5):1658-1663, 1960,
https://doi.org/10.1103/PhysRev.120.1658,
fit to Fig. 2 (T_min=100K, T_max=300K) and Tab. IV (C_13, T_min=77K, T_max=300K)
C_11: 72.90e+9
C_11,T: -4.399e+7
C_11,T^2: -2.645e+4
C_12: 59.27e+9
C_12,T: 1.058e+7
C_12,T^2: 1.002e+4
C_13: 35.80e+9
C_13,T: -2.870e+6
C_33: 88.78e+9
C_33,T: -5.250e+7
C_33,T^2: 3.546e+3
C_44: 22.26e+9
C_44,T: -1.982e+7
C_44,T^2: -8.711e+3
C_66: 24.18e+9
C_66,T: -1.806e+7
C_66,T^2: -4.112e+3
T_ref: 293.15
Hooke_TWIP-steel#
type: Hooke
references:
- D. Music et al.,
Applied Physics Letters 99(19):191904, 2007,
https://doi.org/10.1063/1.2807677
- S.L. Wong et al.,
Acta Materialia 118:140-151, 2016,
https://doi.org/10.1016/j.actamat.2016.07.032
C_11: 175.0e+9
C_12: 115.0e+9
C_44: 135.0e+9
Hooke_Ti#
type: Hooke
references:
- E.S. Fisher and C.J. Renken,
Physical Review 135(2A):A482-A494, 1964,
https://doi.org/10.1103/PhysRev.135.A482,
fit to Tab. IV (T_min=150K, T_max=250K)
- H. Ogi et al.,
Acta Materialia 52(7):2075-2080, 2004,
https://doi.org/10.1016/j.actamat.2004.01.002,
fit to Fig. 3 (T_min=300K, T_max=900K)
C_11: 162.6e+9
C_11,T: -6.150e+7
C_11,T^2: -5.557e+2
C_33: 183.3e+9
C_33,T: -1.655e+07
C_33,T^2: -1.022e+04
C_44: 45.80e+9
C_44,T: -2.936e+07
C_44,T^2: 7.120e+02
C_12: 89.97e+9
C_12,T: 2.776e+6
C_12,T^2: -2.389e+4
C_13: 69.53e+9
C_13,T: 1.057e+7
C_13,T^2: -2.966e+3
T_ref: 293.15
Hooke_W#
type: Hooke
references:
- F.H. Featherston and J.R. Nieghbours,
Physical Review 130(4):1324-1333,
https://doi.org/10.1103/PhysRev.130.1324,
fit to Tab. III (T_min=100K, T_max=300K)
C_11: 523.6e+9
C_11,T: -7.607e+7
C_11,T^2: -1.551e+5
C_12: 205.1e+9
C_12,T: -2.843e+6
C_44: 160.8e+9
C_44,T: -1.057e+7
C_44,T^2: 9.933e+3
T_ref: 293.15
Hooke_vanishing-Poisson-ratio#
type: Hooke
references:
- T. Maiti and P. Eisenlohr,
Scripta Materialia 145:37-40, 2018,
https://doi.org/10.1016/j.scriptamat.2017.09.047
C_11: 1.e+8
C_12: 1.e+6
C_44: 4.95e+7
plastic#
dislotungsten_W#
type: dislotungsten
references:
- D. Cereceda et al.,
International Journal of Plasticity 78:242-265, 2016,
http://dx.doi.org/10.1016/j.ijplas.2015.09.002
- R. Gröger et al.,
Acta Materialia 56(19):5412-5425, 2008,
https://doi.org/10.1016/j.actamat.2008.07.037
output: [Lambda_sl]
N_sl: [12]
b_sl: [2.72e-10]
rho_mob_0: [1.0e+9] # estimated from section 3.2
rho_dip_0: [1.0] # not given
Q_s: [2.61154e-19] # 1.63 eV, Delta_H0
B: [8.3e-5]
omega: [9.1e+11] # nu_0
p_sl: [0.86]
q_sl: [1.69]
tau_Peierls: [2.03e+9]
h: [2.566e-10]
h_sl-sl: [0.009, 0.72, 0.009, 0.05, 0.05, 0.06, 0.09]
w: [2.992e-09] # 11b
##values in Cereceda et al. are high, using parameters from Gröger et al.
