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Article: Efficient determination of thermodynamic properties from a single simulation

TitleEfficient determination of thermodynamic properties from a single simulation
Authors
Rickman, J. M.Srolovitz, D. J.
Issue Date1993
Citation
The Journal of Chemical Physics, 1993, v. 99, n. 10, p. 7993-7997 How to Cite?
DOI: http://dx.doi.org/10.1063/1.465675
AbstractA 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. © 1993 American Institute of Physics.
Persistent Identifierhttp://hdl.handle.net/10722/303838
ISSN
0021-9606
2023 Impact Factor: 3.1
2023 SCImago Journal Rankings: 1.101
ISI Accession Number ID
WOS:A1993MH74400072

 

DC FieldValueLanguage
dc.contributor.authorRickman, J. M.-
dc.contributor.authorSrolovitz, D. J.-
dc.date.accessioned2021-09-15T08:26:07Z-
dc.date.available2021-09-15T08:26:07Z-
dc.date.issued1993-
dc.identifier.citationThe Journal of Chemical Physics, 1993, v. 99, n. 10, p. 7993-7997-
dc.identifier.issn0021-9606-
dc.identifier.urihttp://hdl.handle.net/10722/303838-
dc.description.abstractA 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. © 1993 American Institute of Physics.-
dc.languageeng-
dc.relation.ispartofThe Journal of Chemical Physics-
dc.titleEfficient determination of thermodynamic properties from a single simulation-
dc.typeArticle-
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1063/1.465675-
dc.identifier.scopuseid_2-s2.0-0005304372-
dc.identifier.volume99-
dc.identifier.issue10-
dc.identifier.spage7993-
dc.identifier.epage7997-
dc.identifier.isiWOS:A1993MH74400072-

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