Nanoindentation of thin graphdiyne films: Experiments and molecular dynamics simulation

doi:10.1016/j.carbon.2018.12.029

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	Nanoindentation of thin graphdiyne films: Experiments and molecular dynamics simulation
	Xiao KL(肖凯璐); Li JF ; Wu XQ(吴先前); Liu HB ; Huang CG(黄晨光); Li YL
发表期刊	CARBON
	2019-04-01
卷号	144 页码:72-80
ISSN	0008-6223
摘要	Graphdiyne possesses not only high strength but also excellent ductility, making it possible to be used in future high-performance protective structures. In this paper, the mechanical properties of graphdiyne were firstly measured by AFM experiments, and the failure behavior during low velocity perforation was also investigated by molecular dynamics (MD) simulations. Firstly, the elastic modulus was measured to be about 218.5 GPa by AFM experiments, which is about half of its ideal value due to various defects and the layer numbers of the synthesized graphdiyne film. Then, the nanoindentation processes of graphdiyne films were investigated by MD simulations, and the elastic modulus and strength were simulated to be about 489.04 GPa and 33.95 GPa, respectively. The failure behavior of the graphdiyne film was also studied in atomic level. Sequential broken of C C, C=C and C-C bonds and recombination of the broken bonds were observed to form a unique lathy crack. Furthermore, the effects of loading speed and indenter radius on the mechanical response of graphdiyne were investigated. A revised formula was developed for analyzing the mechanical properties of films in AFM experiments under various loading conditions. (C) 2018 Elsevier Ltd. All rights reserved.
DOI	10.1016/j.carbon.2018.12.029
收录类别	SCI ; EI
语种	英语
WOS记录号	WOS:000459991900009
关键词[WOS]	MECHANICAL-PROPERTIES ; ELECTRONIC-PROPERTIES ; CARBON NANOTUBES ; POISSONS RATIO ; GRAPHYNE ; MODULUS ; OXYGEN
WOS研究方向	Chemistry, Physical ; Materials Science, Multidisciplinary
WOS类目	Chemistry ; Materials Science
项目资助者	National Natural Science Foundation of China [11332011, 11672315, 11772347] ; Science Challenge Project [TZ2018001] ; Strategic Priority Research Program of the Chinese Academy of Sciences [XDB22040302, XDB22040303]
论文分区	二类
力学所作者排名	1
RpAuthor	Wu, XQ ; Liu, HB
引用统计	被引频次：26[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://dspace.imech.ac.cn/handle/311007/78480
专题	流固耦合系统力学重点实验室
作者单位	1.{Xiao, Kailu、Wu, Xianqian、Huang, Chenguang} Chinese Acad Sci, Inst Mech, Key Lab Mech Fluid Solid Coupling Syst, Beijing 100190, Peoples R China 2.{Li, Jiaofu、Liu, Huibiao、Li, Yuliang} Chinese Acad Sci, Inst Chem, CAS Key Lab Organ Solids, BNLMS, Beijing 100081, Peoples R China 3.{Xiao, Kailu、Li, Jiaofu、Wu, Xianqian、Liu, Huibiao、Huang, Chenguang、Li, Yuliang} Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Xiao KL,Li JF,Wu XQ,et al. Nanoindentation of thin graphdiyne films: Experiments and molecular dynamics simulation[J]. CARBON,2019,144:72-80.
APA	肖凯璐,Li JF,吴先前,Liu HB,黄晨光,&Li YL.(2019).Nanoindentation of thin graphdiyne films: Experiments and molecular dynamics simulation.CARBON,144,72-80.
MLA	肖凯璐,et al."Nanoindentation of thin graphdiyne films: Experiments and molecular dynamics simulation".CARBON 144(2019):72-80.

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