Knowledge Management System Of Shanghai Institute of Applied Physics, CAS
| Study of thermal stability of fullerenes by molecular dynamics | |
| Zhang, W（张伟）; Xu, ZJ（许子健）; Zhu, ZY（朱志远）; Zhang, W (reprint author), Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China | |
| 2005 | |
| Source Publication | INTERNATIONAL JOURNAL OF MODERN PHYSICS B
 |
| ISSN | 0217-9792 |
| Volume | 19Issue:15-17Pages:2892 |
| Abstract | The thermal stability of fullerene C(20), C(26), C(36) and C(60) is studied using Molecular Dynamics (MD) simulation based on Brenner potential in this work. Lindemann's relative root-mean-square (rms) bond-length fluctuation is used to monitor the behavior of the structural and thermal properties. The results show that the rms bond-length fluctuation becomes scattered points at relative high tempereture, which is caused by different isomerization transitions. Larger fullerenes are found to be more stable than small ones. The results are compared with those from MD simulation based on TLHT potential. Mechanic stability of fullerene C(20) is also studied. |
| Subject Area | Engineering ; Radiology, Nuclear Medicine & Medical Imaging |
| Indexed By | SCI |
| Language | 英语 |
| Funding Project | 应物所项目组 |
| Document Type | 期刊论文 |
| Identifier | http://ir.sinap.ac.cn/handle/331007/8679 |
| Collection | 中科院上海应用物理研究所2004-2010年 |
| Corresponding Author | Zhang, W (reprint author), Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China |
| Recommended Citation GB/T 7714 | Zhang, W,Xu, ZJ,Zhu, ZY,et al. Study of thermal stability of fullerenes by molecular dynamics[J]. INTERNATIONAL JOURNAL OF MODERN PHYSICS B,2005,19(15-17):2892. |
| APA | Zhang, W,Xu, ZJ,Zhu, ZY,&Zhang, W .(2005).Study of thermal stability of fullerenes by molecular dynamics.INTERNATIONAL JOURNAL OF MODERN PHYSICS B,19(15-17),2892. |
| MLA | Zhang, W,et al."Study of thermal stability of fullerenes by molecular dynamics".INTERNATIONAL JOURNAL OF MODERN PHYSICS B 19.15-17(2005):2892. |
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