A molecular dynamics study of the mechanical properties of a double-walled carbon nanocoil

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题名:	A molecular dynamics study of the mechanical properties of a double-walled carbon nanocoil
作者:	Ju, Shin-Pon Lin, Jenn-Sen Chen, Hui-Lung Hsieh, Jin-Yuan Chen, Hsin-Tsung Weng, Meng-Hsiung Zhao, Ji-Jun Liu, Li-Zhao Chen, Ming-Chang
贡献者:	化學系
关键词:	Nanocoil Mechanical properties Molecular dynamics simulation
日期:	2014-02
上传时间:	2015-01-27 14:17:20 (UTC+8)
摘要:	Molecular dynamics simulation was used to investigate the mechanical properties of (5, 5), and (10, 10) single-walled nanocoils, as well as (5,5)@(10, 10) double-walled carbon nanocoils (CNCS). The second reactive empirical bond order potential was employed to model the interaction between carbon atoms. The atomic slip vector and sequential slip vector were used to investigate the structural variations at different strains during the tension process. The yield stress, maximum tensile strength, and Young's modulus were determined from the tensile stress-strain profiles. The results show that the nanocoils have superelastic characteristics and have a high strength similar to that of carbon nanotube with same chirality. (C) 2013 Elsevier B.V. All rights reserved.
關聯:	COMPUTATIONAL MATERIALS SCIENCE 卷: 82 頁碼: 92-99
显示于类别:	[化學系所] 期刊論文

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