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Volumn 69, Issue 6 1, 2004, Pages

Static properties of a simulated supercooled polymer melt: Structure factors, monomer distributions relative to the center of mass, and triple correlation functions

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPUTER SIMULATION; CONVOLUTION; FOURIER TRANSFORMS; GLASS TRANSITION; MATHEMATICAL MODELS; MELTING; MONOMERS; SUPERCOOLING; TOPOLOGY; VECTORS;

EID: 42749098738     PISSN: 15393755     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevE.69.061801     Document Type: Article
Times cited : (21)

References (61)
  • 5
    • 0000978126 scopus 로고
    • Liquids, Freezing, and Glass Transition, Session LI, edited by J. P. Hansen, D. Levesque, and J. Zinn-Justin (North-Holland, Amsterdam)
    • W. Götze, in Liquids, Freezing, and Glass Transition, Proceedings of the Les Houches Summer School of Theoretical Physics, Session LI, edited by J. P. Hansen, D. Levesque, and J. Zinn-Justin (North-Holland, Amsterdam, 1991), pp. 287-503.
    • (1991) Proceedings of the Les Houches Summer School of Theoretical Physics , pp. 287-503
    • Götze, W.1
  • 21
    • 33645075863 scopus 로고    scopus 로고
    • S.-H. Chong, M. Aichele, M. Fuchs, and J. Baschnagel (in preparation)
    • S.-H. Chong, M. Aichele, M. Fuchs, and J. Baschnagel (in preparation).
  • 37
    • 33645080058 scopus 로고    scopus 로고
    • note
    • 2 and over even 12000 configurations for a binary Lennard-Jones mixture. For our model an improvement of the statistics by a factor of 10 is currently not feasible, although it might be desirable, as the discussion of Sec. V suggests.
  • 40
    • 33645073141 scopus 로고    scopus 로고
    • note
    • For two-dimensional [58] and three-dimensional [59] colloidal suspensions in thermal equilibrium different phenomenological freezing criteria were compared and shown to yield identical results. Reference [60] extends these studies to a nonequilibrium situation. Under the influence of an external oscillatory field the freezing criteria hold as well, provided the system is not too far from equilibrium.
  • 46
    • 33645065760 scopus 로고    scopus 로고
    • note
    • ab(q).
  • 52
    • 33645089320 scopus 로고    scopus 로고
    • note
    • g, where erf(·) denotes the error function. A detailed discussion of the monomer distribution about the center of mass, including excluded volume effects, can be found in Refs. [34,61].
  • 57
    • 33645089322 scopus 로고    scopus 로고
    • note
    • 2/N, the determinants vanish in the limit q→0 In our model, the structure factors begin to approach their respective small-q behavior for q < 1. Thus, we expect the results for the direct correlation functions obtained from Eq. (A6) to become numerically imprecise for q < 1.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.