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data for thermal expansion

This commit is contained in:
Martin Diehl 2021-05-24 10:02:28 +02:00
parent b0f4ea45a4
commit ab070a3c13
27 changed files with 105 additions and 29 deletions
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2
PRIVATE

@ -1 +1 @@
Subproject commit 0744cf7f93dbd06423baaae97a67959f11c3e6a5
Subproject commit 37b19666872a67acdc3c70c270335fd21f11986e

4
examples/config/phase/Al.yaml
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@ -1,4 +1,4 @@
lattice: cF
rho: 2700
references:
- en.wikipedia.org/wiki/Aluminium
lattice: cF
rho: 2700.0

4
examples/config/phase/Au.yaml Normal file
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@ -0,0 +1,4 @@
references:
- en.wikipedia.org/wiki/Gold
lattice: cF
rho: 19300.0

4
examples/config/phase/Cu.yaml Normal file
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@ -0,0 +1,4 @@
references:
- en.wikipedia.org/wiki/Copper
lattice: cF
rho: 8960.0

4
examples/config/phase/Fe.yaml
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@ -1,4 +1,4 @@
lattice: cI
rho: 7874
references:
- en.wikipedia.org/wiki/Iron
lattice: cI
rho: 7874.0

4
examples/config/phase/Ni.yaml
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@ -1,4 +1,4 @@
lattice: cF
rho: 8908
references:
- en.wikipedia.org/wiki/Nickel
lattice: cF
rho: 8908.0

6
examples/config/phase/Ti.yaml Normal file
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references:
- www.totalmateria.com/page.aspx?ID=CheckArticle&site=ktn&NM=221
- en.wikipedia.org/wiki/Titanium
lattice: hP
c/a: 1.587
rho: 4506.0

4
examples/config/phase/W.yaml Normal file
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@ -0,0 +1,4 @@
references:
- en.wikipedia.org/wiki/Tungsten
lattice: cF
rho: 19300.0

2
examples/config/phase/alpha-Ti.yaml
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@ -1,2 +0,0 @@
lattice: hP
c/a: 1.587

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examples/config/phase/mechanical/eigen/thermalexpansion_Al.yaml Normal file
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type: thermalexpansion
references:
- en.wikipedia.org/wiki/Thermal_expansion
A_11: [23.1e-6]
T_ref: 293.15

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examples/config/phase/mechanical/eigen/thermalexpansion_Au.yaml Normal file
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@ -0,0 +1,5 @@
type: thermalexpansion
references:
- en.wikipedia.org/wiki/Thermal_expansion
A_11: [14e-6]
T_ref: 293.15

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examples/config/phase/mechanical/eigen/thermalexpansion_C35E.yaml Normal file
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@ -0,0 +1,5 @@
type: thermalexpansion
references:
- en.wikipedia.org/wiki/Thermal_expansion, fitted from image description
A_11: [12.70371e-6, 7.54e-9, -1.0e-11]
T_ref: 273.0

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examples/config/phase/mechanical/eigen/thermalexpansion_Cu.yaml Normal file
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type: thermalexpansion
references:
- en.wikipedia.org/wiki/Thermal_expansion
A_11: [17e-6]
T_ref: 293.15

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examples/config/phase/mechanical/eigen/thermalexpansion_Fe.yaml Normal file
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type: thermalexpansion
references:
- en.wikipedia.org/wiki/Thermal_expansion
A_11: [11.8e-6]
T_ref: 293.15

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examples/config/phase/mechanical/eigen/thermalexpansion_W.yaml Normal file
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type: thermalexpansion
references:
- en.wikipedia.org/wiki/Thermal_expansion
A_11: [4.5e-6]
T_ref: 293.15

5
examples/config/phase/mechanical/eigen/thermalexpansion_X20Cr13.yaml Normal file
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@ -0,0 +1,5 @@
type: thermalexpansion
references:
- en.wikipedia.org/wiki/Thermal_expansion, fitted from image description
A_11: [11.365e-6, 5.0e-9]
T_ref: 273.0

6
examples/config/phase/mechanical/elastic/Hooke_Cu.yaml Normal file
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@ -0,0 +1,6 @@
type: Hooke
references:
- www.mit.edu/~6.777/matprops/copper.htm, fixed typo
C_11: 168.3e9
C_12: 122.1e9
C_44: 75.7e9

0
examples/config/phase/mechanical/elastic/Hooke_cpTi.yaml → examples/config/phase/mechanical/elastic/Hooke_Ti.yaml
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examples/config/phase/mechanical/elastic/Hooke_W.yaml Normal file
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type: Hooke
references:
- D. Cereceda et al.,
International Journal of Plasticity, 78, 242-265, 2016,
10.1016/j.ijplas.2015.09.002
C_11: 523.e9
C_12: 202.e9
C_44: 161.e9