a_nonSchmid: [0.0, 0.56, 0.75] # Table 2
##(almost) no annhilation, adjustment needed for simulations beyond the yield point
i_sl: [1] # c, eq. (25)
D: 1.0e+20 # d_g, eq. (25)
D_a: 1.0 # d_edge = D_a*b
##disable climb (not discussed in Cereceda et al.)
D_0: 0.0
f_at: 1
Q_cl: 1.0
dislotwin_IF-steel#
type: dislotwin
references:
- K. Sedighiani et al.,
International Journal of Plasticity 134:102779, 2020,
https://doi.org/10.1016/j.ijplas.2020.102779
- K. Sedighiani et al.,
Mechanics of Materials, 164:104117, 2022,
https://doi.org/10.1016/j.mechmat.2021.104117
output: [rho_dip, rho_mob]
N_sl: [12, 12]
b_sl: [2.49e-10, 2.49e-10]
rho_mob_0: [2.81e12, 2.8e+12]
rho_dip_0: [1.0, 1.0] # not given
v_0: [1.4e+3, 1.4e+3]
Q_sl: [1.57e-19, 1.57e-19] # Delta_F
tau_0: [454.e+6, 454.e+6]
p_sl: [0.325, 0.325]
q_sl: [1.55, 1.55]
i_sl: [23.3, 23.3]
D_a: 7.4 # C_anni
B: [0.001, 0.001]
h_sl-sl: [0.1, 0.72, 0.1, 0.053, 0.053, 0.073, 0.137, 0.72, 0.72, 0.053, 0.053, 0.053, 0.053, 0.073, 0.073, 0.073, 0.073, 0.073, 0.073, 0.137, 0.073, 0.073, 0.137, 0.073]
Q_cl: 5.4e-19 # no recovery!
D: 40.e-6 # estimated
dislotwin_alpha-Brass-shearbanding#
type: dislotwin
references:
- N. Jia et al.,
Acta Materialia 60(3):1099-1115, 2012,
https://doi.org/10.1016/j.actamat.2011.10.047
- N. Jia et al.,
Acta Materialia 60:3415-3434, 2012,
https://doi.org/10.1016/j.actamat.2012.03.005
gamma_0_sb: 0.0001
tau_sb: 180.0e6 # tau_hat_sb
Q_sb: 4.0e-19 # Q_0
p_sb: 1.15
q_sb: 1.0
isotropic_free-surface#
type: isotropic
references:
- T. Maiti and P. Eisenlohr,
Scripta Materialia 145:37-40, 2018,
https://doi.org/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
nonlocal_Al#
type: nonlocal
references:
- C. Kords,
On the role of dislocation transport in the constitutive description of crystal plasticity,
RWTH Aachen 2013,
http://publications.rwth-aachen.de/record/229993/files/4862.pdf
output: [rho_u_ed_pos, rho_b_ed_pos, rho_u_ed_neg, rho_b_ed_neg, rho_u_sc_pos, rho_b_sc_pos, rho_u_sc_neg, rho_b_sc_neg, rho_d_ed, rho_d_sc]
N_sl: [12]
b_sl: [2.86e-10]
V_at: 0.017e-27 # Omega
d_ed: [1.6e-9]
d_sc: [10.e-9]
i_sl: [60] # k_2 (lambda_0 in Tab. 7.1)
f_ed_mult: 0.1 # k_1
rho_u_ed_neg_0: [1.25e9] # 6e10 / (12*4)
rho_u_ed_pos_0: [1.25e9] # 6e10 / (12*4)
rho_u_sc_neg_0: [1.25e9] # 6e10 / (12*4)
rho_u_sc_pos_0: [1.25e9] # 6e10 / (12*4)
rho_d_ed_0: [0]
rho_d_sc_0: [0]
D_0: 7.e-29
Q_cl: 0.0 # no temperature dependency
Q_sol: 2.00272e-19 # 1.25 eV
c_sol: 1.5e-6 # correct unit?
