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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
Source PublicationCARBON
AbstractGraphdiyne 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.
Indexed BySCI ; EI
WOS IDWOS:000459991900009
WOS Research AreaChemistry, Physical ; Materials Science, Multidisciplinary
WOS SubjectChemistry ; Materials Science
Funding OrganizationNational Natural Science Foundation of China [11332011, 11672315, 11772347] ; Science Challenge Project [TZ2018001] ; Strategic Priority Research Program of the Chinese Academy of Sciences [XDB22040302, XDB22040303]
ContributorWu, XQ ; Liu, HB
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Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Affiliation1.{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
Recommended Citation
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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