Atomic-level diffusion at the amorphous Zr50Cu50/crystalline Cu interface: A molecular dynamics study

doi:10.1016/j.jajp.2022.100120

	Atomic-level diffusion at the amorphous Zr50Cu50/crystalline Cu interface: A molecular dynamics study
	Zhang, Wenzhe 1; Huang, Jiankang 1; Yu, Xiaoquan 1; Liu, Guangyin 1; Yanqin, Huang 1; Fan, Ding 2
刊名	JOURNAL OF ADVANCED JOINING PROCESSES
	2022-11-01
卷号	6
关键词	Molecular dynamics Interfacial diffusion Atomic structure Zrr-Cu amorphous
ISSN号	2666-3309
DOI	10.1016/j.jajp.2022.100120
英文摘要	The interdiffusion and atomic structure of the interface between metallic glass Zr(50)Cu(50 )and crystalline Cu were investigated using molecular dynamics simulations. We show that the interdiffusion of atoms at the amorphous/ crystalline interface is mainly manifested as the diffusion of crystalline Cu atoms into amorphous atoms, and only a very small amount of amorphous atoms diffuse into crystalline Cu. And the temperature and diffusion time are proportional to the thickness of the diffusion layer. The H-A bond index and Voronoi polyhedron distribution method were used to analyze the structure type and cluster distribution of the interface atoms. the results show that the diffusion will cause the amorphization of the atoms on the crystal side of the interface, and the higher the temperature and the longer the diffusion time, the higher the degree of amorphization of the interface atoms. And the size of the amorphized region is related to the temperature, and the dividing plane between the amorphized atoms and the crystal atoms gradually moves to the crystal side with the increase of temperature. In addition, the diffusion behavior of atoms at the amorphous/crystal interface with different crystal orientations exhibits anisotropy, and some atoms at the interface between the 110 oriented crystal and amorphous are transformed from FCC structure to HCP structure during the diffusion process.
WOS研究方向	Materials Science ; Metallurgy & Metallurgical Engineering
语种	英语
出版者	ELSEVIER
WOS记录号	WOS:000822573800002
内容类型	期刊论文
源URL	[http://ir.lut.edu.cn/handle/2XXMBERH/159482]
专题	材料科学与工程学院
作者单位	1.Lanzhou Univ Technol, State Key Lab Adv Proc & Recycling Nonferrous Met, Lanzhou 730050, Peoples R China; 2.Lanzhou Univ Technol, Mat Sci & Engn Coll, Lanzhou 730050, Peoples R China
推荐引用方式 GB/T 7714	Zhang, Wenzhe,Huang, Jiankang,Yu, Xiaoquan,et al. Atomic-level diffusion at the amorphous Zr50Cu50/crystalline Cu interface: A molecular dynamics study[J]. JOURNAL OF ADVANCED JOINING PROCESSES,2022,6.
APA	Zhang, Wenzhe,Huang, Jiankang,Yu, Xiaoquan,Liu, Guangyin,Yanqin, Huang,&Fan, Ding.(2022).Atomic-level diffusion at the amorphous Zr50Cu50/crystalline Cu interface: A molecular dynamics study.JOURNAL OF ADVANCED JOINING PROCESSES,6.
MLA	Zhang, Wenzhe,et al."Atomic-level diffusion at the amorphous Zr50Cu50/crystalline Cu interface: A molecular dynamics study".JOURNAL OF ADVANCED JOINING PROCESSES 6(2022).