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采用反映原子多体相互作用的 FS势模型 ,通过分子动力学方法对液态 Ni3Al的冷却过程进行了研究 ,考察了不同温度下 Ni3Al结构变化特点 .并给出了合金 Ni3Al冷却过程微观结构转变的重要信息 .对模拟的结果用热运动理论、从能量转换的角度给出了一些解释 .
The cooling process of liquid Ni3Al was studied by molecular dynamics method using the FS potential model which reflects the interaction of atomic multibody and the change of the structure of Ni3Al at different temperatures was investigated. The importance of microstructure transformation during the cooling of Ni3Al alloy was also given Information. The results of the simulation using the theory of thermal motion, some explanations from the energy conversion point of view.