f_sol: 2.0 # d_obst in multiples of b
tau_Peierls_ed: [.1e6]
tau_Peierls_sc: [.1e6]
w: 10 # w_k in multiple of b
p_sl: 1
q_sl: 1
nu_a: 50.e+9
B: 1.e-2
f_ed: 1.0 # k_3
h_sl-sl: [0, 0, 0.625, 0.07, 0.137, 0.137, 0.122] # Table 3.4
chi_GB: 0.0 # full blocking at GB
chi_surface: 1.0 # no blocking at surface
f_F: 0.0 # no line tension correction
sigma_rho_u: 0 # no random distribution
short_range_stress_correction: false
rho_significant: 1.e6
nonlocal_Ni#
type: nonlocal
references:
- C. Kords,
On the role of dislocation transport in the constitutive description of crystal plasticity,
RWTH Aachen 2013,
http://publications.rwth-aachen.de/record/229993/files/4862.pdf
output: [rho_u_ed_pos, rho_b_ed_pos, rho_u_ed_neg, rho_b_ed_neg, rho_u_sc_pos, rho_b_sc_pos, rho_u_sc_neg, rho_b_sc_neg, rho_d_ed, rho_d_sc]
N_sl: [12]
b_sl: [2.48e-10]
V_at: 0.012e-27 # Omega
d_ed: [2.6e-9]
d_sc: [12.e-9]
i_sl: [45] # k_2
f_ed_mult: 0.1 # k_1
rho_u_ed_neg_0: [6.e+10] # 2.88e12 / (12*4)
rho_u_ed_pos_0: [6.e+10] # 2.88e12 / (12*4)
rho_u_sc_neg_0: [6.e+10] # 2.88e12 / (12*4)
rho_u_sc_pos_0: [6.e+10] # 2.88e12 / (12*4)
rho_d_ed_0: [0]
rho_d_sc_0: [0]
D_0: 3.e-53
Q_cl: 0.0 # no temperature dependency
Q_sol: 1.79444e-19 # 1.12 eV
c_sol: 5.e-7 # correct unit?
f_sol: 1. # d_obst
tau_Peierls_ed: [.1e6]
tau_Peierls_sc: [.1e6]
w: 10 # w_k
p_sl: 1
q_sl: 1
nu_a: 50.e+9
B: 1.e-3
f_ed: 0.01 # k_3
h_sl-sl: [0, 0, 0.625, 0.07, 0.137, 0.137, 0.122] # Table 3.4
chi_GB: 0.0 # full blocking at GB
chi_surface: 1.0 # no blocking at surface
f_F: 0.0 # no line tension correction
sigma_rho_u: 0 # no random distribution
short_range_stress_correction: false
rho_significant: 1.e6
phenopowerlaw_Al#
type: phenopowerlaw
references:
- W.F. Hosford et al.,
Acta Metallurgica 8(3):187-199, 1960,
https://doi.org/10.1016/0001-6160(60)90127-9,
fitted from Fig. 5
- U.F. Kocks,
Metallurgical and Materials Transactions B 1:1121–1143, 1970,
https://doi.org/10.1007/BF02900224
output: [xi_sl, gamma_sl]
N_sl: [12]
n_sl: 20
a_sl: 3.1
h_0_sl-sl: 1.7e+8
xi_0_sl: [5.0e+6]
xi_inf_sl: [37.5e+6]
h_sl-sl: [1, 1, 1.4, 1.4, 1.4, 1.4, 1.4]
dot_gamma_0_sl: 7.5e-5
phenopowerlaw_Au#
type: phenopowerlaw
references:
- D. Ma et al.,
Acta Materialia 103:796-808, 2016,
https://doi.org/10.1016/j.actamat.2015.11.016
- I. Kovács and G.Vörös,
International Journal of Plasticity 12:35-43, 1996,
https://doi.org/10.1016/S0749-6419(95)00043-7
- U.F. Kocks,
Metallurgical and Materials Transactions B 1:1121–1143, 1970,
https://doi.org/10.1007/BF02900224
output: [xi_sl, gamma_sl]
N_sl: [12]
n_sl: 83.3
a_sl: 1.0
h_0_sl-sl: 75.0e+6
xi_0_sl: [26.25e+6]
xi_inf_sl: [53.0e+6]
h_sl-sl: [1, 1, 1.4, 1.4, 1.4, 1.4, 1.4]
dot_gamma_0_sl: 0.001
phenopowerlaw_Cu#
