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首页> 外文会议>Symposium on Growth, Evolution and Properties of Surfaces, Thin Films and Self-Organized Structures, Nov 27-Dec 1, 2000, Boston, Massachusetts, U.S.A. >Elastic Properties of Diamond-Like Amorphous Carbon Films Grown by Computer Simulation of Ion-Beam Deposition Process
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Elastic Properties of Diamond-Like Amorphous Carbon Films Grown by Computer Simulation of Ion-Beam Deposition Process

机译：离子束沉积过程的计算机模拟生长类金刚石非晶碳膜的弹性性能

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摘要

Atomic-scale calculations were performed for the first time to investigate mechanical properties of amorphous carbon films grown by a realistic simulation of ion-beam deposition. The simulated films have a thickness of a few nanometers and reproduce the main structural features of real films, with the bulk content of sp~3 bonded atoms varying from 35 to 95%, depending on the ion energy (E = 20-80 eV). Employing empirical interatomic potentials for carbon, the average bulk stresses as well as the atomic-level stress distributions were calculated and analysed. The bulk stresses were found to depend not only on the ion energy, but also on the film quality, in particular, on such structural inhomogeneities as local fluctuations of the sp~3 fraction with the depth. The local variation of the bulk stress from the average value considerably increases as the local content of sp~2 bonded atoms increases. Elastic constants of amorphous carbon films were also computed using the method of inner elastic constants, which allows for the stress dependence of elastic constants to be analysed. The variation of Young's modulus as a function of the lateral bulk stress in an amorphous film is demonstrated.
机译：首次进行了原子尺度计算，以研究通过离子束沉积的真实模拟而生长的非晶碳膜的机械性能。模拟膜的厚度为几纳米，并再现了真实膜的主要结构特征，sp〜3键合原子的整体含量从35％到95％不等，具体取决于离子能量（E = 20-80 eV） 。利用碳的经验原子间势，可以计算和分析平均体应力以及原子级应力分布。发现整体应力不仅取决于离子能量，而且取决于膜的质量，特别是取决于诸如sp〜3级分随深度的局部波动之类的结构不均匀性。随着sp〜2键合原子的局部含量增加，整体应力相对于平均值的局部变化会大大增加。还使用内部弹性常数的方法来计算非晶碳膜的弹性常数，从而可以分析弹性常数的应力依赖性。证明了在非晶膜中杨氏模量随横向整体应力的变化。

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