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

^*Corresponding author for this work

School of Physics and Electronic Science

Fudan University

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

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.

Original language	English
Pages (from-to)	119-121
Number of pages	3
Journal	Chemical Physics Letters
Volume	474
Issue number	1-3
DOIs	https://doi.org/10.1016/j.cplett.2009.04.006
State	Published - 25 May 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.",

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

year = "2009",

month = may,

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doi = "10.1016/j.cplett.2009.04.006",

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T1 - Prediction of structural evolution for clusters

T2 - The pair potential cases

AU - Yang, Y.

AU - Sun, D. Y.

AU - Gong, X. G.

PY - 2009/5/25

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

Abstract

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