type: phenopowerlaw
references:
- T Takeuchi,
Transactions of the Japan Institute of Metals 16(10):629-640, 1975,
https://doi.org/10.2320/matertrans1960.16.629,
fitted from Fig. 3b
- U.F. Kocks,
Metallurgical and Materials Transactions B 1:1121–1143, 1970,
https://doi.org/10.1007/BF02900224
output: [xi_sl, gamma_sl]
N_sl: [12]
n_sl: 20
a_sl: 1.0
h_0_sl-sl: 2.4e+8
xi_0_sl: [1.5e+6]
xi_inf_sl: [112.5e+6]
h_sl-sl: [1, 1, 1.4, 1.4, 1.4, 1.4, 1.4]
dot_gamma_0_sl: 3.e-3
phenopowerlaw_DP-steel-ferrite#
type: phenopowerlaw
references:
- C.C. Tasan et al.,
Acta Materialia 81:386-400, 2014,
https://doi.org/10.1016/j.actamat.2014.07.071
- U.F. Kocks,
Metallurgical and Materials Transactions B 1:1121–1143, 1970,
https://doi.org/10.1007/BF02900224
output: [xi_sl, gamma_sl]
N_sl: [12, 12]
n_sl: 20
a_sl: 2.25
h_0_sl-sl: 1.0e+9
xi_0_sl: [95.e+6, 96.e+6]
xi_inf_sl: [222.e+6, 412.e+6]
h_sl-sl: [1, 1.4, 1, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4]
dot_gamma_0_sl: 0.001
phenopowerlaw_Mg#
type: phenopowerlaw
references:
- F. Wang et al.,
Acta Materialia 80:77-93, 2014,
https://doi.org/10.1016/j.actamat.2014.07.048
output: [xi_sl, xi_tw]
N_sl: [3, 3, 6, 0, 6] # basal, prism, 1. pyr<a>, -, 2. pyr<c+a>
N_tw: [6, 0, 6] # tension, -, compression
xi_0_sl: [10.e+6, 55.e+6, 60.e+6, 0., 60.e+6]
xi_inf_sl: [40.e+6, 135.e+6, 150.e+6, 0., 150.e+6]
xi_0_tw: [40.e+6, 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
h_0_sl-sl: 500.0e+6
h_0_tw-tw: 50.0e+6
h_0_tw-sl: 150.0e+6
h_sl-sl: [+1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0,
+1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, -1.0,
-1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0,
-1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0,
-1.0, -1.0, -1.0, -1.0, -1.0, -1.0, 1.0, 1.0, 1.0, 1.0,
+1.0, 1.0, -1.0, -1.0, -1.0, -1.0, 1.0, 1.0, 1.0, 1.0,
-1.0, -1.0, -1.0, -1.0, 1.0, 1.0, 1.0, 1.0, 1.0] # unused entries are indicated by -1.0
h_tw-tw: [+1.0, 1.0, -1.0, -1.0, -1.0, -1.0, 1.0, -1.0, 1.0, 1.0,
-1.0, 1.0] # unused entries are indicated by -1.0
h_tw-sl: [1.0, -1.0, 1.0, -1.0, 1.0, -1.0, 1.0, -1.0, 1.0, -1.0,
1.0, -1.0, -1.0, -1.0, -1.0, -1.0, +1.0, -1.0, 1.0, -1.0] # unused entries are indicated by -1.0
h_sl-tw: [1.0, -1.0, 1.0, -1.0, 1.0, -1.0, 1.0, -1.0, 1.0, -1.0,
1.0, -1.0, -1.0, -1.0, -1.0, -1.0, +1.0, -1.0, 1.0] # unused entries are indicated by -1.0
phenopowerlaw_Pt-5%Cu#
type: phenopowerlaw
references:
- K.M. Jackson and C. Lang,
Platinum Metals Review 50:15-19, 2006,
https://doi.org/10.1595/147106705X93359,
fitted from Fig. 5 (Pt-5% Cu recrystallised)
- U.F. Kocks,
Metallurgical and Materials Transactions B 1:1121–1143, 1970,
https://doi.org/10.1007/BF02900224
N_sl: [12]
