Simulations of the nanomechanical properties of compressed small fullerenes
文献类型：期刊论文
| 作者 | Zhang, ZX; Pan, ZY; Wang, YX; Li, ZJ; Wei, Q |
| 刊名 | MODERN PHYSICS LETTERS B
 |
| 出版日期 | 2003-07-10 |
| 卷号 | 17页码:877-884 |
| 关键词 | nanomechanical properties C fullerene molecular dynamics simulation |
| ISSN号 | 0217-9849 |
| 英文摘要 | The nanomechanical properties of small fullerenes (C20, C36, C60 and C70) compressed between graphite planes are investigated based on molecular dynamics (MD) simulation using a combination of the many-body Brenner potential with a two-body potential. We find all the fullerenes exhibit similar elastic behavior even if the minimum radii of clusters in the direction of compression are reduced to 1/3 or 1/2 that of the free clusters. Both the potential energy of the system and restoring pressure on the graphite planes as functions of the axial strain are found to be reversible. This is a result of the reversible structure change. The fullerene is deformed severely into a disc-like structure due to compression. The deformation is almost saturated. In the process of decompression the free-fluerene structure is returned, and the cage rotated slightly between graphite sheets. To compare the elasticity of different fullerenes, the second order derivative of strain energy to strain is approximately calculated as a Young's modulus. The modulus becomes larger with increasing fullerene size. |
| WOS关键词 | MOLECULAR-DYNAMICS SIMULATIONS ; CARBON CLUSTERS ; C-60 ; C-20 ; BUCKMINSTERFULLERENE ; SPECTROSCOPY ; ENERGY ; C-36 |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000185500700005 |
| 出版者 | WORLD SCIENTIFIC PUBL CO PTE LTD |
| 源URL | [http://119.78.100.186/handle/113462/38728]  |
| 专题 | 中国科学院近代物理研究所 |
| 通讯作者 | Pan, ZY |
| 作者单位 | Fudan Univ, Inst Modern Phys, Shanghai 200433, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang, ZX,Pan, ZY,Wang, YX,et al. Simulations of the nanomechanical properties of compressed small fullerenes[J]. MODERN PHYSICS LETTERS B,2003,17:877-884. |
| APA | Zhang, ZX,Pan, ZY,Wang, YX,Li, ZJ,&Wei, Q.(2003).Simulations of the nanomechanical properties of compressed small fullerenes.MODERN PHYSICS LETTERS B,17,877-884. |
| MLA | Zhang, ZX,et al."Simulations of the nanomechanical properties of compressed small fullerenes".MODERN PHYSICS LETTERS B 17(2003):877-884. |
入库方式： OAI收割
来源：近代物理研究所
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