The chemical environment and structural ordering in liquid Mg-Y-Zn system: An ab-initio molecular dynamics investigation of melt for the formation mechanism of LPSO structure

扫码查看

原文链接

万方数据

外文摘要：In an effort to clarify the formation mechanism of LPSO structure in Mg-Y-Zn alloy,the chemical environment and structural ordering in liq-uid Mg-rich Mg-Y-Zn system are investigated with the aid of ab-initio molecular dynamics simulation.In liquid Mg-rich Mg-Y alloys,the strong Mg-Y interaction is determined,which promotes the formation of fivefold symmetric local structure.For Mg-Zn alloys,the weak Mg-Zn interaction results in the fivefold symmetry weakening in the liquid structure.Due to the coexistence of Y and Zn,the strong attractive interac-tion is introduced in liquid Mg-Y-Zn ternary alloy,and contributes to the clustering of Mg,Y,Zn launched from Zn.What is more,the distribu-tion of local structures becomes closer to that in pure Mg compared with that in binary Mg-Y and Mg-Zn alloys.These results should relate to the origins of the Y/Zn segregation zone and close-packed stacking mode in LPSO structure,which provides a new insight into the formation mechanism of LPSO structure at atomic level.

外文关键词：

Mg-Y-ZnChemical environmentStructural orderingab-initio molecular dynamics

作者：

Tangpeng Ma、Jin Wang、Kaiming Cheng、Chengwei Zhan、Jixue Zhou、Jingyu Qin、Guochen Zhao、Xinfang Zhang

展开 >

作者单位：

Shandong Provincial Key Laboratory of High Strength Lightweight Metallic Materials,Advanced Materials Institute,Qilu University of Technology(Shandong Academy of Sciences),Jinan 250014,China

Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials,Ministry of Education,Shandong University,Jinan 250061,China

School of Metallurgical and Ecological Engineering,University of Science and Technology Beijing,Beijing 100083,China

基金：

National Natural Science Foundation of China,ChinaNational Natural Science Foundation of China,ChinaYouth Innovation and Technology Support Program of Shandong Provincial Colleges and Universities,ChinaYouth Fund of Shandong Academy of Sciences,ChinaInnovation Pilot Project for Fusion of science,Education and Industry(International Cooperation)from Qilu University of TechnoloSeveral Policies on Promoting Collaborative Innovation and Industrialization of A-chievements in Universities and Research Insti

项目编号：

51901117518011162020KJA0022020QN00212019GXRC030

出版年：

2024

DOI：

10.1016/j.jma.2022.06.006

镁合金学报(英文)

ISSN：2213-9567

年,卷(期)：2024.12(2)

参考文献量36