期刊文献+

缺陷对单层碳纳米管轴压屈曲性能的影响 被引量:1

Influences of Defects on Buckling Properties of Single-Wall Carbon Nanotubes Under Axial Compression
下载PDF
导出
摘要 采用分子动力学方法,分别对含单、双原子空位缺陷的扶手椅形单层碳纳米管及其完善结构进行轴向压缩的数值模拟,对比两种长度纳米管在不同温度下的承载性能.模拟结果表明:温度越低、碳纳米管越长,完善纳米管屈曲强度的温度依赖性越显著;管壁缺陷显著降低了单层碳纳米管的承载能力,而且含缺陷碳纳米管的屈曲性能对温度变化并不敏感. This paper employs the molecular dynamic methods to numerically simulate the axial compression of both perfect and defective armchair single-wall carbon nanotubes (SWCNTs) with single- and bi-atom vacancies, and compares the temperature-dependant bearing capacities of two nanotubes with different lengths. Simulated results indicate that ( 1 ) the temperature dependence of the buckling properties of perfect SWCNTs improves with the temperature increasing, especially for the longer tube; (2) the vacancy defects on the tube wall decrease the bearing capability of the nanotubes significantly; and (3) the buckling properties of defective nanotubes are not sensitive to temperature.
出处 《华南理工大学学报(自然科学版)》 EI CAS CSCD 北大核心 2008年第6期52-55,61,共5页 Journal of South China University of Technology(Natural Science Edition)
基金 国家自然科学基金资助项目(10672059) 广东省自然科学基金资助项目(06025689)
关键词 碳纳米管 分子动力学 屈曲 温度 缺陷 carbon nanotube molecular dynamics buckling temperature defect
  • 相关文献

参考文献11

  • 1Postma H W, Teepen T, Yao Z, et al. Carbon nanotube single-electron transistors at room temperature [ J ]. Science, 2001,293 ( 5 527 ) : 76-79.
  • 2Yakobson B I, Brabec C J, Bernholc J. Nanomechanics of carbon tubes: Instabilities beyond the linear response [ J ]. Phys Rev Lett, 1996,76 (14) :2511-2514.
  • 3Ru C Q. Axially compressed buckling of a double-walled carbon nanotube embedded in an elastic medium [ J ]. J Mech Phys Solids,2001,49(6) : 1265-1279.
  • 4Yao X H, Han Q. Postbuckling prediction of doublewalled carbon nanotubes under axial compression [ J ]. European Journal of Mechanics-A/Solids, 2007,26 ( 1 ) : 20-32.
  • 5Treacy M M J, Ebbesen T W, Gibson J M. Exceptionally high Young' s modulus observed for individual carbon nanotubes [ J ]. Nature, 1996,381 ( 6 548 ) : 678- 680.
  • 6Stone A J, Wales D J. Theoretical studies of icosahedra C60 and some related species [ J ]. Chem Phys Lett, 1986,128(5-6) :501-503.
  • 7Guo Y, Karasawa N, Goddard III W A. Prediction of fullerene packing in C60 and C70 crystals [ J ]. Nature, 1991,351 (6326) :464-467.
  • 8Sears A, Batra R C. Macroscopic properties of carbon nanotubes from molecular-mechanics simulations [ J ]. Phys Rev B,2004,69 (23) :235 406.
  • 9Tuzun R E, Noid D W, Sumpter B G, et al. Dynamics of fluid flow inside carbon nanotubes [ J ]. Nanotech, 1996, 7(3 ) :241-248.
  • 10Walther J H, Jaffe R, Halicioglu T, et al. Carbon nanotubes in water: structural characteristics and energetics [ J ]. Phys Chem B ,2001 , 105 (41 ) :9 980-9 987.

同被引文献11

  • 1王磊,张洪武,王晋宝.范德华力对双壁碳纳米管轴向压缩屈曲行为的影响[J].物理学报,2007,56(3):1506-1513. 被引量:5
  • 2Song H Y,Zha X W.Si-coated single-walled carbon nano-tubes under axial loads:an atomistic simulation study[J].Physica B,2007,393:217-222.
  • 3Xin H,Han Q,Yao X H.Buckling and axially compre-ssive properties of perfect and defective single-walled car-bon nanotubes[J].Carbon,2007,45(13):2486-2495.
  • 4Xin H,Han Q,Yao X H.Buckling of defective single-walled and double-walled carbon nanotubes under axialcompression by molecular dynamics simulation[J].Com-posites Science and Technology,2008,68(7/8):1809-1814.
  • 5Brenner D W.Empirical potential for hydrocarbons for usein simulating the chemical vapor deposition of diamondfilms[J].Physical Review B,1990,42(15):9458-9471.
  • 6Guo Y,Karasawa N,Goddard III W A.Prediction offullerene packing in C60 and C70 crystals[J].Nature,1991,351:464-467.
  • 7Sears A,Batra R C.Macroscopic properties of carbonnanotubes from molecular-mechanics simulations[J].Physical Review B,2004,69(23):ART.no.235406.
  • 8Tuzun R E,Noid D W,Sumpter B G,et al.Dynamics offluid flow inside carbon nanotubes[J].Nanotechnology,1996,7(3):241-248.
  • 9Walther J H,Jaffe R,Halicioglu T,et al.Carbon nano-tubes in water:structural characteristics and energetics[J].The Journal of Physical Chemistry B,2001,105(41):9980-9987.
  • 10Rappe A K,Casewit C J,Colwell K S,et al.UFF,a fullperiodic table force field for molecular mechanics andmolecular dynamics simulations[J].Journal of theAmerican Chemical Society,1992,114(25):10024-10035.

引证文献1

相关作者

内容加载中请稍等...

相关机构

内容加载中请稍等...

相关主题

内容加载中请稍等...

浏览历史

内容加载中请稍等...
;
使用帮助 返回顶部