Atomic mechanisms for the fracture of AlMo0.5NbTa0.5TiZr refractory high entropy superalloy

doi:10.1016/j.ijplas.2024.104176

IMECH-IR > 非线性力学国家重点实验室

	Atomic mechanisms for the fracture of AlMo0.5NbTa0.5TiZr refractory high entropy superalloy
	Cao FH(曹富华)1 ; Li HY(李洪毅)2,3; Chen Y(陈艳)2,3 ; Wang HY(汪海英)2,3 ; Peng,Zheng 4; Dai LH(戴兰宏)2,3
通讯作者	Cao, Fuhua([email protected]) ; Dai, Lan-Hong([email protected])
发表期刊	INTERNATIONAL JOURNAL OF PLASTICITY
	2024-12-01
卷号	183 页码:22
ISSN	0749-6419
摘要	Refractory high entropy superalloys (RHESs), known for their excellent high temperature performance, exhibit promising characteristics but are challenged by significant brittleness. Efforts to enhance plasticity through microstructure regulation have achieved only limited success, largely due to the unclear underlying fracture mechanisms of the superstructure. In this study, we systematically investigate the fracture mechanisms of the AlMo0.5NbTa0.5TiZr RHES from microscopic to electronic scales. Interestingly, both experimental and simulation results reveal that the ordered B2 phase demonstrates non-negligible plastic deformation capabilities during fracture, including deformation twinning and amorphization. Despite this, the fracture resistance of the B2 phase is lower compared to the A2/B2 interface and disordered A2 phase, even though the A2 phase shows less twinning and amorphization. Ab initio molecular dynamics simulations, combined with electronic behavior analysis, indicate that bonds involving Al and Zr in the B2 phase often exist in an anti-bonding state, making them more prone to breaking under load. This study provides deeper insights into the fracture mechanisms of the A2/B2 superstructure and its constituent phases at both atomic and electronic levels, offering a systematic approach to improving the fracture properties of such RHESs.
关键词	Refractory HEA Fracture Crack propagation Molecular dynamics Density-functional theory
DOI	10.1016/j.ijplas.2024.104176
收录类别	SCI ; EI
语种	英语
WOS记录号	WOS:001359874800001
关键词[WOS]	LATTICE DISTORTION ; ALLOY ; MICROSTRUCTURE ; INHOMOGENEITY ; PRECIPITATION ; STABILITY ; DUCTILE ; METALS ; RE
WOS研究方向	Engineering ; Materials Science ; Mechanics
WOS类目	Engineering, Mechanical ; Materials Science, Multidisciplinary ; Mechanics
资助项目	NSFC[U2141204] ; NSFC[12472084] ; NSFC[12102433] ; NSFC Basic Science Center Program[11988102] ; Strategic Priority Research Program[XDB22040302] ; Strategic Priority Research Program[XDB22040303] ; Key Research Program of Frontier Sciences[QYZDJSSW-JSC011] ; Science Challenge Project[TZ2016001] ; Opening project of State Key Laboratory of Explosion Science and Technology
项目资助者	NSFC ; NSFC Basic Science Center Program ; Strategic Priority Research Program ; Key Research Program of Frontier Sciences ; Science Challenge Project ; Opening project of State Key Laboratory of Explosion Science and Technology
论文分区	一类
力学所作者排名	1
RpAuthor	Cao, Fuhua ; Dai, Lan-Hong
引用统计
文献类型	期刊论文
条目标识符	http://dspace.imech.ac.cn/handle/311007/97490
专题	非线性力学国家重点实验室
作者单位	1.Cent South Univ, Sch Mat Sci & Engn, Changsha 410083, Peoples R China; 2.Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China; 3.Univ Chinese Acad Sci, Sch Engn Sci, Beijing 101408, Peoples R China; 4.Natl Univ Def Technol, Sci & Technol Adv Ceram Fibers & Composites Lab, Changsha 410073, Peoples R China
推荐引用方式 GB/T 7714	Cao FH,Li HY,Chen Y,et al. Atomic mechanisms for the fracture of AlMo0.5NbTa0.5TiZr refractory high entropy superalloy[J]. INTERNATIONAL JOURNAL OF PLASTICITY,2024,183:22.Rp_Au:Cao, Fuhua, Dai, Lan-Hong
APA	曹富华,李洪毅,陈艳,汪海英,Peng,Zheng,&戴兰宏.(2024).Atomic mechanisms for the fracture of AlMo0.5NbTa0.5TiZr refractory high entropy superalloy.INTERNATIONAL JOURNAL OF PLASTICITY,183,22.
MLA	曹富华,et al."Atomic mechanisms for the fracture of AlMo0.5NbTa0.5TiZr refractory high entropy superalloy".INTERNATIONAL JOURNAL OF PLASTICITY 183(2024):22.