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Volumn 49, Issue 1, 2004, Pages 1-18

Interatomic forces in materials

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PHYSICS; ELECTROSTATICS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; VARIATIONAL TECHNIQUES;

EID: 0141865659     PISSN: 00796425     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0079-6425(03)00018-5     Document Type: Review
Times cited : (21)

References (35)
  • 1
    • 77956940776 scopus 로고
    • H. Ehrenreich, F. Seitz, & D. Tumbull. New York: Academic
    • Cohen M.L., Heine V. Ehrenreich H., Seitz F., Tumbull D. Solid state physics. 1970;37-248 Academic, New York.
    • (1970) Solid State Physics , pp. 37-248
    • Cohen, M.L.1    Heine, V.2
  • 4
    • 0042113153 scopus 로고
    • Self-consistent equations including exchange and correlation effects
    • Kohn W, Sham LJ. Self-consistent equations including exchange and correlation effects. Physical Review 1965;140:A1133-8.
    • (1965) Physical Review , vol.140
    • Kohn, W.1    Sham, L.J.2
  • 5
    • 4243606192 scopus 로고
    • Unified approach for molecular dynamics and density-functional theory
    • Car R., Parrinello M. Unified approach for molecular dynamics and density-functional theory. Physical Review Letters. 55:1985;2471-2474.
    • (1985) Physical Review Letters , vol.55 , pp. 2471-2474
    • Car, R.1    Parrinello, M.2
  • 8
    • 34547564932 scopus 로고
    • Forces in molecules
    • Feynman R.P. Forces in molecules. Physical Review. 56:1939;340-343.
    • (1939) Physical Review , vol.56 , pp. 340-343
    • Feynman, R.P.1
  • 10
    • 0000207021 scopus 로고    scopus 로고
    • The crystal structure of zirconia from first principles and self consistent tight binding
    • Finnis M.W., Paxton A.T., Methfessel M., van Schilfgaarde M. The crystal structure of zirconia from first principles and self consistent tight binding. Physical Review Letters. 81:1998;5149-5152.
    • (1998) Physical Review Letters , vol.81 , pp. 5149-5152
    • Finnis, M.W.1    Paxton, A.T.2    Methfessel, M.3    Van Schilfgaarde, M.4
  • 12
    • 0026971522 scopus 로고
    • Metal-ceramic cohesion and the image interaction
    • Finnis M.W. Metal-ceramic cohesion and the image interaction. Acta Metallurgica et Materialia. 40:1992;S25-37.
    • (1992) Acta Metallurgica et Materialia , vol.40 , pp. 25-37
    • Finnis, M.W.1
  • 13
    • 0035826014 scopus 로고    scopus 로고
    • A physically transparent and transferable compressible ion model for oxides
    • Marks N.A., Finnis M.W., Harding J.H., Pyper N.C. A physically transparent and transferable compressible ion model for oxides. Journal of Chemical Physics. 114:2001;4406-4414.
    • (2001) Journal of Chemical Physics , vol.114 , pp. 4406-4414
    • Marks, N.A.1    Finnis, M.W.2    Harding, J.H.3    Pyper, N.C.4
  • 14
    • 0001463575 scopus 로고    scopus 로고
    • Analytic bond-order potentials beyond Tersoff-Brenner. I. Theory
    • Pettifor D.G., Oleinik I.I. Analytic bond-order potentials beyond Tersoff-Brenner. I. Theory. Physical Review B. 59:1999;8487-8499.
    • (1999) Physical Review B , vol.59 , pp. 8487-8499
    • Pettifor, D.G.1    Oleinik, I.I.2
  • 15
    • 0000745375 scopus 로고    scopus 로고
    • Bounded analytic bond-order potentials for sigma and pi bonds
    • Pettifor D.G., Oleinik I.I. Bounded analytic bond-order potentials for sigma and pi bonds. Physical Review Letters. 84:2000;4124-4127.
    • (2000) Physical Review Letters , vol.84 , pp. 4124-4127
    • Pettifor, D.G.1    Oleinik, I.I.2
  • 16
    • 0036573684 scopus 로고    scopus 로고
    • Analytic bond-order potential for open and close-packed phases
    • Pettifor D.G., Oleinik I.I. Analytic bond-order potential for open and close-packed phases. Physical Review B. 65(17):2002;172103.
    • (2002) Physical Review B , vol.65 , Issue.17 , pp. 172103
    • Pettifor, D.G.1    Oleinik, I.I.2
  • 17
    • 0000726819 scopus 로고
    • New empirical model for the structural properties of silicon
    • Tersoff J. New empirical model for the structural properties of silicon. Physical Review Letters. 56:1986;632-635.
    • (1986) Physical Review Letters , vol.56 , pp. 632-635
    • Tersoff, J.1
  • 18
    • 25944444136 scopus 로고
    • Effective-medium theory of chemical binding: Application to chemisorption
