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Molecular dynamics studies of thin-films of Sn on Cu

机译:Cu上Sn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,Cu(111)和(100)表面上的Sn的演化动力学作为覆盖和温度的函数研究。通过修改的嵌入式原子方法(MEAM)电位描述相互作用电位。 Cu中Cu和Cu中的Cu的计算的扩散活化能量与实验值相当好。我们发现叠层的结构取决于基板的形态,并且保持稳定到70%的熔融温度的温度,其在将Sn的扩散到基板中的熔融温度和Cu原子上被观察到覆盖层上。

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