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FROM:
Kailu Xiao (1,3), Jiaofu Li (2,3), Xianqian Wu (1,3), Huibiao Liu (2,3), Chenguang Huang (1,3) and Yuliang Li(2,3)
(1) Key Laboratory of Mechanics in Fluid Solid Coupling Systems, Institute of Mechanics, Chinese Academy of Sciences, Beijing, 100190, China
(2) Beijing National Laboratory for Molecular Sciences (BNLMS), CAS Key Laboratory of Organic Solids, Institute of Chemistry, Chinese Academy of Sciences, Beijing, 100081, China
(3) School of Engineering Science, University of Chinese Academy of Sciences, Beijing, 100049, China
“Nanoindentation of thin graphdiyne films: Experiments and molecular dynamics simulation”, Carbon, Vol. 144, pp 72-80, 2019
ABSTRACT: 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 CeC 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.
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