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Influence of film thickness and surface orientation on melting behaviors of copper nanofilms

机译:膜厚和表面取向对铜纳米膜熔融行为的影响

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摘要

The effects of film thickness and surface orientation on melting behaviors of copper nanofilms were investigated by molecular dynamics simulations. A stepwise heating scheme was adopted to make sure that the nanofilms reached thermal equilibrium before further temperature increase. Melting of the nanofilms was monitored by examining the equilibrium potential energy, radial distribution function, and mean square displacement of the simulated nanofilms. From the simulation, the melting was observed to occur at a specific temperature within 1 K error, unlike the progressive melting process reported in the literature. The melted temperature and the latent heat of fusion of the nanofilms were found to increase with film thickness and approach the bulk value. The nanofilms with (111) surface have the highest melted temperature and the largest latent heat of fusion as compared to the ones with (001) and (011) surfaces, which could be explained by the lowest surface energy of (111) surface.
机译:通过分子动力学模拟研究了膜厚和表面取向对铜纳米膜熔融行为的影响。采用逐步加热方案以确保纳米膜在进一步升高温度之前达到热平衡。通过检查模拟纳米薄膜的平衡势能,径向分布函数和均方位移来监测纳米薄膜的熔融。从模拟中观察到熔化发生在1 K误差内的特定温度下,这与文献中报道的渐进熔化过程不同。发现纳米膜的熔融温度和熔融潜热随着膜厚度的增加而增加并接近体积值。与具有(001)和(011)表面的纳米膜相比,具有(111)表面的纳米膜具有最高的熔融温度和最大的熔融潜热,这可以用(111)表面的最低表面能来解释。

著录项

  • 来源
    《Journal of Materials Research》 |2014年第4期|535-541|共7页
  • 作者单位

    Department of Aircraft Engineering, Air Force Institute of Technology, Kaohsiung 820, Taiwan;

    Department of Mechanical Engineering, National Cheng Kung University, Tainan 701, Taiwan;

    Department of Mechanical Engineering, National Cheng Kung University, Tainan 701, Taiwan;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
  • 原文格式 PDF
  • 正文语种 eng
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