| Phase diagram of the modified Lennard-Jones system. | |
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MedLine Citation:
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PMID: 23145734 Owner: NLM Status: In-Data-Review |
Abstract/OtherAbstract:
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An investigation of the precise determination of melting temperature in the modified Lennard-Jones system under pressure-free conditions [Y. Asano and K. Fuchizaki, J. Phys. Soc. Jpn. 78, 055002 (2009)] was extended under finite-pressure conditions to obtain the phase diagram. The temperature and pressure of the triple point were estimated to be 0.61 ε∕k(B) and 0.0018(5) ε∕σ(3), and those of the critical point were 1.0709(19) ε∕k(B) and 0.1228(20) ε∕σ(3), where ε and σ are the Lennard-Jones parameters for energy and length scales, respectively, and k(B) is the Boltzmann constant. The potential used here has a finite attractive tail and does not suffer from cutoff problems. The potential can thus be a useful standard in examining statistical-mechanical problems in which different treatments for the tail would lead to different conclusions. The present phase diagram will then be a useful guide not only for equilibrium calculations but also for nonequilibrium problems such as discussions of the limits of phase (in)stability. |
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Authors:
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Yuta Asano; Kazuhiro Fuchizaki |
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Publication Detail:
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Type: Journal Article |
Journal Detail:
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Title: The Journal of chemical physics Volume: 137 ISSN: 1089-7690 ISO Abbreviation: J Chem Phys Publication Date: 2012 Nov |
Date Detail:
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Created Date: 2012-11-13 Completed Date: - Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 0375360 Medline TA: J Chem Phys Country: United States |
Other Details:
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Languages: eng Pagination: 174502 Citation Subset: IM |
Affiliation:
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Department of Physics, Ehime University, Matsuyama 790-8577, Japan. |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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