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Volumn 15, Issue 3, 1999, Pages 311-340

Efficient Monte Carlo sampling by direct flattening of free energy barriers

Author keywords

Asymmetric first order phase transitions; Binary lipid bilayers; Histograms; Interfacial melting; Monte Carlo simulation; Multicanonical sampling; Non Boltzmann sampling; Shape functions; Spectral free energies

Indexed keywords


EID: 0001742904     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0927-0256(99)00023-3     Document Type: Article
Times cited : (30)

References (127)
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    • note
    • BT) of the partition function.
  • 85
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    • note
    • β,p(V) is denoted by an italic roman capital, like the ensemble average 〈Mathematical script capital V〉 of the system volume in the isobaric ensemble, although both quantities are conceptually and therefore in general also numerically different. However, the meaning of the symbol V should always be clear from the context.
  • 86
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    • note
    • B ln Ω(E) will be termed the entropy of the system, although it will in general be different from the microcanonical entropy.
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    • c, where the two coexisting phases are related by the spin-up/spin-down symmetry. Finite-size scaling results for symmetric first-order phase transitions can be found in: V. Privman (Ed.), Finite-Size Scaling and Numerical Simulation of Statistical Systems, World Scientific, Singapore, 1990; V. Privman, M.E. Fisher, J. Stat. Phys. 33 (1983) 385; K. Binder, D.P. Landau, Phys. Rev. B 30 (1984) 1477; M.E. Fisher, V. Privman, Phys. Rev. B 32 (1985) 447; K. Binder, in: K. Binder (Ed.), Applications of the Monte Carlo Method in Statistical Physics, Ch. 1, 2nd ed., Springer, Berlin, 1987.
    • (1990) Finite-Size Scaling and Numerical Simulation of Statistical Systems
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    • c, where the two coexisting phases are related by the spin-up/spin- down symmetry. Finite-size scaling results for symmetric first-order phase transitions can be found in: V. Privman (Ed.), Finite-Size Scaling and Numerical Simulation of Statistical Systems, World Scientific, Singapore, 1990; V. Privman, M.E. Fisher, J. Stat. Phys. 33 (1983) 385; K. Binder, D.P. Landau, Phys. Rev. B 30 (1984) 1477; M.E. Fisher, V. Privman, Phys. Rev. B 32 (1985) 447; K. Binder, in: K. Binder (Ed.), Applications of the Monte Carlo Method in Statistical Physics, Ch. 1, 2nd ed., Springer, Berlin, 1987.
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    • c, where the two coexisting phases are related by the spin-up/spin- down symmetry. Finite-size scaling results for symmetric first-order phase transitions can be found in: V. Privman (Ed.), Finite-Size Scaling and Numerical Simulation of Statistical Systems, World Scientific, Singapore, 1990; V. Privman, M.E. Fisher, J. Stat. Phys. 33 (1983) 385; K. Binder, D.P. Landau, Phys. Rev. B 30 (1984) 1477; M.E. Fisher, V. Privman, Phys. Rev. B 32 (1985) 447; K. Binder, in: K. Binder (Ed.), Applications of the Monte Carlo Method in Statistical Physics, Ch. 1, 2nd ed., Springer, Berlin, 1987.
    • (1984) Phys. Rev. B , vol.30 , pp. 1477
    • Binder, K.1    Landau, D.P.2
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    • c, where the two coexisting phases are related by the spin-up/spin- down symmetry. Finite-size scaling results for symmetric first-order phase transitions can be found in: V. Privman (Ed.), Finite-Size Scaling and Numerical Simulation of Statistical Systems, World Scientific, Singapore, 1990; V. Privman, M.E. Fisher, J. Stat. Phys. 33 (1983) 385; K. Binder, D.P. Landau, Phys. Rev. B 30 (1984) 1477; M.E. Fisher, V. Privman, Phys. Rev. B 32 (1985) 447; K. Binder, in: K. Binder (Ed.), Applications of the Monte Carlo Method in Statistical Physics, Ch. 1, 2nd ed., Springer, Berlin, 1987.
    • (1985) Phys. Rev. B , vol.32 , pp. 447
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  • 93
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    • K. Binder (Ed.), Ch. 1, 2nd ed., Springer, Berlin
    • c, where the two coexisting phases are related by the spin-up/spin- down symmetry. Finite-size scaling results for symmetric first-order phase transitions can be found in: V. Privman (Ed.), Finite-Size Scaling and Numerical Simulation of Statistical Systems, World Scientific, Singapore, 1990; V. Privman, M.E. Fisher, J. Stat. Phys. 33 (1983) 385; K. Binder, D.P. Landau, Phys. Rev. B 30 (1984) 1477; M.E. Fisher, V. Privman, Phys. Rev. B 32 (1985) 447; K. Binder, in: K. Binder (Ed.), Applications of the Monte Carlo Method in Statistical Physics, Ch. 1, 2nd ed., Springer, Berlin, 1987.
    • (1987) Applications of the Monte Carlo Method in Statistical Physics
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    • note
    • t(L) can alternatively be derived directly from energy histograms.
  • 100
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    • note
    • Note that the 'shifting' of the transition temperature and the 'smearing-out' of the transition are also characteristics of continuous phase transitions. In both cases finite-size scaling theory predicts the L-dependency of the positions and widths of the histogram peaks, although the underlying mechanisms and the resulting scaling laws are quite different.
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    • C. Domb, J.L. Lebowitz (Eds.), Academic Press, New York
    • S. Dietrich, in: C. Domb, J.L. Lebowitz (Eds.), Phase Transitions and Critical Phenomena, vol. 12, Academic Press, New York, 1988, p. 1.
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    • References of experimental studies and of computer simulation studies of model systems exhibiting interfacial melting can be found in Ref. [114].
  • 123
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    • note
    • For lattice models without superstructures, like the model for a binary lipid layer discussed in Section 4.1, this effect is in general less apparent.
  • 124
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    • note
    • m(L = 5) could not be determined.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.