Interatomic potential fitted for lead

D. Y. Sun; Y. Xiang; X. G. Gong

doi:10.1080/01418619908210402

Interatomic potential fitted for lead

D. Y. Sun
, Y. Xiang
, X. G. Gong

CAS - Institute of Solid State Physics
University of Science and Technology of China
China Center of Advanced Science and Technology World Laboratory

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2 引用（Scopus）

摘要

By using the recently improved generalized-simulated-annealing algorithm and the molecular dynamics method, we numerically fit an interatomic potential for lead. The potential obtained can correctly reproduce many physical properties of lead in crystalline and non-crystalline phases. The surface energy and surface relaxation obtained are in good agreement with the experimental results. The melting point predicted by this potential is very close to the experimental data. The present potential is used to study the surface melting and liquid structure; good agreement with experimental results is observed.

源语言	英语
页（从-至）	1953-1961
页数	9
期刊	Philosophical Magazine A: Physics of Condensed Matter, Structure, Defects and Mechanical Properties
卷	79
期	8
DOI	https://doi.org/10.1080/01418619908210402
出版状态	已出版 - 8月 1999
已对外发布	是

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abstract = "By using the recently improved generalized-simulated-annealing algorithm and the molecular dynamics method, we numerically fit an interatomic potential for lead. The potential obtained can correctly reproduce many physical properties of lead in crystalline and non-crystalline phases. The surface energy and surface relaxation obtained are in good agreement with the experimental results. The melting point predicted by this potential is very close to the experimental data. The present potential is used to study the surface melting and liquid structure; good agreement with experimental results is observed.",

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N2 - By using the recently improved generalized-simulated-annealing algorithm and the molecular dynamics method, we numerically fit an interatomic potential for lead. The potential obtained can correctly reproduce many physical properties of lead in crystalline and non-crystalline phases. The surface energy and surface relaxation obtained are in good agreement with the experimental results. The melting point predicted by this potential is very close to the experimental data. The present potential is used to study the surface melting and liquid structure; good agreement with experimental results is observed.

AB - By using the recently improved generalized-simulated-annealing algorithm and the molecular dynamics method, we numerically fit an interatomic potential for lead. The potential obtained can correctly reproduce many physical properties of lead in crystalline and non-crystalline phases. The surface energy and surface relaxation obtained are in good agreement with the experimental results. The melting point predicted by this potential is very close to the experimental data. The present potential is used to study the surface melting and liquid structure; good agreement with experimental results is observed.

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DO - 10.1080/01418619908210402

M3 - 文章

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SN - 0141-8610

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JO - Philosophical Magazine A: Physics of Condensed Matter, Structure, Defects and Mechanical Properties

JF - Philosophical Magazine A: Physics of Condensed Matter, Structure, Defects and Mechanical Properties

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Interatomic potential fitted for lead

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