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采用基于嵌入原子势模型的分子动力学方法模拟了熔融TiAl合金薄膜分别在急冷降温和连续降温两个冷却过程中微观结构的变化.通过应用原子平均能量、对分布函数和键对分析技术等对薄膜内原子局域结构进行的分析.研究表明,在降温过程中,薄膜内局域结构出现分阶段变化的特点.在急冷降温过程中,薄膜结构的变化可以分为3个阶段,而在连续降温过程中,薄膜内局域结构的变化分为2个阶段.
The molecular dynamics method based on embedded atomic potential model was used to simulate the microstructure changes of the molten TiAl alloy thin films during the two cooling processes: quenching and continuous cooling, respectively. By applying the average energy of atoms, the distribution function and key pair analysis techniques The results show that the local structure of the film changes in phases during the cooling process.During the rapid cooling process, the changes of the film structure can be divided into three stages, while in the continuous In the process of cooling, the change of the local structure in the film is divided into two stages.