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改进了用于模拟二元金属团簇稳定结构的自适应免疫优化算法(称为Tri-AIOA),并将其应用于三元金属Ag-Pd-Pt团簇的结构优化。对原子数为19的Ag-Pd-Pt团簇的优化结果表明,Tri-AIOA具有较强的优化能力和效率。该方法也被用于模拟原子数为55的Ag_nPd_(43)Pt_(12)(n=1-42)团簇稳定结构,优化结果被分为27个Mackay二十面体结构、4个五折叠饼状结构、以及11个由3个双二十面体面面相连构成的环状结构。优化结果为Ag-Pd-Pt团簇的性质研究提供了理论依据。
An adaptive immune optimization algorithm (called Tri-AIOA), which is used to simulate the stable structure of binary metal clusters, was improved and applied to the structural optimization of ternary metal Ag-Pd-Pt clusters. The optimized results of Ag-Pd-Pt clusters with 19 atoms indicate that Tri-AIOA has better optimization ability and efficiency. This method is also used to simulate the stable structure of Ag_nPd_ (43) Pt_ (12) (n = 1-42) clusters with 55 atoms. The optimized results are divided into 27 Mackay icosahedron structures, Like structure, and 11 ring structures composed of three double icosahedron surfaces. The optimized results provide a theoretical basis for the properties of Ag-Pd-Pt clusters.