Role of chemical disorder in slowing down diffusion in complex concentrated alloys

doi:10.1103/PhysRevMaterials.8.033607

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

	Role of chemical disorder in slowing down diffusion in complex concentrated alloys
	Dai, Shi-Cheng 2,3; Yang, Yong 1; Wang, Yun-Jiang 2,3
刊名	PHYSICAL REVIEW MATERIALS
	2024-03-26
卷号	8 期号:3 页码:8
ISSN号	2475-9953
DOI	10.1103/PhysRevMaterials.8.033607
通讯作者	Yang, Yong(yonyang@cityu.edu.hk) ; Wang, Yun-Jiang(yjwang@imech.ac.cn)
英文摘要	The advent of multiprincipal element alloys (MPEAs) has sparked significant interest in physical metallurgy. These alloys, distinguished by their high configurational entropy aimed at minimizing free energy, have raised intriguing questions regarding the interplay of chemical disorder and chemical short-range order (CSRO) in kinetics of MPEAs. Particularly, the widely assumed phenomenon of sluggish diffusion has come under scrutiny. Here we employ atomistic simulations to quantitatively evaluate the impact of CSRO on diffusion in a representative medium -entropy alloy. We introduce a physical order parameter to establish a quantitative correlation between CSRO and diffusivity. Surprisingly, our simulations suggest that CSRO, rather than chemical disorder, serves to suppress and localize defect diffusion. The observed link between diffusion activation energy and CSRO provides a rationale for the observed deceleration in diffusion due to chemical ordering. A linear relationship between diffusion activation energy and activation entropy is unveiled, aligning with the Meyer-Neldel rule, and replicating experimental results. These insights help clarify the intricate role of chemical disorder in plastic deformation of chemically disordered materials.
资助项目	National Natural Science Foundation of China[12072344] ; Strategic Priority Research Program of the Chinese Academy of Sciences[XDB0510301] ; Strategic Priority Research Program of the Chinese Academy of Sciences[XDB0620103] ; Youth Innovation Promotion Association of the Chinese Academy of Sciences ; Research Grants Council (RGC), the Hong Kong Government through the General Research Fund (GRF)[CityU 11206362] ; Research Grants Council (RGC), the Hong Kong Government through the General Research Fund (GRF)[CityU 11201721] ; City University of Hong Kong[7005933] ; City University of Hong Kong[9610603]
WOS关键词	HIGH-ENTROPY ALLOYS ; SHORT-RANGE ORDER ; TRACER DIFFUSION ; SLUGGISH DIFFUSION ; CO
WOS研究方向	Materials Science
语种	英语
WOS记录号	WOS:001195783400001
资助机构	National Natural Science Foundation of China ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Youth Innovation Promotion Association of the Chinese Academy of Sciences ; Research Grants Council (RGC), the Hong Kong Government through the General Research Fund (GRF) ; City University of Hong Kong
内容类型	期刊论文
源URL	[http://dspace.imech.ac.cn/handle/311007/94869]
专题	力学研究所_非线性力学国家重点实验室
通讯作者	Yang, Yong; Wang, Yun-Jiang
作者单位	1.City Univ Hong Kong, Coll Engn, Dept Mech Engn, Kowloon, Tat Chee Ave, Hong Kong, Peoples R China 2.Univ Chinese Acad Sci, Sch Engn Sci, Beijing 101408, Peoples R China 3.Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	Dai, Shi-Cheng,Yang, Yong,Wang, Yun-Jiang. Role of chemical disorder in slowing down diffusion in complex concentrated alloys[J]. PHYSICAL REVIEW MATERIALS,2024,8(3):8.
APA	Dai, Shi-Cheng,Yang, Yong,&Wang, Yun-Jiang.(2024).Role of chemical disorder in slowing down diffusion in complex concentrated alloys.PHYSICAL REVIEW MATERIALS,8(3),8.
MLA	Dai, Shi-Cheng,et al."Role of chemical disorder in slowing down diffusion in complex concentrated alloys".PHYSICAL REVIEW MATERIALS 8.3(2024):8.