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One‐dimensional ledges and migration mechanism of incoherent interphase boundaries
Journal of Applied Crystallography ( IF 6.1 ) Pub Date : 2021-01-22 , DOI: 10.1107/s1600576720015587
Yunhao Huang , Jincheng Wang , Zhijun Wang , Junjie Li

Since the edge‐to‐edge matching relationship of close‐packed planes on an incoherent interphase boundary was found, the one‐dimensional ledge migration mechanism has been put forward. However, owing to the lack of direct experimental evidence, the existence of the one‐dimensional ledge is still questioned and it is thus usually treated as just an assumption. In this study, focusing on the existence of one‐dimensional ledges and the migration mechanism of incoherent interphase boundaries, an atomic scale investigation on the migration of incoherent interphase boundaries in a body‐ to face‐centered cubic transformation has been carried out using the phase‐field crystal model. Simulation results demonstrated the presence of one‐dimensional ledges on incoherent interphase boundaries, but only on those boundaries with high atomic densities. The simulation results further showed that the interphase boundaries with one‐dimensional ledges migrate as a result of the nucleation and extension of the one‐dimensional ledge, similar to the mechanism for two‐dimensional ledges; meanwhile the interphase boundaries without one‐dimensional ledges migrate according to a continuous mechanism by random atomic jumping. Because it is difficult for one‐dimensional ledges to nucleate under low driving forces, interphase boundary migration based on the one‐dimensional ledge mechanism is slower than that based on the continuous mechanism. This study reveals the structures and mechanisms of complex transitions of incoherent interphase boundaries and can aid a deeper understanding of solid phase transformations.

中文翻译:

非相干相间边界的一维壁架和迁移机制

由于在不相干的相间边界上发现了密堆积平面的边到边匹配关系,提出了一维壁架迁移机制。但是,由于缺乏直接的实验证据,一维壁架的存在仍然受到质疑,因此通常将其视为一个假设。在这项研究中,着眼于一维壁架的存在和不相干相间边界的迁移机制,利用相对原子相尺度相变边界进行了从体到面中心立方转换的迁移场晶体模型。仿真结果表明,在相干相干边界上存在一维壁架,但仅在具有高原子密度的边界上存在。仿真结果进一步表明,一维壁架的相间边界由于一维壁架的成核和扩展而迁移,类似于二维壁架的机制。同时,没有一维壁架的相间边界根据连续机制通过随机原子跳跃而迁移。由于一维壁架在低驱动力下难以成核,因此基于一维壁架机制的相间边界迁移要比基于连续机制的相间边界迁移慢。这项研究揭示了非相干相间边界的复杂转变的结构和机理,可以帮助人们更深入地了解固相转变。
更新日期:2021-02-02
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