-
1
-
-
4244079381
-
Embedded-atom method: Derivation and application to impurities, surfaces and other defects in metals
-
M. S. Daw and M. I. Baskes: Embedded-atom method: Derivation and application to impurities, surfaces and other defects in metals, Physical Review B, 29 (1984), 6443-6453.
-
(1984)
Physical Review B
, vol.29
, pp. 6443-6453
-
-
Daw, M.S.1
Baskes, M.I.2
-
2
-
-
5844383856
-
Embedded-atom-method functions for the fee metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys
-
S. M. Foiles, M. I. Baskes, and M. S. Daw: Embedded-atom-method functions for the fee metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys, Physical Review B, 33 (1986), 7893-7991.
-
(1986)
Physical Review B
, vol.33
, pp. 7893-7991
-
-
Foiles, S.M.1
Baskes, M.I.2
Daw, M.S.3
-
3
-
-
0000180249
-
Semiempirical modified embedded-atom potentials for silicon and germanium
-
M. I. Baskes, J. S. Nelson, and A. F. Wright: Semiempirical modified embedded-atom potentials for silicon and germanium, Physical Review B, 40 (1989), 6085-6100.
-
(1989)
Physical Review B
, vol.40
, pp. 6085-6100
-
-
Baskes, M.I.1
Nelson, J.S.2
Wright, A.F.3
-
4
-
-
33749125733
-
Modified embedded-atom potentials for cubic materials and impurities
-
M. I. Baskes: Modified embedded-atom potentials for cubic materials and impurities, Physical Review B, 46 (1992), 2727-2741.
-
(1992)
Physical Review B
, vol.46
, pp. 2727-2741
-
-
Baskes, M.I.1
-
5
-
-
31444436185
-
Philosophical evolution in the theories of embedded atom method and modified embedded atom method
-
K. Takahashi, M. Notomi, T. Nakano and S. Momozono: Philosophical Evolution in the Theories of Embedded Atom Method and Modified Embedded Atom Method, Social Material Science, 48 (1999), 982-986.
-
(1999)
Social Material Science
, vol.48
, pp. 982-986
-
-
Takahashi, K.1
Notomi, M.2
Nakano, T.3
Momozono, S.4
-
6
-
-
0029355676
-
A structural study of Pd/Cu (100) surface alloys
-
T. D. Pope, M. Vos, H. T. Tang, K. Griffiths, I. V. Mitchell, P. R. Norton, W. Liu, Y. S. Li, K. A. R. Mitchell, Z. J. Tian and J. E. Black: A structural study of Pd/Cu (100) surface alloys, Surface Science, 337 (1995), 79-91.
-
(1995)
Surface Science
, vol.337
, pp. 79-91
-
-
Pope, T.D.1
Vos, M.2
Tang, H.T.3
Griffiths, K.4
Mitchell, I.V.5
Norton, P.R.6
Liu, W.7
Li, Y.S.8
Mitchell, K.A.R.9
Tian, Z.J.10
Black, J.E.11
-
7
-
-
0026203583
-
EAM study of surface self-diffusion of single adatoms of fee metals Ni, Cu, Al, Ag, Au, Pd, and Pt
-
C. L. Liu, J. M. Cohen, J. B. Adams and A. F. Voter: EAM study of surface self-diffusion of single adatoms of fee metals Ni, Cu, Al, Ag, Au, Pd, and Pt, Surface Science, 253 (1991), 334-344.
-
(1991)
Surface Science
, vol.253
, pp. 334-344
-
-
Liu, C.L.1
Cohen, J.M.2
Adams, J.B.3
Voter, A.F.4
-
8
-
-
0842308300
-
MEAM molecular dynamics study of a gold thin film on a silicon substrate
-
C. L. Kuo and P. Clancy: MEAM molecular dynamics study of a gold thin film on a silicon substrate, Surface Science, 551 (2004), 39-58.
-
(2004)
Surface Science
, vol.551
, pp. 39-58
-
-
Kuo, C.L.1
Clancy, P.2
-
9
-
-
0038782120
-
Development of modified embedded atom method for a bcc metal: Lithium
-
X. Yuan, K. Takahashi, Y. Yin and T. Onzawa: Development of modified embedded atom method for a bcc metal: lithium, Modelling Simulation Material Science Engineering, 11 (2003), 447-456.
-
(2003)
Modelling Simulation Material Science Engineering
, vol.11
, pp. 447-456
-
-
Yuan, X.1
Takahashi, K.2
Yin, Y.3
Onzawa, T.4
-
10
-
-
0034879533
-
Parametrization of modified embedded-atom-method potentials for Rh, Pd, Ir, and Pt based on density functional theory calculations, with applications to surface properties
-
Pages: 165106(1)-165106(13)
-
P. V. Beurden and G. J. Kramer: Parametrization of modified embedded-atom-method potentials for Rh, Pd, Ir, and Pt based on density functional theory calculations, with applications to surface properties, Physical Review B, 63 (2001), 165106 (1) - 165106 (13).
-
(2001)
Physical Review B
, vol.63
-
-
Beurden, P.V.1
Kramer, G.J.2
-
11
-
-
0348233173
-
Development of a modified embedded atom method for bcc transition metals
-
X. Yuan, K. Takahashi, Y. Ouyang and T. Onzawa: Development of a modified embedded atom method for bcc transition metals, Journal of Physics: Condensed Matter, 15 (2003), 8917-8926.