n_sl: 1.6
a_sl: 0.8
h_0_sl-sl: 300.0e+6
xi_0_sl: [150.0e+6]
xi_inf_sl: [500.0e+6]
h_sl-sl: [1, 1, 1.4, 1.4, 1.4, 1.4, 1.4]
dot_gamma_0_sl: 0.0001
phenopowerlaw_Sn-beta#
type: phenopowerlaw
references:
- A. Chakraborty and P. Eisenlohr,
Journal of Applied Physics 124:025302, 2018,
https://doi.org/10.1063/1.5029933
output: [xi_sl, gamma_sl]
N_sl: [2, 2, 2, 4, 2, 4, 2, 2, 4, 0, 0, 8]
n_sl: 6.0
a_sl: 2.0
h_0_sl-sl: 20.0e+6
xi_0_sl: [8.5e+6, 4.3e+6, 10.4e+6, 4.5e+6, 5.6e+6, 5.1e+6, 7.4e+6, 15.0e+6, 6.6e+6, 0.0, 0.0, 12.0e+6]
xi_inf_sl: [11.0e+6, 9.0e+6, 11.0e+6, 9.0e+6, 10.0e+6, 10.0e+6, 10.0e+6, 10.0e+6, 9.0e+6, 0.0, 0.0, 13.0e+6]
h_sl-sl: [+1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0,
+1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0,
+1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0,
+1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0,
+1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, # 50
+1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0,
+1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0,
+1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0,
+1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0,
-1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, # 100
-1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0,
-1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0,
-1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0,
-1.0, -1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0,
+1.0, -1.0, -1.0, 1.0, 1.0, -1.0, -1.0, 1.0, 1.0, 1.0, # 150
+1.0, 1.0, 1.0, 1.0, 1.0, 1.0] # unused entries are indicated by -1.0
dot_gamma_0_sl: 2.6e-8
phenopowerlaw_Ti#
type: phenopowerlaw
references:
- C. Zambaldi et al.,
Journal of Materials Research 27(1):356-367, 2021,
https://doi.org/10.1557/jmr.2011.334
- L. Wang et al.,
Acta Materialia 132:598-610, 2017,
https://doi.org/10.1016/j.actamat.2017.05.015
output: [gamma_sl]
N_sl: [3, 3, 0, 12] # basal, prism, -, 1. pyr<c+a>
n_sl: 20
a_sl: 2.0
dot_gamma_0_sl: 0.001
h_0_sl-sl: 200.e+6
##C. Zambaldi et al.:
xi_0_sl: [349.e+6, 150.e+6, 0.0, 1107.e+6]
xi_inf_sl: [568.e+6, 150.e+7, 0.0, 3420.e+6]
##L. Wang et al. :
##xi_0_sl: [127.e+6, 96.e+6, 0.0, 240.e+6]
h_sl-sl: [+1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, -1.0, -1.0,
-1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, 1.0,
+1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0,
+1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0,
+1.0, 1.0, 1.0, 1.0, 1.0, 1.0] # unused entries are indicated by -1.0
thermal#
AISI304#
references:
- B.F. Blackwell et al.
Proceedings of 34th National Heat Transfer Conference 2000
https://www.osti.gov/servlets/purl/760791
- R.H. Bogaard et al.
