高熵合金中相互扩散的研究:随机合金模型的应用

M. Afikuzzaman, I. Belova, G. Murch
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引用次数: 5

摘要

高熵合金(HEAs)是由五种或多种成分相等(或几乎相等)的主元素组成的。本文研究了HEAs内的互扩散现象。两种组分依赖(以及不依赖)的互扩散矩阵被用于CoCrFeMnNi HEAs中的扩散行为的详细研究。这些矩阵根据Darken和Manning形式计算,并与显式有限差分法(EFDM)结合使用,以获得相互扩散曲线。首先,计算了末端二元扩散偶的扩散曲线。在根据Darken和Manning形式主义所作的预测中,发现了成分分布的显著差异。接下来,通过考虑CoCrFeMnNi合金中几种扩散对(主要是准二元和准三元)的相互扩散系数为常数,与成分无关,对五组分合金中的相互扩散问题进行了数值求解。模拟的组分分布与现有的实验结果非常吻合[1,2]。应该指出的是,在两种情况下,扩散偶应使用与组成无关的扩散矩阵:组成变化相对较小,以及非零/非稀端组成。如果组分差异较大,且/或末端组分为零/稀,则应在扩散偶中使用组分依赖的互扩散矩阵。在本文中,使用了Darken和Manning形式来模拟成分相关的互扩散矩阵。该模型的目的是系统地研究CoCrFeMnNi合金在成分发生实质性变化的扩散偶中的相互扩散。本研究的主要应用是在随机合金模型框架下预测可能的相互扩散分布。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Investigation of Interdiffusion in High Entropy Alloys: Application of the Random Alloy Model
High entropy alloys (HEAs) are composed of five or more principal elements with equal (or nearly equal) compositions. In this paper, interdiffusion phenomenon in the HEAs is investigated. Two composition dependent (as well as composition independent) interdiffusion matrices have been used for detailed studying of the diffusion behaviour in CoCrFeMnNi HEAs. These matrices are calculated according to the Darken and Manning formalisms and are used in combination with the explicit finite difference method (EFDM) to obtain interdiffusion profiles. First, the interdiffusion profiles are calculated for the case of the terminal binary diffusion couple. A significant difference in the composition profiles is found between predictions according to the Darken and Manning formalisms. Next, the interdiffusion problem in the 5-component alloy is addressed numerically by considering the interdiffusion coefficients as constant, independent of composition, in CoCrFeMnNi alloys for several diffusion couples (mainly quasi-binary and quasi-ternary). The simulated composition profiles are found to be in a very good agreement with the available experimental results [1, 2]. It should be pointed out that the independence on composition of the interdiffusion matrix should be used for diffusion couples under two conditions: relatively small changes in composition, and the non-zero/non-dilute terminal compositions. The composition dependent interdiffusion matrix should be used in the diffusion couple if the composition differences are large and/or zero/dilute terminal compositions. In this paper, the Darken and Manning formalisms are used for modelling the composition dependent interdiffusion matrices. The purpose of this modelling is to systematically investigate interdiffusion in CoCrFeMnNi alloys in diffusion couples with substantial changes in composition. The main application of the present research is in the prediction of possible interdiffusion profiles in the framework of the random alloy model.
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