polishing

This commit is contained in:
Martin Diehl 2022-02-12 18:41:59 +01:00
parent cdabdb9882
commit 4d808335de
57 changed files with 156 additions and 32 deletions

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@ -1,6 +1,7 @@
references:
- H.M. Ledbetter
physica status solidi (a) 85(1):89-96, 1984
- H.M. Ledbetter,
physica status solidi (a) 85(1):89-96, 1984,
https://doi.org/10.1002/pssa.2210850111
lattice: cF
rho: 7937.0

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@ -1,4 +1,5 @@
references:
- https://en.wikipedia.org/wiki/Silver
lattice: cF
rho: 10490.0

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@ -1,4 +1,5 @@
references:
- https://en.wikipedia.org/wiki/Aluminium
lattice: cF
rho: 2700.0

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@ -1,4 +1,5 @@
references:
- https://en.wikipedia.org/wiki/Gold
lattice: cF
rho: 19300.0

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@ -1,4 +1,5 @@
references:
- https://en.wikipedia.org/wiki/Copper
lattice: cF
rho: 8960.0

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@ -1,4 +1,5 @@
references:
- https://en.wikipedia.org/wiki/Iron
lattice: cI
rho: 7874.0

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@ -2,6 +2,7 @@ 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

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@ -1,4 +1,5 @@
references:
- https://en.wikipedia.org/wiki/Nickel
lattice: cF
rho: 8908.0

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@ -3,6 +3,7 @@ references:
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

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@ -1,6 +1,7 @@
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

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@ -1,4 +1,5 @@
references:
- https://en.wikipedia.org/wiki/Tungsten
lattice: cI
rho: 19300.0

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@ -1,11 +1,13 @@
type: anisobrittle
output: [f_phi]
N_cl: [3]
g_crit: [0.5e+7]
s_crit: [0.006666]
dot_o: 1.e-3
q: 20
output: [f_phi]
D_11: 1.0
mu: 0.001

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@ -1,7 +1,7 @@
type: isobrittle
W_crit: 1400000.0
output: [f_phi]
W_crit: 1400000.0
D_11: 1.0
mu: 0.001

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@ -1,7 +1,9 @@
type: thermalexpansion
references:
- R.H. Bogaard et al.
Thermochimica Acta 218:373-393, 1993
- R.H. Bogaard et al.,
Thermochimica Acta 218:373-393, 1993,
https://doi.org/10.1016/0040-6031(93)80437-F
A_11: 15.0e-6
T_ref: 300.0

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@ -1,5 +1,7 @@
type: thermalexpansion
references:
- https://en.wikipedia.org/wiki/Thermal_expansion
A_11: 23.1e-6
T_ref: 293.15

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@ -1,5 +1,7 @@
type: thermalexpansion
references:
- https://en.wikipedia.org/wiki/Thermal_expansion
A_11: 14.e-6
T_ref: 293.15

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@ -1,8 +1,11 @@
type: thermalexpansion
references:
- https://commons.wikimedia.org/wiki/File:Coefficient_dilatation_lineique_aciers.svg,
fitted from image description (Scilab code)
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

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@ -1,5 +1,7 @@
type: thermalexpansion
references:
- https://en.wikipedia.org/wiki/Thermal_expansion
A_11: 17.e-6
T_ref: 293.15

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@ -1,5 +1,7 @@
type: thermalexpansion
references:
- https://en.wikipedia.org/wiki/Thermal_expansion
A_11: 11.8e-6
T_ref: 293.15

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@ -1,13 +1,17 @@
type: thermalexpansion
references:
- V.T. Deshpande and D.B. Sirdeshmukh,
Acta Crystallographica 15:294-295, 1962,
https://doi.org/10.1107/S0365110X62000742,
fitted from Tab. 2
fit to Tab. 2
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

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@ -1,5 +1,7 @@
type: thermalexpansion
references:
- https://en.wikipedia.org/wiki/Thermal_expansion
A_11: 4.5e-6
T_ref: 293.15

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@ -1,7 +1,10 @@
type: thermalexpansion
references:
- https://commons.wikimedia.org/wiki/File:Coefficient_dilatation_lineique_aciers.svg
fitted from image description (Scilab code)
- 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

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@ -1,8 +1,10 @@
type: Hooke
references:
- H.M. Ledbetter
physica status solidi (a) 85(1):89-96, 1984
- 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

