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利用嵌入原子类型的势函数 ,进行了B2结构Ni62 .5 Al3 7.5 单晶中热诱发马氏体相变的分子动力学模拟 .通过分析形核和非形核区域内晶格振动、应变分布等的差异 ,探讨了马氏体形核长大的微观机理 .此外 ,还讨论了Ni原子和Al原子振动性质的差异对相变的影响
The molecular dynamics simulations of heat-induced martensitic transformation in B2 single-crystal Ni62.5Al3.5 single crystals were carried out by using the potential function of the embedded atomic type. By analyzing the lattice vibration and strain distribution in the nucleation and non-nucleation regions , The microscopic mechanism of nucleation and growth of martensite is discussed.In addition, the influence of the difference of vibrational properties of Ni atoms and Al atoms on the phase transition is also discussed