Thermochimica Acta 218:373-393, 1993
https://doi.org/10.1016/0040-6031(93)80437-F
C_p: 470.0
K_11: 14.34
Al#
references:
- J.G. Hust and A.B. Lankford,
Thermal Conductivity of Aluminum, Copper, Iron, and Tungsten from 1K to the Melting Point,
US Department of Commerce, Boulder, Colorado, 1984,
fit to Tab. 3.4.1 (RRR=1000, T_min=200K, T_max=900K)
- https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html
output: [T]
K_11: 2.380e+2
K_11,T: 2.068e-3
K_11,T^2: -7.765e-5
T_ref: 293.15
C_p: 910.0
Au#
references:
- https://de.wikipedia.org/wiki/Gold
C_p: 128.0
K_11: 320.0
Cu#
references:
- J.G. Hust and A.B. Lankford,
Thermal Conductivity of Aluminum, Copper, Iron, and Tungsten from 1K to the Melting Point,
US Department of Commerce, Boulder, Colorado, 1984,
fit to Tab. 2.4.1 (RRR=1000, T_min=200K, T_max=1000K)
- https://www.mit.edu/~6.777/matprops/copper.htm
output: [T]
K_11: 4.039e+2
K_11,T: -8.119e-2
K_11,T^2: 1.454e-5
T_ref: 293.15
C_p: 385.0
Fe#
references:
- J.G. Hust and A.B. Lankford,
Thermal Conductivity of Aluminum, Copper, Iron, and Tungsten from 1K to the Melting Point,
US Department of Commerce, Boulder, Colorado, 1984,
fit to Tab. 4.4.1 (RRR=300, T_min=200K, T_max=1000K)
- https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html
output: [T]
K_11: 8.055e+1
K_11,T: -1.051e-1
K_11,T^2: 5.464e-5
T_ref: 293.15
C_p: 450.0
Ni#
references:
- Y.S. Touloukian et al.,
TPRC Data Series Volume 1. Thermal conductivity - metallic elements and alloys,
IFI/Plenum, 1970,
fit to Tab. 35R (T_min=150K, T_max=500K)
- https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html
output: [T]
K_11: 9.132e+1
K_11,T: -1.525e-1
K_11,T^2: 3.053e-4
T_ref: 293.15
C_p: 440.0
Sn-beta#
references:
- Y.S. Touloukian et al.,
TPRC Data Series Volume 1. Thermal conductivity - metallic elements and alloys,
IFI/Plenum, 1970,
fit to Tab. 61R (T_min=100K, T_max=400K)
- https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html
output: [T]
K_11: 7.414e+1
K_11,T: -6.465e-2
K_11,T^2: 2.066e-4
K_33: 5.147e+1
K_33,T: -4.506e-2
K_33,T^2: 1.435e-4
T_ref: 293.15
C_p: 210.0
W#
references:
- J.G. Hust and A.B. Lankford,
Thermal Conductivity of Aluminum, Copper, Iron, and Tungsten from 1K to the Melting Point,
US Department of Commerce, Boulder, Colorado, 1984,
fit to Tab. 5.4.1 (RRR=300, T_min=200K, T_max=1000K)
- https://www.mit.edu/~6.777/matprops/tungsten.htm
output: [T]
K_11: 1.758e+2
K_11,T: -1.605e-1
K_11,T^2: 1.160e-4
T_ref: 293.15
C_p: 132.51
adiabatic#
C_p: 1
K_11: 0
K_33: 0
fast-convection#
C_p: 1
K_11: 1.e+30
K_33: 1.e+30
steel-0.5C#
references:
- https://www.engineeringtoolbox.com/thermal-conductivity-metals-d_858.html
- https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html
C_p: 490.0
K_11: 54.0
source#
dissipation_generic#
type: dissipation
kappa: .9
externalheat_ramp-and-hold#
type: externalheat
f_T: [1, 1, 0, 0]
t_n: [0, 500, 500.001, 1000]