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

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China Foundry 2022年第3期19卷 225-237页

作者： Ye Wang Hui-jun Kang Yu Guo Hong-tao Chen Mao-liang Hu Ze-sheng Ji School of Materials Science and Chemical Engineering Harbin University of Science and TechnologyHarbin 150004China Key Laboratory of Materials Modification by Laser Ion 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 Engineering Huzhou CollegeHuzhou 313000ZhejiangChina

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 Mg>Cu>Fe>Si,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.

关键词： design and preparation CALPHAD first-principles calculation thermal conductivity aluminum alloy

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