-
(2003)
Journal of Physics: Condensed Matter
, vol.15
, pp. 8917-8926
-
-
Yuan, X.1
Takahashi, K.2
Ouyang, Y.3
Onzawa, T.4
-
13
-
-
16444380912
-
Analytic nearest-neighbor model for fee metals
-
R. A. Johnson: Analytic nearest-neighbor model for fee metals, Physical Review B, 37 (1988), 3924-3931.
-
(1988)
Physical Review B
, vol.37
, pp. 3924-3931
-
-
Johnson, R.A.1
-
16
-
-
0006073669
-
Ab initio effective core potentials for molecular calculations. Potentials for main group elements Na to Bi
-
W. R. Wadt and P. J. Hay: Ab initio effective core potentials for molecular calculations. Potentials for main group elements Na to Bi, Journal of Chemical Physics, 82 (1985), 284-298.
-
(1985)
Journal of Chemical Physics
, vol.82
, pp. 284-298
-
-
Wadt, W.R.1
Hay, P.J.2
-
17
-
-
33745770836
-
Ab initio effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg
-
P. J. Hay and W. R. Wadt: Ab initio effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg, Journal of Chemical Physics, 82 (1985), 270-283.
-
(1985)
Journal of Chemical Physics
, vol.82
, pp. 270-283
-
-
Hay, P.J.1
Wadt, W.R.2
-
18
-
-
4243553426
-
Density-functional exchange-energy approximation with correct asymptotic behavior
-
A. D. Beche: Density-functional exchange-energy approximation with correct asymptotic behavior, Physical Review A, 38 (1988), 3098-3100.
-
(1988)
Physical Review A
, vol.38
, pp. 3098-3100
-
-
Beche, A.D.1
-
19
-
-
33751157732
-
Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields
-
P. J. Stephens, F. J. Devlin, C. F. Chabalowski, and M. J. Frisch: Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields, Journal of Physical Chemistry, 98 (1994), 11623-11627.
-
(1994)
Journal of Physical Chemistry
, vol.98
, pp. 11623-11627
-
-
Stephens, P.J.1
Devlin, F.J.2
Chabalowski, C.F.3
Frisch, M.J.4
-
20
-
-
0001336970
-
Comparative ab initio study of molecular structures and relative stabilities of germanone, germathione, germaselenone, and their structural isomers
-
M. Pavlov, P. E. M. Siegbahn and M. Sndstrom: Comparative ab Initio Study of Molecular Structures and Relative Stabilities of Germanone, Germathione, Germaselenone, and Their Structural Isomers, Journal of Physical Chemistry, 102 (1998), 2189-2193.
-
(1998)
Journal of Physical Chemistry
, vol.102
, pp. 2189-2193
-
-
Pavlov, M.1
Siegbahn, P.E.M.2
Sndstrom, M.3
-
21
-
-
31444436978
-
-
M. J. Frisch, G. W. Truchs, H. B. Schlegel, et al.: Gaussian, Inc Pittsburgh PA. 1998
-
M. J. Frisch, G. W. Truchs, H. B. Schlegel, et al.: Gaussian, Inc Pittsburgh PA. 1998.
-
-
-
-
22
-
-
0032123173
-
Analytic embedded atom method potentials for faced-centered cubic metals
-
S. S. Pohlong and P. N. Ram: Analytic embedded atom method potentials for faced-centered cubic metals, Journal of Material Research, 13 (1998), 1919-1927.
-
(1998)
Journal of Material Research
, vol.13
, pp. 1919-1927
-
-
Pohlong, S.S.1
Ram, P.N.2
-
23
-
-
0026173208
-
All-electron first-principles supercell total -energy calculation of the vacancy formation energy in aluminium
-
M. J. Mehl and B. M. Klein: All-electron first-principles supercell total -energy calculation of the vacancy formation energy in aluminium, Physica B, 172 (1991), 211-215.
-
(1991)
Physica B
, vol.172
, pp. 211-215
-
-
Mehl, M.J.1
Klein, B.M.2
-
25
-
-
0026850725
-
Stability of tight-packed metals with the embedded-atom method
-
R. A. Johnson: Stability of tight-packed metals with the embedded-atom method, Journal of Material Research, 7 (1992), 883-887.
-
(1992)
Journal of Material Research
, vol.7
, pp. 883-887
-
-
Johnson, R.A.1
-
26
-
-
0024738397
-
Probability of vacancy formation
-
M. N. Magomedov: Probability of vacancy formation, High Temperature-USSR, 27 (1989), 217-220.
-
(1989)
High Temperature-USSR
, vol.27
, pp. 217-220
-
-
Magomedov, M.N.1
-
27
-
-
0024018559
-
Calculation of the vacancy formation energy of metals
-
V. V. Ogorodnikov, A. N. Rakitskii, and Y. I. Rogovoi: Calculation of the vacancy formation energy of metals, Powder Metallurgy and Metal Ceramics, 27 (1988), 55-60.
-
(1988)
Powder Metallurgy and Metal Ceramics
, vol.27
, pp. 55-60
-
-
Ogorodnikov, V.V.1
Rakitskii, A.N.2
Rogovoi, Y.I.3
-
28
-
-
0018555107
-
Vacancies and a generalised melting curve of metals
-
T. Gorecki: Vacancies and a generalised melting curve of metals, High Temperatures - High Pressures, 11 (1979), 683.
-
(1979)
High Temperatures - High Pressures
, vol.11
, pp. 683
-
-
Gorecki, T.1
|