基于分子动力学模拟的TiAl涂层的阻尼性能研究

Study on Damping Properties of TiAl Coatings Based on Molecular Dynamics Simulation

利用Materials Studio软件建立了具有位错缺陷的单晶TiAl涂层模型。采用LAMMPS分子动力学软件在700、800、900 K下对含有位错缺陷的单晶TiAl涂层进行模拟,得到各温度下模型的应力-应变曲线及模型的微观结构变化。通过模型的应力-应变曲线分析了各温度下模型的阻尼性能。由微观结构变化,进一步探讨了温度对含有位错缺陷涂层阻尼性能的影响。结果表明,800 K下TiAl涂层的阻尼性能最好。

A single-crystal TiAl coating model with dislocation defects was established using Materials Studio software.The single-crystal TiAl coating containing dislocation defects was simulated by using LAMMPS molecular dynamics software at 700 K,800 K and 900 K.The stress-strain curve of the model at different temperatures and the change of the microstructure of the model at different temperatures were obtained.The damping performance of the model at different temperatures was analyzed by stress-strain curves of the model.From the microstructure change,the influence of temperature on the damping performance of the coating containing dislocation defects was furtherly discussed.The results show that the damping performance of TiAl coating is best at 800 K.