Ni包覆石墨烯的力学性能研究

Youkai Chen, F. Zhu, Kai Tang, Ying Li, H. Liao, Xiahui Chen, Sheng Liu
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引用次数: 1

摘要

本文采用分子动力学方法研究了石墨烯和涂覆Ni的石墨烯(石墨烯-Ni)的力学行为。通过对单轴张力模拟进行分子动力学模拟,两种模型的分子动力学模拟结果表明,在相同温度下石墨烯比石墨烯- ni更不稳定。结果表明,在石墨烯表面涂覆镍原子会增加石墨烯的临界应力。此外,石墨烯的杨氏模量远低于石墨烯- ni。分别在200K、300K、500K、700K和1000K下对石墨烯和石墨烯- ni两种不同模型进行了分析,以了解温度的影响。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Mechanical properties investigation of graphene coated with Ni
This work investigated mechanical behaviors of graphene and graphene coated with Ni (graphene-Ni) by using molecular dynamics (MD) method. By performing the MD simulation for uniaxial tension simulations, it could be noted that the graphene is more unstable than graphene-Ni at the same temperature from the result of molecular dynamics simulation for two models. It is observed that nickel atoms coated on the surface of graphene can increase the critical stress of graphene. As well, the young's modulus of graphene is much lower than graphene-Ni. Two different models of graphene and grapheme-Ni were analyzed at 200K, 300K, 500K, 700K and 1000K respectively in order to understand the effect of temperature.
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