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Equilibrium segregation at coherent (100) interfaces in ternary fcc systems analyzed using the cluster variation method

机译:使用簇变异法分析三元fcc系统中相干(100)接口处的平衡偏析

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摘要

In order to study equilibrium segregation, composition profiles around coherent (1 0 0) interfaces in ternary fee systems were calculated using the cluster variation method within the tetrahedron approximation. A comparison with a previous regular-solution (RS) based model was made for interfaces between two disordered phases. This RS model overestimates the maximum atomic fraction of the segregant at the interface when its bulk value is >0.1. The oscillatory decay in segregant concentration from its maximum at the interface to its bulk value is much less damped in the case of the RS model. Analysis of the damping behavior leads to a very good agreement with results from free energy expansion approximations. Finally, the CVNI calculations were extended to interfaces between ordered ternary fee phases or anti-phase boundaries. Results for the interface between the L1(2)-Cu3Au(Ag) phase and a disordered Ag-rich phase in equilibrium at 583 K, and for a non-conservative APB in the same alloy, point to a strong suppression of order near the interfaces. (C) 2003 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
机译:为了研究平衡偏析,使用四面体近似内的聚类变化方法计算了三元费用系统中相干(1 0 0)界面周围的成分分布。对于两个无序阶段之间的接口,与以前的基于常规解决方案(RS)的模型进行了比较。当其松散值> 0.1时,此RS模型会高估界面上隔离剂的最大原子分数。在RS模型的情况下,隔离物浓度从界面处的最大值到其体积值的振荡衰减要小得多。阻尼行为的分析与自由能膨胀近似的结果非常吻合。最后,CVNI计算扩展到有序三元费用阶段或反相边界之间的接口。 L1(2)-Cu3Au(Ag)相和无序的富Ag相在583 K时处于平衡状态的界面结果以及同一合金中非保守的APB的结果表明,强烈抑制了C1附近的有序化。接口。 (C)2003 Acta Materialia Inc.,由Elsevier Ltd.发行。保留所有权利。

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    Kooi, Bart J.;

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  • 年度 2003
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  • 正文语种 en
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