期刊信息
- 刊名： 河北师范大学学报（自然科学版）Journal of Hebei Normal University (Natural Science)
- 主办： 河北师范大学
- ISSN： 1000-5854
- CN： 13-1061/N
- 中国科技核心期刊
- 中国期刊方阵入选期刊
- 中国高校优秀科技期刊
- 华北优秀期刊
- 河北省优秀科技期刊
The Two-step Melting Process of the Gupta Cluster and Its Relations with the Cluster Structure
摘要/Abstract
摘要：
利用微正则经典分子动力学方法,对具有Gupta势的13粒子团簇的融化过程进行了研究.发现在Gupta势的势参量p和q取值合适的情况下,13粒子团簇的融化过程具有2步融化现象.进一步利用原子等价系数σi(t)的研究还发现,团簇的第1步融化仅涉及表面粒子的异构化过程,而第2步融化中的异构化过程则涉及团簇中所有粒子.
Abstract：
The melting process of the 13-particle clusters bound by the Gupta potential was investigatedby using classic microcanonical molecular dynamics simulation .It is found that the 13-particle cluster show a two-step melting process when the values of t he Gupt a potential parameters p and q are suitable .By using the atomic equivalence indexes σi(t),further studies are made .It is found that the first step corresponds to is omerizations involving only surface atoms and the second to isomerizations that involve all atoms .