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Effect of surface morphology and temperature on the structural stability of nanoscale wavy films

机译：表面形貌和温度对纳米级波浪膜结构稳定性的影响

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摘要

The atomic scale structural stability of freestanding wavy gold (Au) nanofilms was investigated using molecular dynamics simulations. The waviness in the Au film was formed by cleaving sinusoidal surfaces from a {100}< 100 > bulk crystal. The degree of waviness was varied by changing the wavelength of the sinusoidal surface profile. Films were then equilibrated at different temperatures (between 10 and 1080 K) and their structural stability was monitored. The MD simulation results revealed that the stability of films depends on temperature as well as the waviness of the film surface. It was shown that the size-dependent melting point depression of Au plays the dominant role in causing the structural instability of wavy films.
机译：使用分子动力学模拟研究了独立式波浪金（Au）纳米膜的原子尺度结构稳定性。通过从{100} <100>体晶体切割正弦表面来形成Au膜中的波纹。波纹度通过改变正弦表面轮廓的波长而改变。然后将膜在不同温度（10至1080 K）下平衡，并监测其结构稳定性。 MD模拟结果表明，膜的稳定性取决于温度以及膜表面的波纹度。结果表明，金的尺寸依赖性熔点降低在引起波浪膜的结构不稳定性中起主要作用。

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