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Volumn 10, Issue 1-2, 2011, Pages 2-20

Dynamic bond-order force field

Author keywords

Molecular dynamics; Proton relay reaction; Reactive force field; Silicon dioxide film

Indexed keywords

ATOMIC NUCLEI; BOND ORDERS; ENERGY FORMULATIONS; FORCE FIELDS; MECHANICAL SYSTEMS; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR FORCE FIELD; MULTICOMPONENT MATERIALS; PARAMETRIZATIONS; PROTON TRANSFER REACTIONS; REACTIVE FORCE FIELD; SILICON DIOXIDE FILM;

EID: 79959196893     PISSN: 15698025     EISSN: 15728137     Source Type: Journal    
DOI: 10.1007/s10825-011-0344-0     Document Type: Article
Times cited : (7)

References (52)
  • 6
    • 0039682810 scopus 로고
    • Beyond pair potentials in elemental transition metals and semiconductors
    • H. Ehrenreich D. Turnbull (eds). Academic Press San Diego
    • Carlson, A.E.: Beyond pair potentials in elemental transition metals and semiconductors. In: Ehrenreich, H., Turnbull, D. (eds.) Solid State Physics, vol. 43. Academic Press, San Diego (1990)
    • (1990) Solid State Physics , vol.43
    • Carlson, A.E.1
  • 12
    • 4243080581 scopus 로고
    • 10.1103/PhysRevLett.59.2666
    • M.I. Baskes 1987 Phys. Rev. Lett. 59 2666 10.1103/PhysRevLett.59.2666
    • (1987) Phys. Rev. Lett. , vol.59 , pp. 2666
    • Baskes, M.I.1
  • 15
    • 16444366630 scopus 로고
    • 10.1103/PhysRevB.37.6991
    • J. Tersoff 1988 Phys. Rev. B 37 6991 10.1103/PhysRevB.37.6991
    • (1988) Phys. Rev. B , vol.37 , pp. 6991
    • Tersoff, J.1
  • 16
    • 33746398176 scopus 로고
    • 10.1103/PhysRevB.31.6184
    • G.C. Abel 1985 Phys. Rev. B 31 6184 10.1103/PhysRevB.31.6184
    • (1985) Phys. Rev. B , vol.31 , pp. 6184
    • Abel, G.C.1
  • 17
    • 33644817086 scopus 로고
    • 10.1103/PhysRevB.42.9458
    • D.W. Brenner 1990 Phys. Rev. B 42 9458 10.1103/PhysRevB.42.9458
    • (1990) Phys. Rev. B , vol.42 , pp. 9458
    • Brenner, D.W.1
  • 19
    • 13444288029 scopus 로고    scopus 로고
    • Development of the ReaxFF reactive force field for describing transition metal catalyzed reactions, with application to the initial stages of the catalytic formation of carbon nanotubes
    • DOI 10.1021/jp046244d
    • K.D. Nielson A.C.T. van Duin J. Oxgaard W.W. Deng W.A. Goddard III 2005 J. Phys. Chem. A 109 493 10.1021/jp046244d (Pubitemid 40206807)
    • (2005) Journal of Physical Chemistry A , vol.109 , Issue.3 , pp. 493-499
    • Nielson, K.D.1    Van Duin, A.C.T.2    Oxgaard, J.3    Deng, W.-Q.4    Goddard III, W.A.5
  • 26
    • 33644894526 scopus 로고    scopus 로고
    • Multiparadigm modeling of dynamical crack propagation in silicon using a reactive force field
    • DOI 10.1103/PhysRevLett.96.095505, 095505
    • M.J. Buehler A.C.T. van Duin W.A. Goddard III 2006 Phys. Rev. Lett. 96 095505 10.1103/PhysRevLett.96.095505 (Pubitemid 43385264)
    • (2006) Physical Review Letters , vol.96 , Issue.9 , pp. 1-4
    • Buehler, M.J.1    Van Duin, A.C.T.2    Goddard III, W.A.3
  • 31
  • 32
  • 43
    • 0000615188 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.61.9899
    • D.R. Hamann 2000 Phys. Rev. B 61 9899 10.1103/PhysRevB.61.9899
    • (2000) Phys. Rev. B , vol.61 , pp. 9899
    • Hamann, D.R.1
  • 45
    • 0000904107 scopus 로고
    • 10.1103/PhysRevB.49.16367
    • T. Motooka 1994 Phys. Rev. B 49 16367 10.1103/PhysRevB.49.16367
    • (1994) Phys. Rev. B , vol.49 , pp. 16367
    • Motooka, T.1
  • 46
    • 84943502952 scopus 로고
    • 10.1080/00268978400101201
    • S. Nose 1984 Mol. Phys. 52 255 10.1080/00268978400101201
    • (1984) Mol. Phys. , vol.52 , pp. 255
    • Nose, S.1
  • 47
    • 0001538909 scopus 로고
    • 10.1103/PhysRevA.31.1695
    • W.G. Hoover 1985 Phys. Rev. A 31 1695 10.1103/PhysRevA.31.1695
    • (1985) Phys. Rev. A , vol.31 , pp. 1695
    • Hoover, W.G.1
  • 50
    • 0000189651 scopus 로고
    • 10.1063/1.464913
    • A.D. Becke 1993 J. Chem. Phys. 98 5648 10.1063/1.464913
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648
    • Becke, A.D.1
  • 51
    • 11744384413 scopus 로고
    • 10.1016/0009-2614(95)00905-J
    • N. Agmon 1995 Chem. Phys. Lett. 244 456 10.1016/0009-2614(95)00905-J
    • (1995) Chem. Phys. Lett. , vol.244 , pp. 456
    • Agmon, N.1
  • 52
    • 33644989063 scopus 로고    scopus 로고
    • 10.1021/ar0402098
    • G.A. Voth 2006 Acc. Chem. Res. 39 143 10.1021/ar0402098
    • (2006) Acc. Chem. Res. , vol.39 , pp. 143
    • Voth, G.A.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.