    • Nørskov J.K., Lang N.D. Effective-medium theory of chemical binding: application to chemisorption. Physical Review B. 21:1980;213-2136.
    • (1980) Physical Review B , vol.21 , pp. 213-2136
    • Nørskov, J.K.1    Lang, N.D.2
  • 19
    • 24244464611 scopus 로고
    • Quasiatoms: An approach to atoms in nonuniform electronic systems
    • Stott M.J., Zaremba E. Quasiatoms. an approach to atoms in nonuniform electronic systems Physical Review B. 22:1980;1564-1583.
    • (1980) Physical Review B , vol.22 , pp. 1564-1583
    • Stott, M.J.1    Zaremba, E.2
  • 20
    • 4244079381 scopus 로고
    • Embedded atom method: Derivation and application to impurities, surfaces and other defects in metals
    • Daw M.S., Baskes M.I. 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
  • 21
    • 0021463618 scopus 로고
    • A simple empirical n-body potential for transition metals
    • erratum Philosophical Magazine A 1986;53(1):161
    • Finnis M.W., Sinclair J.E. A simple empirical n-body potential for transition metals. Phil. Mag. A 50 (1984) 45-55, erratum. Philosophical Magazine A. 53(1):1986;161.
    • (1984) Phil. Mag. A , vol.50 , pp. 45-55
    • Finnis, M.W.1    Sinclair, J.E.2
  • 22
    • 25344457226 scopus 로고
    • Interatomic interactions in the effective medium theory
    • Jacobsen K.W., Nørskov J.K., Puska M.J. Interatomic interactions in the effective medium theory. Physical Review B. 35:1987;7423-7442.
    • (1987) Physical Review B , vol.35 , pp. 7423-7442
    • Jacobsen, K.W.1    Nørskov, J.K.2    Puska, M.J.3
  • 23
    • 16644385856 scopus 로고    scopus 로고
    • Relative energetics and structural properties of zirconia using a self-consistent tight-binding model
    • Fabris S., Paxton A.T., Finnis M.W. Relative energetics and structural properties of zirconia using a self-consistent tight-binding model. Physical Review B. 61:2000;6617-6630.
    • (2000) Physical Review B , vol.61 , pp. 6617-6630
    • Fabris, S.1    Paxton, A.T.2    Finnis, M.W.3
  • 24
    • 0034898356 scopus 로고    scopus 로고
    • Free energy and molecular dynamics calculations for the cubic-tetragonal phase transition in zirconia
    • Fabris S., Paxton A.T., Finnis M.W. Free energy and molecular dynamics calculations for the cubic-tetragonal phase transition in zirconia. Physical Review B. 63:2001;. 094101-1-13.
    • (2001) Physical Review B , vol.63 , pp. 0941011-0941013
    • Fabris, S.1    Paxton, A.T.2    Finnis, M.W.3
  • 27
    • 33744694446 scopus 로고
    • Density-functional formulation of the generalized pseudopotential theory. III. Transition-metal interatomic potentials
    • Moriarty J.A. Density-functional formulation of the generalized pseudopotential theory. III. Transition-metal interatomic potentials. Physical Review B. 38:1988;3199-3231.
    • (1988) Physical Review B , vol.38 , pp. 3199-3231
    • Moriarty, J.A.1
  • 28
    • 24544456437 scopus 로고
    • Analytic representation of multi-ion interatomic potentials in transition metals
    • Moriarty J.A. Analytic representation of multi-ion interatomic potentials in transition metals. Physical Review B. 42:1990;1609-1628.
    • (1990) Physical Review B , vol.42 , pp. 1609-1628
    • Moriarty, J.A.1
  • 29
    • 0000163549 scopus 로고
    • First-principles interatomic potentials for transition-metal surfaces
    • Moriarty J.A., Phillips R. First-principles interatomic potentials for transition-metal surfaces. Physical Review Letters. 66:1991;3036-3039.
    • (1991) Physical Review Letters , vol.66 , pp. 3036-3039
    • Moriarty, J.A.1    Phillips, R.2
  • 31
    • 0034275568 scopus 로고    scopus 로고
    • Insight into gallium behaviour in aluminium grain boundaries from calculations on σ=11(113) boundary
    • Thomson D.I., Heine V., Payne M.C., Marzari N., Finnis M.W. Insight into gallium behaviour in aluminium grain boundaries from calculations on σ=11(113) boundary. Acta Mater.ialia. 48:2000;3623-3812.
    • (2000) Acta Materialia , vol.48 , pp. 3623-3812
    • Thomson, D.I.1    Heine, V.2    Payne, M.C.3    Marzari, N.4    Finnis, M.W.5
  • 32
    • 0141741296 scopus 로고
    • Theory of the atomic interactions in (s,p)-bonded metals
    • Hafner J., Heine V. Theory of the atomic interactions in (s,p)-bonded metals. Journal of Physics F: Metal Physics. 16:1986;1429-1458.
    • (1986) Journal of Physics F: Metal Physics , vol.16 , pp. 1429-1458
    • Hafner, J.1    Heine, V.2


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