采用半经验的Gupta多体势结合分子动力学方法,系统的研究了Ni38、Pd38、Pt38团簇的熔化特性,我们发现这3种团簇的熔化行为均有别于热熔曲线呈现一宽峰的满壳层结构的团簇的熔化行为,其热熔曲线均无明显宽峰,通过对团簇原子等价指数的分析表明出现这种异常熔化行为的主要原因是因为在团簇预熔化过程中出现了两种动力学结构(Oh与类Ih结构)之间的竞争.%The melting properties of Ni38、Pd38 and Pt38clusters are systematically investigated by molecular dynamical simulations combined with the Gupta-type many-body potential. We found that for these 38-atom clusters there are no broadening peaks in the heat capacity curve, this melting behavior is substantially different from that in the conventional melting of a cluster where the heat capacity curve exhibits a broadening peak. By analyzing the atomic equivalence indexes the origin of the abnormal melting properties can be attributed to the competition between two dynamical structures (Oh-like and Ih-like) in the process of cluster melting.
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