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晶界对于多晶块体材料的物理性能和力学性能具有重要影响,对于三晶棱体积分数较大的纳米多晶材料,深入理解晶界与材料性能之间的关系具有重要意义。为了阐明三晶棱对纳米晶平衡晶粒组织稳定性的影响,对于典型体心立方金属Fe,本文构造了两种不同三晶棱数目的柱状纳米晶模型,采用分子动力学方法,从原子尺度研究了取向差角及温度对晶粒平衡形态和长大动力学的影响,讨论了三晶棱、晶粒取向及温度对晶界迁移的影响,对于揭示含三晶棱的纳米材料稳定化过程具有重要意义。
The grain boundary plays an important role in the physical and mechanical properties of polycrystalline bulk materials. For the polycrystalline materials with large volume fraction of trigeminal edges, it is of great importance to understand the relationship between the grain boundaries and the material properties. In order to clarify the influence of trigeminal edge on the stability of nanocrystal grain structure, two typical three-dimensional prismatic nanocrystalline nanocrystals were fabricated for the typical body-centered cubic Fe. By using molecular dynamics method, The effects of orientation angle and temperature on the equilibrium morphology and growth kinetics of the grains were studied. The effects of the tri-crystal edges, grain orientation and temperature on the grain boundary migration were discussed. It is of great significance.