(AgBr)_n(n=7～9)团簇的热力学行为  

Thermodynamical behavior of(AgBr)_n(n=7-9) clusters

作　　者：付喜锦[1] 李向富[1] 

机构地区：[1]陇东学院物理与电子工程学院,甘肃庆阳745000

出　　处：《兰州理工大学学报》2010年第6期63-66,共4页Journal of Lanzhou University of Technology

基　　金：陇东学院青年科技创新项目计划(XYZK0905)的资助

摘　　要：用恒温分子动力学方法研究(AgBr)n(n=7～9)团簇的热力学行为。结果表明:在中温区,(AgBr)9的结构扭曲较严重,(AgBr)7的结构发生正侧面轮换,但仍都保持着基态结构的基本构型;(AgBr)8在160 K时,结构转变为双层八元环,在160～360 K时,也存在正侧面轮换现象.Thermodynamical behavior of（AgBr）n（n=7-9） clusters were studied by using constant temperature molecular dynamics.The result showed that the structure of（AgBr）9 was seriously distorted,the face and flank of the structure were exchanged for（AgBr）7,but the profiles of ground structures for them unchanged within the range of middle temperature.For（AgBr）8 cluster,the stable structure transformed into a cage composed of two eight-ring at 160 K,the face and flank also exchanged at temperature of 160-360 K.

关 键 词：AgBr团簇 遗传算法 分子动力学 熔化 

分 类 号：O641[理学—物理化学]