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	Mechanics of hydrogen storage in carbon nanotubes
	Chen, Y. L. ; Liu, B. ; Wu, J. ; Huang, Y. ; Jiang, H. ; Hwang, K. C.
	2010-05-07 ; 2010-05-07
关键词	Hydrogen storage Carbon nanotube Continuum model Analytical solution Atomistic simulations STONE-WALES TRANSFORMATION MOLECULAR-DYNAMICS VIRIAL-THEOREM COHESIVE LAW SIMULATION ADSORPTION BEHAVIOR NUCLEATION FRACTURE ENERGY Materials Science, Multidisciplinary Mechanics Physics, Condensed Matter
中文摘要	A continuum mechanics model is established for hydrogen storage in single- and multi-wall carbon nanotubes (CNTs) and the bundle of single-wall CNTs. The model accounts for the deformation of CNTs, and van der Waals interactions among hydrogen molecules and between hydrogen and carbon atoms. The analytical expressions of hydrogen storage (number of hydrogen molecules per unit volume) in CNTs are obtained, and are validated by atomistic simulations. CNTs are categorized as tiny, small, medium and large CNTs; tiny CNTs cannot achieve the goals of hydrogen storage (62 kg/m(3) and 6.5 wt% of hydrogen set by the US Department of Energy) without fracture; small CNTs are strained during hydrogen storage; medium CNTs can achieve the above goals without the strain and do not self collapse; and large CNTs may self collapse upon the release of hydrogen. (c) 2008 Elsevier Ltd. All rights reserved.
语种	英语 ; 英语
出版者	PERGAMON-ELSEVIER SCIENCE LTD ; OXFORD ; THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
内容类型	期刊论文
源URL	[http://hdl.handle.net/123456789/15669]
专题	清华大学
推荐引用方式 GB/T 7714	Chen, Y. L.,Liu, B.,Wu, J.,et al. Mechanics of hydrogen storage in carbon nanotubes[J],2010, 2010.
APA	Chen, Y. L.,Liu, B.,Wu, J.,Huang, Y.,Jiang, H.,&Hwang, K. C..(2010).Mechanics of hydrogen storage in carbon nanotubes..
MLA	Chen, Y. L.,et al."Mechanics of hydrogen storage in carbon nanotubes".(2010).

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