以C60富勒烯之间掺杂有不同浓度Ar原子的碳纳米豆荚为研究对象,采用分子动力学方法,模拟了纳米豆荚中C60富勒烯之间的碰撞与能量传递,分析了入射C60富勒烯初始能量、Ar掺杂浓度对能量传递率的影响.研究表明,C60富勒烯之间是通过相互压缩变形来传递能量的;入射C60富勒烯的初始能量以及Ar掺杂浓度越低,C60富勒烯间的能量传递率就越高.
参考文献
[1] | Treacy M M J;Ebbesen T W;Gibson J M .Exceptionally high young's modulus observed for individual carbon nanotubes[J].Nature,1996,381(6548):678-680. |
[2] | Lourie O.;Wagner HD. .Evaluation of Young's modulus of carbon nanotubes by micro-Raman spectroscopy[J].Journal of Materials Research,1998(9):2418-2422. |
[3] | Dai HJ.;Rinzler AG.;Colbert DT.;Smalley RE.;Hafner JH. .NANOTUBES AS NANOPROBES IN SCANNING PROBE MICROSCOPY[J].Nature,1996(6605):147-150. |
[4] | Rueckes T;Kim K;Joselevich E et al.Carbon nanotube -based nonvolatile random access memory for molecular computing[J].Science,2000,289:94-97. |
[5] | 丁印锋,张志滨,柯学志,朱志远,朱德彰,王震遐,徐洪杰.低能碳原子通过单壁碳纳米管的计算机模拟研究[J].核技术,2005(04):301-304. |
[6] | Hornbacker D J;Kagng S J .Mapping the one-dimensional electronic states of nanotube peapod structures[J].Science,2002,295:828-831. |
[7] | Chikkannanavar SB;Luzzi DE .Synthesis of peapods using substrate-grown SWNTs and DWNTs: An enabling step toward peapod devices[J].Nano letters,2005(1):151-155. |
[8] | Savas Berber;Young-Kyun Kwon;David Tománek .Microscopic formation mechanism of nanotube peapods[J].Physical Review Letters,2002,88(18):185502-1-185502-4. |
[9] | Martin Saunders;James Cross R;Hugo A .Noble gas atoms inside fullerenes[J].Science,1996,271:1693-1697. |
[10] | Boris Ni;Susan B Sinnott .Compression of carbon nanotubes filled with C60,CH4,or Ne:predictions from molecular dynamics simulations[J].Physical Review Letters,2002,88(20):205505-1-205505-4. |
[11] | 沈海军,姚卫星,史友进.纳米碳管在HyperChem中的自动生成及其力学性能探究[J].计算机与应用化学,2004(03):485-488. |
[12] | Hypercube Inc.User's manual of HyperChem (R) Realse 7[M].Hypercube Inc,2002 |
[13] | Fletcher R;Reeves C.Function minimization by conjugate gradients[J].Computer Journal,1964(07):149-153. |
[14] | Tersoff J .New empirical model for the structural properties of silicon[J].Physical Review Letters,1986,56(06):632-635. |
[15] | Teleman O;J¨onsson B .A molecular dynamics simulation of a water model with intramolecular degrees of freedom[J].Molecular Physics,1987,60(01):193-203. |
[16] | Marcin Kosmider;Mariusz Soko .Structural and dynamic properties of water confined inside a single-walled carbon nanotube molecular dynamics study[J].Materials Science-Poland,2005,23(02):475-482. |
[17] | Holly B. Lavender;Anne B. McCoy .Transition State Dynamics of Ar_n(ClHCl) (n = 0 - 5): Effects of Complex Formation on the Dynamics and Spectroscopy[J].The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory,2000(3):644-651. |
[18] | Rafizadeh H A .An analytical -potential approach to the lattice dynamics of graphite[J].Physica,1974,74:135-150. |
上一张
下一张
上一张
下一张
计量
- 下载量()
- 访问量()
文章评分
- 您的评分:
-
10%
-
20%
-
30%
-
40%
-
50%