IMR OpenIR
Molecular dynamic simulations on tensile mechanical properties of single-walled carbon nanotubes with and without hydrogen storage
Zhou, LG; Shi, SQ
Corresponding AuthorShi, SQ()
2002-04-01
Source PublicationCOMPUTATIONAL MATERIALS SCIENCE
ISSN0927-0256
Volume23Issue:1-4Pages:166-174
AbstractUsing a bond order potential. molecular dynamics (MD) simulations have been performed to study the mechanical properties of single-walled carbon nanotubes (SWNTs) under tensile loading with and without hydrogen storage. (10, 10) armchair and (17, 0) zigzag carbon nanotubes have been studied. Up to the necking point of the armchair carbon nanotube. two deformation stages were identified. In the first stage. the elongation of the nanotube was primarily due to the altering of angles between two neighbor carbon bonds. Young's Modulus observed in this stage was comparable with experiments. In the second stage, the lengths of carbon bonds are extended Lip to the point of fracture. The tensile strength in this stage was higher than that observed in the first stage. Similar results were also found for the zigzag carbon nanotube with a lower tensile strength. Hydrogen molecules stored in the nanotubes reduced the maximum tensile strength of the carbon nanotubes. especially for the armchair type. The effect may be attributed to the competitive formation between the hydrogen-carbon and the carbon-carbon bonds. (C) 2002 Elsevier Science B.V. All rights reserved.
Keywordhydrogen effect carbon nanotubes molecular dynamics simulation
Indexed BySCI
Language英语
WOS Research AreaMaterials Science
WOS SubjectMaterials Science, Multidisciplinary
WOS IDWOS:000175870500022
PublisherELSEVIER SCIENCE BV
Citation statistics
Cited Times:81[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/114739
Collection中国科学院金属研究所
Corresponding AuthorShi, SQ
Affiliation1.Hong Kong Polytech Univ, Dept Mech Engn, Hong Kong, Hong Kong, Peoples R China
2.Chinese Acad Sci, Met Res Inst, Shenyang 110016, Peoples R China
Recommended Citation
GB/T 7714
Zhou, LG,Shi, SQ. Molecular dynamic simulations on tensile mechanical properties of single-walled carbon nanotubes with and without hydrogen storage[J]. COMPUTATIONAL MATERIALS SCIENCE,2002,23(1-4):166-174.
APA Zhou, LG,&Shi, SQ.(2002).Molecular dynamic simulations on tensile mechanical properties of single-walled carbon nanotubes with and without hydrogen storage.COMPUTATIONAL MATERIALS SCIENCE,23(1-4),166-174.
MLA Zhou, LG,et al."Molecular dynamic simulations on tensile mechanical properties of single-walled carbon nanotubes with and without hydrogen storage".COMPUTATIONAL MATERIALS SCIENCE 23.1-4(2002):166-174.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Zhou, LG]'s Articles
[Shi, SQ]'s Articles
Baidu academic
Similar articles in Baidu academic
[Zhou, LG]'s Articles
[Shi, SQ]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Zhou, LG]'s Articles
[Shi, SQ]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.