Abstract

Results of numerical simulations of fracture of nanocrystals of the TiAl₃ intermetallic compound by the molecular dynamics method are reported. The TiAl₃ nanocrystals are subjected to uniaxial tension in a wide range of temperatures (300–1200 K). It is demonstrated that tension of nanocrystals of the TiAl₃intermetallic compound heated approximately up to 1000 K first leads to a phase transition from the crystalline to liquid state, followed by fracture. Fracture of a heated TiAl₃ nanowire is preceded by deformation in the superplasticity regime.

中文翻译：

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TiAl3金属间化合物纳米晶断裂的分子动力学数值模拟

摘要

报道了通过分子动力学方法对TiAl ₃金属间化合物的纳米晶断裂进行数值模拟的结果。TiAl ₃纳米晶体在很宽的温度范围内（300-1200 K）受到单轴拉伸。结果表明，TiAl ₃金属间化合物的纳米晶体的张力加热到大约 1000 K，首先导致从结晶态到液态的相变，然后断裂。加热的 TiAl ₃纳米线断裂之前是超塑性状态下的变形。