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Volumn 63, Issue 1, 2001, Pages

Computer simulations of liquid silica: Equation of state and liquid–liquid phase transition

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; EQUATIONS OF STATE OF LIQUIDS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; PHASE TRANSITIONS; THERMODYNAMIC PROPERTIES;

EID: 0012396311     PISSN: 1063651X     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevE.63.011202     Document Type: Article
Times cited : (197)

References (66)
  • 23
    • 85035251108 scopus 로고    scopus 로고
    • e-print cond-mat/0005184
    • G. Franzese, e-print cond-mat/0005184.
    • Franzese, G.1
  • 24
    • 85035287631 scopus 로고    scopus 로고
    • e-print cond-mat/0006381
    • J. A. Jagla, e-print cond-mat/0006381.
    • Jagla, J.A.1
  • 37
    • 0020401457 scopus 로고    scopus 로고
    • H. Sugiura, K.-I. Kondo, and A. Sawaoka, in High-Pressure Research in Geophysics, edited by S. Akimoto and M. H. Manghnani (Reidel, Dordrecht, 1982), p. 551
    • H. Sugiura, K.-I. Kondo, and A. Sawaoka, in High-Pressure Research in Geophysics, edited by S. Akimoto and M. H. Manghnani (Reidel, Dordrecht, 1982), p. 551.
  • 48
    • 85035302968 scopus 로고    scopus 로고
    • B. Coluzzi, Ph.D thesis, University of Roma La Sapienza, 1999
    • B. Coluzzi, Ph.D thesis, University of Roma La Sapienza, 1999;
  • 53
    • 85035306289 scopus 로고    scopus 로고
    • To correct for the unphysical behavior of the BKS model at short range, we use a potential of the form, (Formula presented) where (Formula presented) is the original BKS form, and r is the separation between atoms i and j, which may be either Si or O atoms. (Formula presented) while (Formula presented) (Formula presented) (Formula presented) and (Formula presented) (Formula presented) and (Formula presented) are chosen so that the original BKS potential is modified as little as possible at larger r, subject to the constraint that the new potential has no inflection at small r
    • To correct for the unphysical behavior of the BKS model at short range, we use a potential of the form, (Formula presented) where (Formula presented) is the original BKS form, and r is the separation between atoms i and j, which may be either Si or O atoms. (Formula presented) while (Formula presented) (Formula presented) (Formula presented) and (Formula presented) (Formula presented) and (Formula presented) are chosen so that the original BKS potential is modified as little as possible at larger r, subject to the constraint that the new potential has no inflection at small r.
  • 55
    • 85035281906 scopus 로고    scopus 로고
    • The curve fitting, differentiations, and integrations required to build the functional model of the thermodynamic properties are carried out using the symbolic computation system Maple, version V.5, Waterloo Maple, Inc., Waterloo, Canada
    • The curve fitting, differentiations, and integrations required to build the functional model of the thermodynamic properties are carried out using the symbolic computation system Maple, version V.5, Waterloo Maple, Inc., Waterloo, Canada.
  • 56
    • 0001101089 scopus 로고    scopus 로고
    • Note that the definition used here for the (Formula presented) line differs from that of the “temperature of extremal compressibility” line studied by these authors. We focus on the (Formula presented) line because it’s location would be simpler to identify in isothermal compression experiments
    • S. Sastry, P. G. Debenedetti, F. Sciortino, and H. E. Stanley, Phys. Rev. E 53, 6144 (1996). Note that the definition used here for the (Formula presented) line differs from that of the “temperature of extremal compressibility” line studied by these authors. We focus on the (Formula presented) line because it’s location would be simpler to identify in isothermal compression experiments.
    • (1996) Phys. Rev. E , vol.53 , pp. 6144
    • Sastry, S.1    Debenedetti, P.G.2    Sciortino, F.3    Stanley, H.E.4
  • 59
    • 85035306338 scopus 로고    scopus 로고
    • e-print Phys. Rev. Lett. (to be published) (e-print
    • F. Sciortino and P. Tartaglia, Phys. Rev. Lett. (to be published) (e-print cond-mat/0007208).
    • Sciortino, F.1    Tartaglia, P.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.