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

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

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.

Original language	English
Pages (from-to)	1953-1961
Number of pages	9
Journal	Philosophical Magazine A: Physics of Condensed Matter, Structure, Defects and Mechanical Properties
Volume	79
Issue number	8
DOIs	https://doi.org/10.1080/01418619908210402
State	Published - Aug 1999
Externally published	Yes

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10.1080/01418619908210402

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title = "Interatomic potential fitted for lead",

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.",

author = "Sun, \{D. Y.\} and Y. Xiang and Gong, \{X. G.\}",

year = "1999",

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doi = "10.1080/01418619908210402",

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AU - Sun, D. Y.

AU - Xiang, Y.

AU - Gong, X. G.

PY - 1999/8

Y1 - 1999/8

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.

UR - https://www.scopus.com/pages/publications/0040034621

U2 - 10.1080/01418619908210402

DO - 10.1080/01418619908210402

M3 - 文章

AN - SCOPUS:0040034621

SN - 0141-8610

VL - 79

SP - 1953

EP - 1961

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

IS - 8

ER -

Interatomic potential fitted for lead

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