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中文摘要：
采用分子动力学方法，模拟研究了6种不同组合、具有正十面体壳对称构型、原子总数为魔幻数（309）的Ag—Rh双金属团簇的熔化过程。研究金属原子间作用力采用Sutton—Chen多体作用势能模型，初始构象取自半巨正则系综Monte Carlo模拟结果。通过分析模拟所得到的平均单原子势能Ua和等容热容Cv与温度的关系，得出各团簇的熔点，还发现Ag—Rh双金属团簇熔点与团簇中Ag原子数的增加呈近似线性相关。
英文摘要：
The melting behavior of 309-atom Ag-Rh bimetallic clusters of 6 different compositions, with decahedral shell-symmetric configuration, is investigated by using molecular dynamics simulation, based on Sutton-Chen many-body potential. The initial atomic configurations are obtained from semi-grand canonical ensemble Monte Carlo simulation. The melting points of the 6 Ag-Rh bimetallic clusters are determined by analyzing the temperature dependence of the average atomic potential Ua and the isochoric heat capacity Cv. Furthermore, it is found that the melting points of the Ag-Rh bimetallic clusters are approximately linearly related to the number of Ag atoms in the clusters.
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