Design and preparation of aluminum alloy with high thermal conductivity based on CALPHAD and first-principles calculation

作     者：Ye Wang Hui-jun Kang Yu Guo Hong-tao Chen Mao-liang Hu Ze-sheng Ji Ye Wang;Hui-jun Kang;Yu Guo;Hong-tao Chen;Mao-liang Hu;Ze-sheng Ji

作者机构：School of Materials Science and Chemical EngineeringHarbin University of Science and TechnologyHarbin 150004China Key Laboratory of Materials Modification by LaserIon and Electron Beams(Dalian University of Technology)Ministry of EducationDalian 116024LiaoningChina Key Laboratory of Solidification Control and Digital Preparation Technology(Liaoning Province)School of Materials Science and EngineeringDalian University of TechnologyDalian 116024LiaoningChina School of Science and EngineeringHuzhou CollegeHuzhou 313000ZhejiangChina 

出 版 物：《China Foundry》 (中国铸造（英文版）)

年 卷 期：2022年第19卷第3期

页      面：225-237页

核心收录：

学科分类：08[工学] 080502[工学-材料学] 0805[工学-材料科学与工程（可授工学、理学学位）] 

基　　金：the National Natural Science Foundation of China(Nos.51801045 and 52171113) the Key Laboratory of Materials Modification by Laser,Ion and Electron Beams,Ministry of Education,Dalian University of Technology(No.KF2002) 

主　　题：design and preparation CALPHAD first-principles calculation thermal conductivity aluminum alloy 

摘      要：To obtain the aluminum alloy with high thermal and mechanical properties,the effects of alloying elements and the second phases on the thermal conductivity of Al alloys were investigated by CALPHAD and first-principles calculation,*** properties of the second phases,including Young s modulus,Poisson s ratio and minimum thermal conductivity,were systematically *** show that the ranking order of the effects of the alloying elements on the thermal conductivity is MgCuFeSi,and for Al-12Si alloys,the mathematical model of the relationship between the alloying elements and the thermal conductivity can be expressed as λ=ax^(2)-bx+c when the second phase precipitates in the *** kinds of ternary phases of Al-Fe-Si have higher deformation resistance,rigidity,theoretical hardness,Debye temperature and thermal conductivity than the other phases which possibly exist in the Al-12Si *** on the guidance of CALPHAD and first-principles calculation,the optimized chemical composition of Al alloy with high conductivity is Al-11.5Si-0.4Fe-0.2Mg(wt.%)with a thermal conductivity of 137.50 W·m^(-1)·K^(-1)and a hardness of 81.3 HBW.