Expansão térmica de nanotubos de carbono de duas camadas

作者: Leandro Jose Guarnetti

DOI:

关键词: Materials scienceThermal expansionCarbon nanotubeTurbine bladeCarbonInterstitial defectComposite materialWork (thermodynamics)Baseball batDiamond

摘要: The special properties of carbon nanotubes (CNTs) have inspired researchers in many technological applications. Examples macroscopic products that contain or are made CNTs tennis rackets, baseball bats, bicycle frames, lightweight wind turbine blades and boat hulls. In order to get more knowledge about the behavior these materials, either develop new applications improve actual ones, it is important investigate physical individual diverse situations. this work, using tools molecular dynamics simulations, we present three results for coefficient thermal expansion Double Walled (DWCNTs) (5.5)@(10,10) with without defects. types defects considered here atoms at interstitial sites sp connections between walls (5,5)@(10,10) DWCNT. Our methods are, first, validated by calculation Single CNT (SWCNT) (10,10) comparison result from literature. We show This discussed terms diamond.

参考文章(28)
G. Dresselhaus, M. S. Dresselhaus, Phaedon Avouris, Carbon nanotubes : synthesis, structure, properties, and applications Springer. ,(2001)
Advanced Computer Simulation Approaches for Soft Matter Sciences III Advanced Computer Simulation Approaches for Soft Matter Sciences III. ,vol. 221, ,(2005) , 10.1007/978-3-540-87706-6
G Dresselhaus, R Saito, M S Dresselhaus, Physical properties of carbon nanotubes ,(1998)
Wenzhong Bao, Feng Miao, Zhen Chen, Hang Zhang, Wanyoung Jang, Chris Dames, Chun Ning Lau, Controlled ripple texturing of suspended graphene and ultrathin graphite membranes Nature Nanotechnology. ,vol. 4, pp. 562- 566 ,(2009) , 10.1038/NNANO.2009.191
Ju Li, Basic Molecular Dynamics Handbook of Materials Modeling. pp. 565- 588 ,(2005) , 10.1007/978-1-4020-3286-8_29
William G. Hoover, Canonical dynamics: Equilibrium phase-space distributions Physical Review A. ,vol. 31, pp. 1695- 1697 ,(1985) , 10.1103/PHYSREVA.31.1695
Donald W Brenner, Olga A Shenderova, Judith A Harrison, Steven J Stuart, Boris Ni, Susan B Sinnott, A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons Journal of Physics: Condensed Matter. ,vol. 14, pp. 783- 802 ,(2002) , 10.1088/0953-8984/14/4/312
Shuichi Nosé, A unified formulation of the constant temperature molecular dynamics methods Journal of Chemical Physics. ,vol. 81, pp. 511- 519 ,(1984) , 10.1063/1.447334
Sumio Iijima, Helical microtubules of graphitic carbon Nature. ,vol. 354, pp. 56- 58 ,(1991) , 10.1038/354056A0
Steve Plimpton, Fast parallel algorithms for short-range molecular dynamics Journal of Computational Physics. ,vol. 117, pp. 1- 19 ,(1995) , 10.1006/JCPH.1995.1039