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https://irlib.pccu.edu.tw/handle/987654321/29257
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| Title: | A molecular dynamics study of the mechanical properties of a double-walled carbon nanocoil |
| Authors: | 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 |
| Contributors: | 化學系 |
| Keywords: | Nanocoil
Mechanical properties
Molecular dynamics simulation |
| Date: | 2014-02 |
| Issue Date: | 2015-01-27 14:17:20 (UTC+8) |
| Abstract: | 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. |
| Relation: | COMPUTATIONAL MATERIALS SCIENCE 卷: 82 頁碼: 92-99 |
| Appears in Collections: | [Department of Chemistry & Graduate Institute of Applied Chemistry ] journal articles
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