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Molecular dynamics studies of thin-films of Sn on Cu

机译:铜上锡薄膜的分子动力学研究

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摘要

Using Molecular Dynamics, the evolution dynamics of Sn on the (111) and (100) surfaces of Cu have been investigated as a function of coverage and temperature. The interaction potentials are described by modified embedded atom method (MEAM) potentials. The calculated diffusion activation energies of Cu in Sn and Sn in Cu agree reasonably well with experimental values. We find that the structure of the overlayer depends on the morphology of the substrate and remains stable up to temperatures of the order of 70percent of the melting temperature of the substrate at which diffusion of Sn into the substrate and Cu atoms onto the overlayer is observed.
机译:使用分子动力学,研究了Cu在(111)和(100)表面上的Sn的演化动力学,它是覆盖率和温度的函数。相互作用电位通过改进的嵌入原子方法(MEAM)电位来描述。所计算的Sn中Cu和Sn中Cu的扩散活化能与实验值相当吻合。我们发现,覆盖层的结构取决于衬底的形态,并且在观察到Sn扩散到衬底中以及Cu原子扩散到覆盖层上时,在高达衬底熔化温度70%左右的温度下保持稳定。

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