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首页> 外文期刊>Journal of Experimental and Theoretical Physics >Statistical theory of diffusion in concentrated bcc and fcc alloys and concentration dependencies of diffusion coefficients in bcc alloys FeCu, FeMn, FeNi, and FeCr
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Statistical theory of diffusion in concentrated bcc and fcc alloys and concentration dependencies of diffusion coefficients in bcc alloys FeCu, FeMn, FeNi, and FeCr

机译：浓密bcc和fcc合金中扩散的统计理论以及bcc合金FeCu，FeMn，FeNi和FeCr中扩散系数的浓度依赖性

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摘要

The statistical theory of diffusion in concentrated bcc and fcc alloys with arbitrary pairwise interatomic interactions based on the master equation approach is developed. Vacancy-atom correlations are described using both the second-shell-jump and the nearest-neighbor-jump approximations which are shown to be usually sufficiently accurate. General expressions for Onsager coefficients in terms of microscopic interatomic interactions and some statistical averages are given. Both the analytical kinetic mean-field and the Monte Carlo methods for finding these averages are described. The theory developed is used to describe sharp concentration dependencies of diffusion coefficients in several iron-based alloy systems. For the bcc alloys FeCu, FeMn, and FeNi, we predict the notable increase of the iron self-diffusion coefficient with solute concentration c, up to several times, even though values of c possible for these alloys do not exceed some percent. For the bcc alloys FeCr at high temperatures T ae(3) 1400 K, we show that the very strong and peculiar concentration dependencies of both tracer and chemical diffusion coefficients observed in these alloys can be naturally explained by the theory, without invoking exotic models discussed earlier.
机译：建立了基于主方程法的任意成对原子间相互作用的浓密bcc和fcc合金扩散的统计理论。使用第二壳跳跃近似值和最近邻居跳跃近似值来描述空位原子相关性，这通常被证明是足够准确的。给出了基于微观原子间相互作用的Onsager系数的一般表达式以及一些统计平均值。描述了寻找这些平均值的分析动力学平均场和蒙特卡洛方法。所开发的理论用于描述几种铁基合金系统中扩散系数的浓度依赖性。对于bcc合金FeCu，FeMn和FeNi，我们预测铁的自扩散系数会随溶质浓度c显着增加，直至几倍，即使这些合金可能的c值不超过某个百分比。对于在高温T ae（3）1400 K下的bcc合金FeCr，我们表明，在理论上可以自然地解释在这些合金中观察到的示踪剂和化学扩散系数的非常强的和特殊的浓度依赖性，而无需调用讨论的奇异模型较早。

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