Mechanical properties and failure behavior of hexagonal boron nitride sheets with nano-cracks

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	Mechanical properties and failure behavior of hexagonal boron nitride sheets with nano-cracks
	Li, Nan; Ding, Ning; Qu, Shen; Liu, Long; Guo, Weimin; Wu, Chi-Man Lawrence; Ding, N (reprint author), Qilu Univ Technol, Shandong Acad Sci, Key Lab Appl Technol Sophisticated Analyt Instrum, Jinan, Shandong, Peoples R China.; Wu, CML (reprint author), City Univ Hong Kong, Dept Mat Sci & Engn, Hong Kong, Hong Kong, Peoples R China.
刊名	ELSEVIER SCIENCE BV
	2017-12-01
卷号	140 页码:356-366
关键词	Hexagonal Boron Nitride Nano-crack Mechanical Property Fracture Failure
ISSN号	0927-0256
英文摘要	Cracks in nano-scale are common defects in the 2D materials fabricated by a chemical vapor deposition method. Mechanical performance of 2D materials might be affected significantly due to the presence of nano-cracks. In this work, the mechanical performance and failure behavior of h-BN sheets with nano-cracks were studied using molecular dynamics methods. The relationship between the mechanical properties of h-BN sheets and the type or size of cracks was analyzed. The effect of temperature and strain rate on the mechanical behaviors of h-BN sheets was discussed. Results showed that when the crack size was larger than the threshold value, the Young's modulus of h-BN sheets decreased with the increase of the crack size linearly. The increasing crack size resulted in faster decrease of the Young's modulus of the zig-zag h-BN sheet than that of the armchair h-BN sheet. The fracture strength decreased rapidly with the increasing crack size first. Then, when the crack size reached a critical value, change of the fracture strength become minor. The mechanical properties of h-BN sheets with cracks were sensitive to the variation of temperature and strain rate. The information obtained in this work would be useful for estimating the mechanical performance and failure mechanism of h-BN sheets in future application. (C) 2017 Elsevier B.V. All rights reserved.; Cracks in nano-scale are common defects in the 2D materials fabricated by a chemical vapor deposition method. Mechanical performance of 2D materials might be affected significantly due to the presence of nano-cracks. In this work, the mechanical performance and failure behavior of h-BN sheets with nano-cracks were studied using molecular dynamics methods. The relationship between the mechanical properties of h-BN sheets and the type or size of cracks was analyzed. The effect of temperature and strain rate on the mechanical behaviors of h-BN sheets was discussed. Results showed that when the crack size was larger than the threshold value, the Young's modulus of h-BN sheets decreased with the increase of the crack size linearly. The increasing crack size resulted in faster decrease of the Young's modulus of the zig-zag h-BN sheet than that of the armchair h-BN sheet. The fracture strength decreased rapidly with the increasing crack size first. Then, when the crack size reached a critical value, change of the fracture strength become minor. The mechanical properties of h-BN sheets with cracks were sensitive to the variation of temperature and strain rate. The information obtained in this work would be useful for estimating the mechanical performance and failure mechanism of h-BN sheets in future application. (C) 2017 Elsevier B.V. All rights reserved.
学科主题	Materials Science, Multidisciplinary
语种	英语
资助机构	National Natural Science Foundation of China [11404192, 11605106]; Shandong Province Special Grant for High-Level Overseas Talents [tshw20120745]; Research Award Fund for Outstanding Young and Middle-aged Scientists of Shandong Province, China [BS2014CL002]; Key Research and Development Project of Shandong Province, China [2015GSF120002]; Natural Science Foundation of Shandong province, China [ZR2014YL003]; Science and Technology Activities Foundation of China; Shandong Academy of Sciences [2015QN003, 2017QN001]
公开日期	2018-01-10
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/78963]
专题	金属研究所_中国科学院金属研究所
通讯作者	Ding, N (reprint author), Qilu Univ Technol, Shandong Acad Sci, Key Lab Appl Technol Sophisticated Analyt Instrum, Jinan, Shandong, Peoples R China.; Wu, CML (reprint author), City Univ Hong Kong, Dept Mat Sci & Engn, Hong Kong, Hong Kong, Peoples R China.
推荐引用方式 GB/T 7714	Li, Nan,Ding, Ning,Qu, Shen,et al. Mechanical properties and failure behavior of hexagonal boron nitride sheets with nano-cracks[J]. ELSEVIER SCIENCE BV,2017,140:356-366.
APA	Li, Nan.,Ding, Ning.,Qu, Shen.,Liu, Long.,Guo, Weimin.,...&Wu, CML .(2017).Mechanical properties and failure behavior of hexagonal boron nitride sheets with nano-cracks.ELSEVIER SCIENCE BV,140,356-366.
MLA	Li, Nan,et al."Mechanical properties and failure behavior of hexagonal boron nitride sheets with nano-cracks".ELSEVIER SCIENCE BV 140(2017):356-366.