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论文类型： 期刊论文

发表时间： 2014-02-01

发表刊物： COMPUTATIONAL MATERIALS SCIENCE

收录刊物： SCIE、EI

卷号： 82

页面范围： 92-99

ISSN号： 0927-0256

关键字： Nanocoil; Mechanical properties; Molecular dynamics simulation

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.