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@ -1,4 +1,5 @@
type: Hooke
references:
- J.R. Neighbours and G.A. Alers,
Physical Review 111:707-712, 1958,
@ -7,8 +8,6 @@ references:
Journal of Applied Physics 37:3567-3572, 1966,
https://doi.org/10.1063/1.1708903
T_ref: 300
C_11: 122.9e+9
C_11,T: -313.5e+5
C_11,T^2: -107.3e+2
@ -20,3 +19,5 @@ 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

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@ -1,4 +1,5 @@
type: Hooke
references:
- G.N. Kamm and G.A. Alers,
Journal of Applied Physics 35:327-330, 1964,
@ -7,8 +8,6 @@ references:
Journal of Physics and Chemistry of Solids 30:1197-1205, 1969
https://doi.org/10.1016/0022-3697(69)90377-1
T_ref: 300
C_11: 106.1e+9
C_11,T: -359.3e+5
C_11,T^2: -152.7e+2
@ -20,3 +19,5 @@ C_12,T^2: -551.3e+1
C_44: 24.31e+9
C_44,T: -142.9e+5
C_44,T^2: -404.6e+1
T_ref: 300

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@ -1,9 +1,11 @@
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

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@ -1,7 +1,9 @@
type: Hooke
references:
- https://www.mit.edu/~6.777/matprops/copper.htm,
fixed typo
C_11: 168.3e+9
C_12: 122.1e+9
C_44: 75.7e+9

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@ -1,11 +1,10 @@
type: Hooke
references:
- D.J. Dever,
Journal of Applied Physics 43(8):3293-3301, 1972,
https://doi.org/10.1063/1.1661710
T_ref: 300
C_11: 231.7e+9
C_11,T: -47.6e+6
C_11,T^2: -54.4e+3
@ -17,3 +16,5 @@ C_12,T^2: -7.3e+3
C_44: 116.8e+9
C_44,T: -19.4e+6
C_44,T^2: -2.5e+3
T_ref: 300

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@ -1,8 +1,10 @@
type: Hooke
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
C_11: 59.3e+9
C_33: 61.5e+9
C_44: 16.4e+9

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@ -1,9 +1,11 @@
type: Hooke
references:
- J.P. Hirth and J. Lothe,
Theory of Dislocations, 1982,
John Wiley & Sons,
page 837
C_11: 246.5e+9
C_12: 147.3e+9
C_44: 124.7e+9

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@ -1,8 +1,10 @@
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

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@ -1,25 +1,33 @@
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,
fitted from Fig. 2 and Tab. IV (C_13)
fit to Fig. 2 and Tab. IV (C_13)
C_11: 72.89e+9
C_11,T: -4.479e+7
C_11,T^2: -3.149e+4
C_12: 59.27e+9
C_12,T: 1.110e+7
C_12,T^2: 1.300e+4
C_13: 35.97e+9
C_13,T: -2.638e+7
C_13,T^2: -1.123e+5
C_33: 88.77e+10
C_33,T: -5.361e+7
C_33,T^2: -2.770e+3
C_44: 22.26e+9
C_44,T: -1.994e+7
C_44,T^2: -9.519e+3
C_66: 24.17e+9
C_66,T: -1.919e+7
C_66,T^2: -1.161e+4
T_ref: 293.15

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@ -1,4 +1,5 @@
type: Hooke
references:
- D. Music et al.,
Applied Physics Letters 99(19):191904, 2007,
@ -6,6 +7,7 @@ references:
- 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

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@ -1,8 +1,10 @@
type: Hooke
references:
- L. Wang et al.,
Acta Materialia 132:598-610, 2017,
https://doi.org/10.1016/j.actamat.2017.05.015
C_11: 162.4e+9
C_33: 181.6e+9
C_44: 47.2e+9

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@ -1,8 +1,10 @@
type: Hooke
references:
- D. Cereceda et al.,
International Journal of Plasticity 78:242-265, 2016,
https://doi.org/10.1016/j.ijplas.2015.09.002
C_11: 523.e+9
C_12: 202.e+9
C_44: 161.e+9

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@ -1,8 +1,10 @@
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

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@ -1,4 +1,5 @@
type: dislotungsten
references:
- D. Cereceda et al.,
International Journal of Plasticity 78:242-265, 2016,
@ -6,8 +7,11 @@ references:
- 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

