Effects of Sc on the vacancy and solute behaviours in aluminium  

作　　者：Xingpu Zhang Liangliang Xu Wenxin Hu Haofei Zhou Jiangwei Wang 

机构地区：[1]Center of Electron Microscopy and State Key Laboratory of Silicon Materials,School of Materials Science and Engineering,Zhejiang University,Hangzhou 310027,China [2]Wenzhou Key Laboratory of Novel Optoelectronic and Nano Materials,Institute of Wenzhou,Zhejiang University,Wenzhou 325006,China [3]Department of Electrical Engineering,Hanyang University,Seoul 04763,South Korea [4]State Key Laboratory of Baiyunobo Rare Earth Resource Researches and Comprehensive Utilization,Baotou Research Institute of Rare Earths,Baotou 014030,China [5]Department of Engineering Mechanics,Center for X-Mechanics,Zhejiang University,Hangzhou 310027,China

出　　处：《Journal of Materials Science & Technology》2023年第17期41-51,共11页材料科学技术（英文版）

基　　金：financially supported by the National Natural Science Foundation of China(Nos.52071284 and 51771172);the Zhejiang Provincial Natural Science Foundation of China(No.LQ22E010003).

摘　　要：Element Sc is a promising candidate for optimizing the high-temperature mechanical properties of Al alloys.In this study,the Sc-solute,Al_(3) Sc-vacancy and Al_(3) Sc-solute interactions in aluminium are inves-tigated extensively by using first-principles calculations.The correlation between the various interaction energies and the solute atomic size,and the Sc-solute compound formation energy has been evaluated.A negative correlation between the first nearest neighbour Sc-solute binding energies and the lowest Sc-solute compound formation energies has been identified,while the second nearest neighbour Sc-solute binding energies increase monotonically with the solute atomic size.Al_(3) Sc precipitates can bind vacancy strongly at the specific atomic site,but their relatively low number density limits their influence on va-cancy behaviours during the ageing period shortly after quenching.Compared to the atomic size,the trend for solute segregating at the interface between Al_(3) Sc precipitate and Al bulk is more strongly re-lated to the Sc-solute binding energy.The calculated results can clarify the available experimental obser-vations for Al-Sc,Al-Cu,Al-Mg-Si and Al-Zn-Mg-Cu alloys,and it is hoped to guide the design of high-performance Al alloys.

关 键 词：Al alloys First-principles calculations Sc-solute binding Al_(3)Sc-vacancy interaction Al_(3)Sc-solute interaction 

分 类 号：TG146.21[一般工业技术—材料科学与工程]