2
examples/config/phase/mechanical/plastic/dislotwin_IF-steel.yaml
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@ -1,7 +1,7 @@
type: dislotwin
references:
- K. Sedighiani et al.,
International Journal of Plasticity, 134, 102779, 2020
International Journal of Plasticity, 134, 102779, 2020,
10.1016/j.ijplas.2020.102779
- K. Sedighiani et al.,
Mechanics of Materials, submitted

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examples/config/phase/mechanical/plastic/phenopowerlaw_Au.yaml
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@ -1,14 +1,17 @@
# parameters fitted by D. Ma to:
# On the mathematical description of the tensile stress-strain curves of polycrystalline face centered cubic metals
# International Journal of Plasticity, Volume 12, Issue 1, 1996, Pages 35-43
# DOI: 10.1016/S0749-6419(95)00043-7
type: phenopowerlaw
output: [xi_sl]
references:
- D. Ma et al.,
Acta Materialia, 103, 796-808, 2016,
10.1016/j.actamat.2015.11.016
- I. Kovács and G.Vörös,
International Journal of Plasticity, 12, 35-43, 1996,
10.1016/S0749-6419(95)00043-7
output: [xi_sl, gamma_sl]
N_sl: [12]
n_sl: 83
n_sl: 83.3
dot_gamma_0_sl: 0.001
h_0_sl_sl: 75e6
h_0_sl_sl: 75.0e6
h_sl_sl: [1, 1, 1.4, 1.4, 1.4, 1.4, 1.4]
a_sl: 1.0
xi_0_sl: [26e6]
xi_inf_sl: [53e6]
xi_0_sl: [26.25e6]
xi_inf_sl: [53.0e6]

4
examples/config/phase/thermal/Al.yaml
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@ -1,7 +1,5 @@
references:
- www.engineeringtoolbox.com/thermal-conductivity-metals-d_858.html
- www.engineeringtoolbox.com/specific-heat-metals-d_152.html
c_p: 0.91e3
c_p: 910.0
K_11: 236.0
K_22: 236.0
K_33: 236.0

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examples/config/phase/thermal/Au.yaml Normal file
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references:
- de.wikipedia.org/wiki/Gold
c_p: 128.0
K_11: 320.0

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examples/config/phase/thermal/Cu.yaml Normal file
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references:
- www.mit.edu/~6.777/matprops/copper.htm
c_p: 385.0
K_11: 401.0

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examples/config/phase/thermal/Steel-0.5C.yaml
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@ -1,7 +1,5 @@
references:
- www.engineeringtoolbox.com/thermal-conductivity-metals-d_858.html
- www.engineeringtoolbox.com/specific-heat-metals-d_152.html
c_p: 0.49e3
c_p: 490.0
K_11: 54.0
K_22: 54.0
K_33: 54.0

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examples/config/phase/thermal/W.yaml Normal file
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references:
- www.mit.edu/~6.777/matprops/tungsten.htm
c_p: 132.51
K_11: 178.0

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src/phase_thermal.f90
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@ -101,10 +101,10 @@ module subroutine thermal_init(phases)
phase => phases%get(ph)
thermal => phase%get('thermal',defaultVal=emptyDict)
param(ph)%C_p = thermal%get_asFloat('c_p',defaultVal=0.0_pReal)
if (param(ph)%C_p <= 0) param(ph)%C_p = thermal%get_asFloat('C_p',defaultVal=0.0_pReal)
param(ph)%K(1,1) = thermal%get_asFloat('K_11',defaultVal=0.0_pReal)
param(ph)%K(2,2) = thermal%get_asFloat('K_22',defaultVal=0.0_pReal)
param(ph)%K(3,3) = thermal%get_asFloat('K_33',defaultVal=0.0_pReal)
if (param(ph)%C_p <= 0) param(ph)%C_p = thermal%get_asFloat('C_p',defaultVal=0.0_pReal) ! ToDo: decide on capitalization
param(ph)%K(1,1) = thermal%get_asFloat('K_11',defaultVal=0.0_pReal) ! ToDo: make mandatory?
param(ph)%K(2,2) = thermal%get_asFloat('K_22',defaultVal=0.0_pReal) ! ToDo: depends on symmtery
param(ph)%K(3,3) = thermal%get_asFloat('K_33',defaultVal=0.0_pReal) ! ToDo: depends on symmtery
param(ph)%K = lattice_applyLatticeSymmetry33(param(ph)%K,phase%get_asString('lattice'))
sources => thermal%get('source',defaultVal=emptyList)