Prediction of structural evolution for clusters: The pair potential cases

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

doi:10.1016/j.cplett.2009.04.006

Prediction of structural evolution for clusters: The pair potential cases

Y. Yang
, D. Y. Sun^*
, X. G. Gong

^*此作品的通讯作者

物理与电子科学学院

Fudan University

科研成果: 期刊稿件 › 文章 › 同行评审

摘要

Two structural parameters are quantitatively defined to describe the deformation and the surface effect of clusters. Based on these two parameters, an energetic model is formulated to describe pair potential clusters. The predicated 'phase diagram' by this model is in good agreement with previous results. Current studies also demonstrate that polytetrahedral clusters, which are only favorable at small cluster sizes, have the largest deformation energy and lowest surface energy.

源语言	英语
页（从-至）	119-121
页数	3
期刊	Chemical Physics Letters
卷	474
期	1-3
DOI	https://doi.org/10.1016/j.cplett.2009.04.006
出版状态	已出版 - 25 5月 2009

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10.1016/j.cplett.2009.04.006

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title = "Prediction of structural evolution for clusters: The pair potential cases",

abstract = "Two structural parameters are quantitatively defined to describe the deformation and the surface effect of clusters. Based on these two parameters, an energetic model is formulated to describe pair potential clusters. The predicated 'phase diagram' by this model is in good agreement with previous results. Current studies also demonstrate that polytetrahedral clusters, which are only favorable at small cluster sizes, have the largest deformation energy and lowest surface energy.",

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AU - Sun, D. Y.

AU - Gong, X. G.

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Y1 - 2009/5/25

N2 - Two structural parameters are quantitatively defined to describe the deformation and the surface effect of clusters. Based on these two parameters, an energetic model is formulated to describe pair potential clusters. The predicated 'phase diagram' by this model is in good agreement with previous results. Current studies also demonstrate that polytetrahedral clusters, which are only favorable at small cluster sizes, have the largest deformation energy and lowest surface energy.

AB - Two structural parameters are quantitatively defined to describe the deformation and the surface effect of clusters. Based on these two parameters, an energetic model is formulated to describe pair potential clusters. The predicated 'phase diagram' by this model is in good agreement with previous results. Current studies also demonstrate that polytetrahedral clusters, which are only favorable at small cluster sizes, have the largest deformation energy and lowest surface energy.

UR - https://www.scopus.com/pages/publications/65549137487

U2 - 10.1016/j.cplett.2009.04.006

DO - 10.1016/j.cplett.2009.04.006

M3 - 文章

AN - SCOPUS:65549137487

SN - 0009-2614

VL - 474

SP - 119

EP - 121

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 1-3

ER -

Prediction of structural evolution for clusters: The pair potential cases

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