Diffusion triple technique (stand-alone or composed diffusion multiples) is crucial for high-throughput construction of phase diagrams or extracting diffusion coefficients, taking advantage of the broad two-dimensional (2D) composition variations. However, currently there is a lack of methods available for simulating 2D diffusion accompanied by phase transformations inside diffusion triples. In the present work, we take a noticeable step forward by simulating diffusional phase transformation between the contacting interfaces, especially in the tri-junction of diffusion triple. The present method is an extension of the homogenization model (H. Larsson and L. Höglund, Calphad, 33 (2009) 495–501) to 2D simulations, allowing for disclosure of microstructure evolutions in diffusion triples. The practicability of the present method is demonstrated by comparing the simulation results with the experiment of a Fe-Cr-Ni diffusion triple (as a part of a multiple) from the literature.

中文翻译：

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扩散三元组中扩散相变的模拟

扩散三重技术（独立或组合扩散多次）对于利用广泛的二维 (2D) 成分变化高通量构建相图或提取扩散系数至关重要。然而，目前缺乏可用于模拟二维扩散以及扩散三元组内部相变的方法。在目前的工作中，我们通过模拟接触界面之间的扩散相变，特别是在扩散三元组的三联结中，向前迈出了显着的一步。本方法是均质化模型（H. Larsson 和 L. Höglund, Calphad, 33 (2009) 495–501）到二维模拟的扩展，允许揭示扩散三元组中的微观结构演化。通过将模拟结果与文献中的 Fe-Cr-Ni 扩散三元组（作为倍数的一部分）的实验进行比较，证明了该方法的实用性。