应用分析型EAM多体势和Monte Carlo模拟方法研究了Pt-Rh合金系的表面偏聚情况.模拟结果显示,不同Pt含量的合金以及不同的表面,最外层都富集Pt原子,次外层富集Rh原子,剖面成分呈振荡分布(111)面和(100)面的成分偏聚量差别较大:(111)面的Pt原子偏聚量较(100)面小得多,且前者只有最表面3层原子发生偏聚,而后者的成分偏聚影响表面至少10层.模拟结果与已有理论和实验结果符合得很好
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