摘要
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 .
Using the many body interaction FS potential,the cooling process of Ni 3Al between 2000~300 K has been studied by means of molecular dynamics simulation technique, the structure transformatiom of Ni 3Al at different temperatures has been analyzed. Some important information of microstructure transformation of Ni 3Al has been given. As viewed from energy transformation, the result has been explained in the theory of thermodynamics.
