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刘小刚,张顺,李百洋,郭海丁.TC4时效相变及扩散连接的分子动力学模拟[J].稀有金属材料与工程(英文),2018,47(10):3045~3051.[Liu Xiaogang,Zhang Shun,Li Baiyang and Guo Haiding.Molecular dynamics simulation of TC4 aging phase transition and diffusion bonding[J].Rare Metal Materials and Engineering,2018,47(10):3045~3051.]
Molecular dynamics simulation of TC4 aging phase transition and diffusion bonding
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Received:December 01, 2017  Revised:August 20, 2018
Key words: Molecular dynamics  TC4 ternary alloy  Radial distribution function  Phase change  Diffusion coefficient
Foundation item:航空科学基金(2015ZB52023)、中央高校基本科研业务费(NS2016022)资助
Author NameAffiliation
Liu Xiaogang,Zhang Shun,Li Baiyang and Guo Haiding  
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      In the paper, the process of TC4 aging phase transition and diffusion bonding was studied by molecular dynamics method. the radial distribution function of TC4 ternary alloy and the relative content of different crystal structures were analyzed. At the same time, the atomic concentration distribution, diffusion connection width and diffusion coefficient of diffusion bonding process under different thermal insulation temperature are studied. The results show that the structural changes of TC4 in the aging phase transition are mainly manifested in the new a phase of metastable b phase, and the b phase content reaches 23% after the state stabilizes, which is in good agreement with the experimental results. In the process of TC4 diffusion, the titanium atoms near the interface are mainly diffused, and vanadium atomic diffusion is secondary, while aluminum atom is relatively few. Under the same conditions, the diffusion connection width and thermal insulation temperature are in a good linear relationship. The diffusion coefficient of titanium is exponentially related with the temperature of heat preservation, and the results are in accordance with the experiment.