Function of cleavage strength for symmetrical tilt grain boundaries

doi:10.1016/j.engfracmech.2023.109800

	Function of cleavage strength for symmetrical tilt grain boundaries
	Hu SW(胡世威)1; Liang, Hao 2; Yin, Yihui 2; Liang, Yanxiang 2; Zhang, Yuanzhang 2; Yan, Yabin 3; Li, Xiang 4
通讯作者	Hu, Shiwei(hushiwei@imech.ac.cn) ; Liang, Hao(lh-lhm@163.com)
发表期刊	ENGINEERING FRACTURE MECHANICS
	2024-01-23
卷号	295 页码:14
ISSN	0013-7944
摘要	The cleavage strength for grain boundaries (GBs) plays a crucial role in understanding the GBs' behavior and microstructure evolution during deformation. However, its universal discipline remains uncertain, and a quantitative description is currently unavailable. Here we propose the theoretical models to systematically quantify the strength of symmetrical tilt GBs in the discrete atomic perspectives. Specifically, based on the interaction of metallic atomic pairs, the interaction between the arbitrary parallel planes is expressed by considering the atomic pair distribution on both sides of the separated planes. On this basis, the function of GBs' cleavage strength is proposed by considering that the interaction at GBs is composed of the interaction of the interfaces that make up GBs and the interaction between mirror atomic pairs at both sides of the symmetry plane. Furthermore, the theoretical prediction of the critical energy release rate Gc for the sharp crack extension is proposed based on the present cleavage strength function. All the theoretical models are validated by the ab initio simulations or citations. This work quantitatively proposes the cleavage strength function of symmetrical tilt GBs, predicts the critical energy release rate for cleavage, and provides a new methodology for studying mechanical properties of materials in the discrete atomic perspectives.
关键词	Cleavage strength Grain boundaries Theoretical model Ab initio tensile simulation Critical energy release rate
DOI	10.1016/j.engfracmech.2023.109800
收录类别	SCI ; EI
语种	英语
WOS记录号	WOS:001137694700001
关键词[WOS]	TOTAL-ENERGY CALCULATIONS ; UNIVERSAL FEATURES ; 1ST-PRINCIPLES ; SEGREGATION ; EMBRITTLEMENT ; EQUATION ; HYDROGEN ; METALS
WOS研究方向	Mechanics
WOS类目	Mechanics
资助项目	National Natural Science Foundation of China[11572298]
项目资助者	National Natural Science Foundation of China
论文分区	一类
力学所作者排名	1
RpAuthor	Hu, Shiwei ; Liang, Hao
引用统计
文献类型	期刊论文
条目标识符	http://dspace.imech.ac.cn/handle/311007/94028
专题	高温气体动力学国家重点实验室
作者单位	1.Chinese Acad Sci, Inst Mech, Ctr Interdisciplinary Res Fluids, Beijing 100190, Peoples R China; 2.China Acad Engn Phys Mianyang, Inst Syst Engn, Sichuan 621999, Peoples R China; 3.East China Univ Sci & Technol, Sch Mech Power & Engn, Shanghai 200237, Peoples R China; 4.Southwest Univ Sci & Technol, Sch Mfg Sci & Engn, Mianyang 621010, Sichuan, Peoples R China
推荐引用方式 GB/T 7714	Hu SW,Liang, Hao,Yin, Yihui,et al. Function of cleavage strength for symmetrical tilt grain boundaries[J]. ENGINEERING FRACTURE MECHANICS,2024,295:14.
APA	胡世威.,Liang, Hao.,Yin, Yihui.,Liang, Yanxiang.,Zhang, Yuanzhang.,...&Li, Xiang.(2024).Function of cleavage strength for symmetrical tilt grain boundaries.ENGINEERING FRACTURE MECHANICS,295,14.
MLA	胡世威,et al."Function of cleavage strength for symmetrical tilt grain boundaries".ENGINEERING FRACTURE MECHANICS 295(2024):14.