考虑近程阶次影响的实合金点缺陷捕获

Ge Yu
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引用次数: 0

摘要

基于浓缩合金中点缺陷的随机游走,采用计算机模拟的方法研究了浓缩合金中点缺陷的湮灭动力学。通过使用对模型描述原子相互作用,特别考虑了有序度的影响。模拟几乎覆盖了存在短程有序或短程聚类的整个温度范围。由于特殊的处理,各种陷阱结构(0D或1D,不同的反应半径)的逃逸概率可以确定为退火时间的函数。进一步的评估得出了在合金成分和组分迁移率等相关参数广泛变化的情况下,点缺陷的捕获时间。经验函数是用来表示这些依赖关系的。与前一篇论文[1]报道的随机合金简化相比,捕获动力学的基本形式没有变化。揭示了实际合金中点缺陷湮灭活化能与原子自扩散活化能之间的关系,为研究点缺陷湮灭的扩散特性提供了背景。
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Trapping of point defects in real alloys by considering the effect of short range order

Based on the random walk of point defect in concentrated alloys, the kinetics of the annihilation of point defects in a f.c.c. alloy is studied by computer simulation. The effect of the degree of order is especially considered by using the pair model for describing the atomistic interaction. The simulations cover nearly the whole temperature range in which short range order or short range clustering exists. Due to the special treatments, the escape probability for various trap structures (0D or 1D and with different reaction radius) can be determined as a function of the annealing time. Further evaluation yields the trapping time of point defects for broad variation of relevant parameters including the composition of alloy and the mobility ratio of the components. Empirical functions are developed for expressing these dependences.

Compared to the random alloy simplification reported in the preceding paper [1], there is no change in the essential form of the trapping kinetics. The relation between the activation energy for the annihilation of point defects and that for the self-diffusion of atoms in real alloys is revealed, which yields the background for studying the diffusion properties through the investigation of point defect annihilation.

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