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@ -1,4 +1,5 @@
type: dislotwin
references:
- K. Sedighiani et al.,
International Journal of Plasticity 134:102779, 2020,
@ -6,8 +7,11 @@ references:
- 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

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@ -1,9 +1,12 @@
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

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@ -1,10 +1,13 @@
type: nonlocal
references:
C. Kords,
- 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]

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@ -1,10 +1,13 @@
type: nonlocal
references:
C. Kords,
- 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]

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@ -1,4 +1,5 @@
type: phenopowerlaw
references:
- W.F. Hosford et al.,
Acta Metallurgica 8(3):187-199, 1960,
@ -7,8 +8,11 @@ references:
- U.F. Kocks,
Metallurgical and Materials Transactions B 1:11211143, 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

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@ -1,4 +1,5 @@
type: phenopowerlaw
references:
- D. Ma et al.,
Acta Materialia 103:796-808, 2016,
@ -9,8 +10,11 @@ references:
- U.F. Kocks,
Metallurgical and Materials Transactions B 1:11211143, 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

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@ -1,4 +1,5 @@
type: phenopowerlaw
references:
- T Takeuchi,
Transactions of the Japan Institute of Metals 16(10):629-640, 1975,
@ -7,8 +8,11 @@ references:
- U.F. Kocks,
Metallurgical and Materials Transactions B 1:11211143, 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

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@ -1,4 +1,5 @@
type: phenopowerlaw
references:
- C.C. Tasan et al.,
Acta Materialia 81:386-400, 2014,
@ -6,8 +7,11 @@ references:
- U.F. Kocks,
Metallurgical and Materials Transactions B 1:11211143, 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

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@ -1,4 +1,5 @@
type: phenopowerlaw
references:
- F. Wang et al.,
Acta Materialia 80:77-93, 2014,

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@ -1,10 +1,14 @@
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

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@ -1,4 +1,5 @@
type: phenopowerlaw
references:
- C. Zambaldi et al.,
Journal of Materials Research 27(1):356-367, 2021,
@ -6,9 +7,11 @@ references:
- 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

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@ -5,5 +5,6 @@ references:
- 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

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@ -2,10 +2,13 @@ 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,
fitted to Tab. 3.4.1 (RRR=1000, T_min=200K, T_max=900K)
fit to Tab. 3.4.1 (RRR=1000, T_min=200K, T_max=900K)
- https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html
K_11: 2.380e+02
K_11,T: 2.068e-03
K_11,T^2: -7.765e-05
T_ref: 293.15
C_p: 910.0

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@ -1,4 +1,5 @@
references:
- https://de.wikipedia.org/wiki/Gold
C_p: 128.0
K_11: 320.0

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@ -2,10 +2,13 @@ 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,
fitted to Tab. 2.4.1 (RRR=1000, T_min=200K, T_max=1000K)
fit to Tab. 2.4.1 (RRR=1000, T_min=200K, T_max=1000K)
- https://www.mit.edu/~6.777/matprops/copper.htm
K_11: 4.039e+02
K_11,T: -8.119e-02
K_11,T^2: 1.454e-05
T_ref: 293.15
C_p: 385.0

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@ -2,10 +2,13 @@ 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,
fitted to Tab. 4.4.1 (RRR=300, T_min=200K, T_max=1000K)
fit to Tab. 4.4.1 (RRR=300, T_min=200K, T_max=1000K)
- https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html
K_11: 8.055e+01
K_11,T: -1.051e-01
K_11,T^2: 5.464e-05
T_ref: 293.15
C_p: 450.0

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@ -2,10 +2,13 @@ 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,
fitted to Tab. 5.4.1 (RRR=300, T_min=200K, T_max=1000K)
fit to Tab. 5.4.1 (RRR=300, T_min=200K, T_max=1000K)
- https://www.mit.edu/~6.777/matprops/tungsten.htm
K_11: 1.758e+02
K_11,T: -1.605e-01
K_11,T^2: 1.160e-04
T_ref: 293.15
C_p: 132.51

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@ -1,2 +1,3 @@
type: dissipation
kappa: .9

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@ -1,3 +1,4 @@
type: externalheat
f_T: [1, 1, 0, 0]
t_n: [0, 500, 500.001, 1000]

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@ -1,5 +1,6 @@
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