IMECH-IR  > 非线性力学国家重点实验室
Grain misorientation and grain-boundary rotation dependent mechanical properties in polycrystalline graphene
Wu JT(吴江涛); Wei YJ(魏宇杰); Wei, YJ (reprint author), Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China
Source PublicationJOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS
2013-06
Volume61Issue:6Pages:1421-1432
ISSN0022-5096
AbstractIn two-dimensional polycrystalline graphene, two angular degrees of freedom (DOF) are needed to define a general grain boundary (GB): the misorientation of two grains and the rotation of the boundary line. Via both molecular dynamics simulations and theoretical analysis, we see that the density of GB defects strongly depends on grain misorientation but is insensitive to GB rotation. And reveal the dependence of mechanical properties on grain misorientation and GB rotation in polycrystalline graphene. We find that the dependence of GB normal strength on grain misorientation and GB rotation in graphene stems from the superposition of the stress field induced by a pentagon-heptagon pair itself to that from the interaction between the other defects and the one under consideration. Based on MD simulations and ab initio calculations, we show that failure starts from the bond shared by hexagon-heptagon rings. We then apply continuum mechanics to explain the dependence of GB normal strength on the two angular DOF in graphene with pentagon-heptagon rings. The investigation showed here supplies valuable guidance to develop multiscale and multiphysics models for graphene.
KeywordPolycrystalline Graphene Grain Misorientation Grain Boundary Rotation Disclination Density Functional Theory Calculation
Subject Area固体力学
URL查看原文
Indexed BySCI ; EI
Language英语
WOS IDWOS:000318579500010
Funding OrganizationChinese Academy of Sciences (CAS); National Natural Science Foundation of China (NSFC) [11021262]; MOST 973 of China [2012BC937500]
DepartmentLNM微结构计算力学(筹)
Classification一类
Citation statistics
Cited Times:64[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/46986
Collection非线性力学国家重点实验室
Corresponding AuthorWei, YJ (reprint author), Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China
Recommended Citation
GB/T 7714
Wu JT,Wei YJ,Wei, YJ . Grain misorientation and grain-boundary rotation dependent mechanical properties in polycrystalline graphene[J]. JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS,2013,61(6):1421-1432.
APA Wu JT,Wei YJ,&Wei, YJ .(2013).Grain misorientation and grain-boundary rotation dependent mechanical properties in polycrystalline graphene.JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS,61(6),1421-1432.
MLA Wu JT,et al."Grain misorientation and grain-boundary rotation dependent mechanical properties in polycrystalline graphene".JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS 61.6(2013):1421-1432.
Files in This Item: Download All
File Name/Size DocType Version Access License
IMCAS-J2013-125.pdf(3103KB) 开放获取LicenseView Download
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Wu JT(吴江涛)]'s Articles
[Wei YJ(魏宇杰)]'s Articles
[Wei, YJ (reprint author), Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China]'s Articles
Baidu academic
Similar articles in Baidu academic
[Wu JT(吴江涛)]'s Articles
[Wei YJ(魏宇杰)]'s Articles
[Wei, YJ (reprint author), Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Wu JT(吴江涛)]'s Articles
[Wei YJ(魏宇杰)]'s Articles
[Wei, YJ (reprint author), Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China]'s Articles
Terms of Use
No data!
Social Bookmark/Share
File name: IMCAS-J2013-125.pdf
Format: Adobe PDF
This file does not support browsing at this time
All comments (0)
No comment.
 

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