硅烯的空间结构力学模型

IF 4.2 Q2 NANOSCIENCE & NANOTECHNOLOGY
M. Motamedi
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引用次数: 6

摘要

石墨烯、硅烯、锗烯、斯坦烯等二维纳米结构近年来引起了人们的广泛关注。对石墨烯的研究很多,但对其他二维结构的研究还不够广泛。本文对硅烯进行了分子动力学模拟,得到了硅烯的应力-应变曲线。然后,采用本文提出的结构分子力学方法对硅烯的力学性能进行了研究。首先,利用控制力场的关系、Lifson-Wershel势函数和结构力学关系,确定了BEAM单元的系数,并提出了硅烯的结构力学模型;然后,对尺寸为65 Å × 65 Å的硅烯薄片进行建模,得到了硅烯的杨氏模量。此外,用有限元法计算了硅烯的固有频率和振型。研究结果与其他文献的报道基本一致。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
A space structural mechanics model of silicene
The two-dimensional nanostructures such as graphene, silicene, germanene, and stanene have attracted a lot of attention in recent years. Many studies have been done on graphene, but other two-dimensional structures have not yet been studied extensively. In this work, a molecular dynamics simulation of silicene was done and stress–strain curve of silicene was obtained. Then, the mechanical properties of silicene were investigated using the proposed structural molecular mechanics method. First, using the relations governing the force field and the Lifson–Wershel potential function and structural mechanics relations, the coefficients for the BEAM elements was determined, and a structural mechanics model for silicene was proposed. Then, a silicene sheet with 65 Å × 65 Å was modeled, and Young’s modulus of silicene was obtained. In addition, the natural frequencies and mode shapes of silicene were calculated using finite element method. The results are in good agreement with reports by other papers.
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来源期刊
CiteScore
6.00
自引率
1.70%
发文量
24
期刊介绍: Proceedings of the Institution of Mechanical Engineers Part N-Journal of Nanomaterials Nanoengineering and Nanosystems is a peer-reviewed scientific journal published since 2004 by SAGE Publications on behalf of the Institution of Mechanical Engineers. The journal focuses on research in the field of nanoengineering, nanoscience and nanotechnology and aims to publish high quality academic papers in this field. In addition, the journal is indexed in several reputable academic databases and abstracting services, including Scopus, Compendex, and CSA's Advanced Polymers Abstracts, Composites Industry Abstracts, and Earthquake Engineering Abstracts.
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