Efficient determination of thermodynamic properties from a single simulation

J. M. Rickman; D. J. Srolovitz

doi:10.1063/1.465675

Efficient determination of thermodynamic properties from a single simulation

J. M. Rickman
, D. J. Srolovitz

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

9 Citations (Scopus)

Abstract

A method for calculating the density of states of a system directly from its trajectory in phase space is described. As a specific example, the method is applied to the Monte Carlo simulation of a two-dimensional Ising model. The energy distribution function is calculated from the density of states and the associated Helmholtz free energy per spin is calculated for various system sizes and temperatures and shown to be in excellent agreement with the exact results.

Original language	English
Pages (from-to)	7993-7997
Journal	The Journal of Chemical Physics
Volume	99
Issue number	10
DOIs	https://doi.org/10.1063/1.465675
Publication status	Published - 15 Nov 1993
Externally published	Yes

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title = "Efficient determination of thermodynamic properties from a single simulation",

abstract = "A method for calculating the density of states of a system directly from its trajectory in phase space is described. As a specific example, the method is applied to the Monte Carlo simulation of a two-dimensional Ising model. The energy distribution function is calculated from the density of states and the associated Helmholtz free energy per spin is calculated for various system sizes and temperatures and shown to be in excellent agreement with the exact results.",

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year = "1993",

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AU - Srolovitz, D. J.

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N2 - A method for calculating the density of states of a system directly from its trajectory in phase space is described. As a specific example, the method is applied to the Monte Carlo simulation of a two-dimensional Ising model. The energy distribution function is calculated from the density of states and the associated Helmholtz free energy per spin is calculated for various system sizes and temperatures and shown to be in excellent agreement with the exact results.

AB - A method for calculating the density of states of a system directly from its trajectory in phase space is described. As a specific example, the method is applied to the Monte Carlo simulation of a two-dimensional Ising model. The energy distribution function is calculated from the density of states and the associated Helmholtz free energy per spin is calculated for various system sizes and temperatures and shown to be in excellent agreement with the exact results.

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U2 - 10.1063/1.465675

DO - 10.1063/1.465675

M3 - RGC 21 - Publication in refereed journal

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SP - 7993

EP - 7997

JO - The Journal of Chemical Physics

JF - The Journal of Chemical Physics

IS - 10

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Efficient determination of thermodynamic properties from a single simulation

Abstract

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