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Volumn 53, Issue 6 SUPPL. B, 1996, Pages 6530-6543

Multicanonical Monte Carlo study of solid-solid phase coexistence in a model colloid

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EID: 4243643409     PISSN: 1063651X     EISSN: None     Source Type: Journal    
DOI: 10.1103/physreve.53.6530     Document Type: Article
Times cited : (49)

References (48)
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    • B.A. Berg and T. Neuhaus, Phys. Lett. B 267, 249 (1991); Phys. Rev. Lett. 68, 9 (1992).
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    • A.M. Ferrenberg and R.H. Swendsen, Phys. Rev. Lett. 61, 2635 (1988); 63, 1658(E) (1989).
    • (1989) Phys. Rev. Lett. , vol.63
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    • P. Bolhuis and D. Frenkel, Phys. Rev. Lett. 72, 2211 (1994); P. Bolhuis, M. Hagen, and D. Frenkel, Phys. Rev. E 50, 4880 (1994).
    • (1994) Phys. Rev. Lett. , vol.72 , pp. 2211
    • Bolhuis, P.1    Frenkel, D.2
  • 27
    • 85088620366 scopus 로고    scopus 로고
    • note
    • -3, and energies (per particle) in units of ∈.
  • 31
    • 5844356839 scopus 로고    scopus 로고
    • note
    • It is convenient to work with a discrete set of volume macrostates, whose construction is discussed below.
  • 32
    • 5844396617 scopus 로고    scopus 로고
    • note
    • We use the term multicanonical to describe an ensemble "extended" by the weighting of the macrostates of any macroscopic variable.
  • 33
    • 5844400891 scopus 로고    scopus 로고
    • See remarks following Eq. (19)
    • See remarks following Eq. (19).
  • 34
    • 0003431642 scopus 로고
    • edited by C.R.A. Catlow, C.S. Parker, and M.P. Allen Kluwer Academic, Dordrecht
    • D. Frenkel, in Computer Modelling of Fluids, Polymers & Solids, edited by C.R.A. Catlow, C.S. Parker, and M.P. Allen (Kluwer Academic, Dordrecht, 1990), p. 83.
    • (1990) Computer Modelling of Fluids, Polymers & Solids , pp. 83
    • Frenkel, D.1
  • 35
    • 5844347632 scopus 로고    scopus 로고
    • note
    • One must allow for the nonuniformity of the macrostate spacing when constructing the probability density for v from the discrete macrostate probabilities.
  • 37
    • 5844374319 scopus 로고    scopus 로고
    • note
    • We assume, implicitly, that the visits are essentially uniformly distributed through the macrostates.
  • 38
    • 5844426357 scopus 로고    scopus 로고
    • See, however, the discussion of multistage sampling in Sec. VI
    • See, however, the discussion of multistage sampling in Sec. VI.
  • 39
    • 5844409827 scopus 로고    scopus 로고
    • note
    • r,=64), implying the need for over 300 h for just one traverse per replica.
  • 40
    • 5844373434 scopus 로고    scopus 로고
    • note
    • Indeed, although we shall proceed somewhat differently, the coexistence pressure, as well as the specific volumes of the coexisting phases, for this temperature can immediately be estimated by constructing the double tangent of the limiting multicanonical weight function.
  • 41
    • 85088620957 scopus 로고    scopus 로고
    • note
    • d scaling of the weights (determined for a smaller system) provides a fairly good initial estimate.
  • 45
    • 5844403227 scopus 로고    scopus 로고
    • private communication
    • P. Bolhuis (private communication).
    • Bolhuis, P.1
  • 48
    • 5844412753 scopus 로고    scopus 로고
    • note
    • The present study itself gives no assurance that the solid phases studied are anything more than metastable with respect to the liquid phase.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.