Tensile mechanical properties of c-BN thin layers under tension: A molecular dynamics simulation

doi:10.1016/j.commatsci.2017.01.046

CORC > 兰州理工大学 > 兰州理工大学 > 省部共建有色金属先进加工与再利用国家重点实验室

	Tensile mechanical properties of c-BN thin layers under tension: A molecular dynamics simulation
	Wei, Yin 2; Wang, Hongjie 2; Lu, Xuefeng 1,2; Fan, Xingyu 2; Wei, Heng 2
刊名	COMPUTATIONAL MATERIALS SCIENCE
	2017-04-15
卷号	131 页码:315-320
关键词	c-BN Thin layers Tension property Fracture mechanism Molecular dynamics
ISSN号	0927-0256
DOI	10.1016/j.commatsci.2017.01.046
英文摘要	Molecular dynamics simulations were performed to investigate the axial tension properties and fracture mechanisms of the c-BN nano thin layers. It is found that thin layers display a linear stress-strain relationship firstly at epsilon < 0.054, and then a quasi-linear response at 0.054 < epsilon < 0.302, and finally the stresses decrease gradually until entire fracture occurs. Fracture stresses are 76, 49, 33 and 21 GPa, respectively, for 100 K, 300 K, 500 K and 700 K, and Young's modulus decreases gradually with the increasing of temperature. The deterioration in mechanical properties derives from the formation of major defects that B-N bond, tetragonum and octagon with broken bonds, and two-hexagon by the sharing of the nitrogen atom. The results not only clear the outstanding property of c-BN nano thin layers but also built relevance between the mechanical behaviors and loading conditions such as side length, temperature and strain rates. (C) 2017 Elsevier B.V. All rights reserved.
资助项目	Fundamental Research Funds for the Central University[xkjc2014009]
WOS研究方向	Materials Science
语种	英语
出版者	ELSEVIER SCIENCE BV
WOS记录号	WOS:000397361600037
状态	已发表
内容类型	期刊论文
源URL	[http://119.78.100.223/handle/2XXMBERH/33297]
专题	省部共建有色金属先进加工与再利用国家重点实验室材料科学与工程学院
通讯作者	Wang, Hongjie; Lu, Xuefeng
作者单位	1.Lanzhou Univ Technol, State Key Lab Adv Proc & Recycling Nonferrous Met, Lanzhou 730050, Peoples R China 2.Xi An Jiao Tong Univ, Sch Mat Sci & Engn, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China
推荐引用方式 GB/T 7714	Wei, Yin,Wang, Hongjie,Lu, Xuefeng,et al. Tensile mechanical properties of c-BN thin layers under tension: A molecular dynamics simulation[J]. COMPUTATIONAL MATERIALS SCIENCE,2017,131:315-320.
APA	Wei, Yin,Wang, Hongjie,Lu, Xuefeng,Fan, Xingyu,&Wei, Heng.(2017).Tensile mechanical properties of c-BN thin layers under tension: A molecular dynamics simulation.COMPUTATIONAL MATERIALS SCIENCE,131,315-320.
MLA	Wei, Yin,et al."Tensile mechanical properties of c-BN thin layers under tension: A molecular dynamics simulation".COMPUTATIONAL MATERIALS SCIENCE 131(2017):315-320.