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First-Principles Alloy Thermodynamics
Multiscale Modeling
◽
10.1201/b10454-10
◽
2010
◽
pp. 127-148
Keyword(s):
First Principles
◽
Alloy Thermodynamics
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References
Invariance of truncated cluster expansions for first-principles alloy thermodynamics
Physical Review B
◽
10.1103/physrevb.71.212201
◽
2005
◽
Vol 71
(21)
◽
Cited By ~ 24
Author(s):
Marcel H. F. Sluiter
◽
Y. Kawazoe
Keyword(s):
First Principles
◽
Cluster Expansions
◽
Alloy Thermodynamics
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Reliable First-Principles Alloy Thermodynamics via Truncated Cluster Expansions
Physical Review Letters
◽
10.1103/physrevlett.92.255702
◽
2004
◽
Vol 92
(25)
◽
Cited By ~ 94
Author(s):
Nikolai A. Zarkevich
◽
D. D. Johnson
Keyword(s):
First Principles
◽
Cluster Expansions
◽
Alloy Thermodynamics
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Methods for First-Principles Alloy Thermodynamics
JOM
◽
10.1007/s11837-013-0764-3
◽
2013
◽
Vol 65
(11)
◽
pp. 1523-1532
◽
Cited By ~ 39
Author(s):
Axel van de Walle
Keyword(s):
First Principles
◽
Alloy Thermodynamics
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Quantifying uncertainties in first-principles alloy thermodynamics using cluster expansions
Journal of Computational Physics
◽
10.1016/j.jcp.2016.07.016
◽
2016
◽
Vol 323
◽
pp. 17-44
◽
Cited By ~ 9
Author(s):
Manuel Aldegunde
◽
Nicholas Zabaras
◽
Jesper Kristensen
Keyword(s):
First Principles
◽
Cluster Expansions
◽
Alloy Thermodynamics
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First-Principles Simulations of Alloy Thermodynamics in Megabar Pressure Range
NATO Science for Peace and Security Series B: Physics and Biophysics - High-Pressure Crystallography
◽
10.1007/978-90-481-9258-8_27
◽
2010
◽
pp. 341-351
Author(s):
Igor A. Abrikosov
Keyword(s):
First Principles
◽
Pressure Range
◽
Alloy Thermodynamics
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Metaphysical First Principles of the Doctrine of Virtue
Kant: <I>The Metaphysics of Morals</I>
◽
10.1017/9781316091388.008
◽
2018
◽
pp. 149-182
◽
Cited By ~ 1
Keyword(s):
First Principles
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Transferability of first principles derived torsional potentials for mesogenic molecules and fragments
Molecular Physics
◽
10.1080/00268979809482281
◽
1998
◽
Vol 93
(6)
◽
pp. 947-954
◽
Cited By ~ 12
Author(s):
C.J. ADAM
◽
S.J. CLARK
◽
M.R. WILSON
◽
G.J. ACKLAND
◽
J. CRAIN
Keyword(s):
First Principles
◽
Torsional Potentials
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A first-principles Hartree-Fock description of MnO at high pressures
Philosophical Magazine B
◽
10.1080/014186398259112
◽
1998
◽
Vol 77
(4)
◽
pp. 1063-1075
Author(s):
W. C. Mackrodt, E.-A. Williamson, D. W
Keyword(s):
First Principles
◽
High Pressures
◽
Hartree Fock
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Review of From First Principles: An Experiment on Ageing.
Contemporary Psychology
◽
10.1037/000630
◽
1997
◽
Vol 42
(2)
◽
pp. 173-174
Author(s):
Terri Gullickson
Keyword(s):
First Principles
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Presidential address, August, 1986: First principles for structuring acquisition
PsycEXTRA Dataset
◽
10.1037/e517772012-002
◽
1986
◽
Author(s):
Rochel Gelman
Keyword(s):
First Principles
◽
Presidential Address
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