Effect of Strain Rate, Temperature, Vacancy, and Microcracks on Mechanical Properties of 8-16-4 Graphyne

doi:10.3390/nano14060556

CORC > 力学研究所 > 中国科学院力学研究所 > 非线性力学国家重点实验室

	Effect of Strain Rate, Temperature, Vacancy, and Microcracks on Mechanical Properties of 8-16-4 Graphyne
	Peng, Qing 4,5,6; Huang, Zeyu 2,3,5; Chen, Gen 2,3,5; Zhang, Yuqiang 2,3; Zhang, Xiaofan 1,5; Chen, Xiao-Jia 6; Hu, Zhongwei 2,3
刊名	NANOMATERIALS
	2024-03-01
卷号	14 期号:6 页码:15
关键词	8-16-4 graphyne mechanical properties molecular dynamics vacancy defect microcrack
DOI	10.3390/nano14060556
通讯作者	Peng, Qing(pengqing@imech.ac.cn) ; Chen, Xiao-Jia(xjchen@hit.edu.cn) ; Hu, Zhongwei(huzhongwei@hqu.edu.cn)
英文摘要	The 8-16-4 graphyne, a recently identified two-dimensional carbon allotrope, exhibits distinctive mechanical and electrical properties, making it a candidate material for flexible electronic applications. This study endeavors to enhance our comprehension of the fracture behavior and mechanical properties of 8-16-4 graphyne. The mechanical properties of 8-16-4 graphyne were evaluated through molecular dynamics simulations, examining the impact of boundary conditions, temperature, and strain rate, as well as the coupled interactions between temperature, vacancy defects, and microcracks. The findings reveal that 8-16-4 graphyne undergoes fracture via the cleavage of ethylene bonds at a critical strain value of approximately 0.29. Variations in boundary conditions and strain rate influence the fidelity of tensile simulation outcomes. Temperature, vacancy concentration, and the presence of microcracks markedly affect the mechanical properties of 8-16-4 graphyne. In contrast to other carbon allotropes, 8-16-4 graphyne exhibits a diminished sensitivity to vacancy defects in its mechanical performance. However, carbon vacancies at particular sites are more prone to initiating cracks. Furthermore, pre-existing microcracks within the material can potentially alter the fracture mode.
资助项目	Shenzhen Science and Technology Program
WOS关键词	ELECTRONIC-PROPERTIES ; ELASTIC PROPERTIES ; TENSILE BEHAVIOR ; LAYER GRAPHENE ; CARBON ; FRACTURE ; SIZE ; MONOLAYER ; STRENGTH ; DEFECTS
WOS研究方向	Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
语种	英语
WOS记录号	WOS:001192443500001
资助机构	Shenzhen Science and Technology Program
内容类型	期刊论文
源URL	[http://dspace.imech.ac.cn/handle/311007/94875]
专题	力学研究所_非线性力学国家重点实验室
通讯作者	Peng, Qing; Chen, Xiao-Jia; Hu, Zhongwei
作者单位	1.Chongqing Univ, Coll Aerosp Engn, Chongqing 400044, Peoples R China 2.Huaqiao Univ, Inst Mech Engn & Automat, Xiamen 361021, Peoples R China 3.Huaqiao Univ, Inst Mfg Engn, Xiamen 361021, Peoples R China 4.Guangdong Aerosp Res Acad, Guangzhou 511458, Peoples R China 5.Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China 6.Harbin Inst Technol, Sch Sci, Shenzhen 518055, Peoples R China
推荐引用方式 GB/T 7714	Peng, Qing,Huang, Zeyu,Chen, Gen,et al. Effect of Strain Rate, Temperature, Vacancy, and Microcracks on Mechanical Properties of 8-16-4 Graphyne[J]. NANOMATERIALS,2024,14(6):15.
APA	Peng, Qing.,Huang, Zeyu.,Chen, Gen.,Zhang, Yuqiang.,Zhang, Xiaofan.,...&Hu, Zhongwei.(2024).Effect of Strain Rate, Temperature, Vacancy, and Microcracks on Mechanical Properties of 8-16-4 Graphyne.NANOMATERIALS,14(6),15.
MLA	Peng, Qing,et al."Effect of Strain Rate, Temperature, Vacancy, and Microcracks on Mechanical Properties of 8-16-4 Graphyne".NANOMATERIALS 14.6(2024):15.