The discovery of high entropy alloys (HEAs) dramatically increased the number of new commercial materials. Today, multicomponent systems are some of the main objects of research in the field of materials science. However, their chemical complexity significantly complicated the materials modeling, so conventional simulations techniques are hardly applicable. In this paper, we propose a rapid high-throughput approach for an automatic detection for stable ordered structures in multicomponent alloys. High computational efficiency is achieved through the use of a novel low-rank interatomic potential. The approach was verified on several binary temperature-concentration phase diagrams. Then it was applied to search for secondary phases in CoFeNiCr, which is believed to be a single-phase high-entropy alloy. As a result, we detected the ordering of Ni and Cr in CoFeNiCr and similar alloys in a wide range of temperatures and compositions.

高熵合金 (HEAs) 的发现极大地增加了新商业材料的数量。今天，多组分系统是材料科学领域的一些主要研究对象。然而，它们的化学复杂性使材料建模显着复杂化，因此传统的模拟技术几乎不适用。在本文中，我们提出了一种快速高通量方法，用于自动检测多组分合金中稳定有序的结构。通过使用新的低阶原子间势能实现高计算效率。该方法在几个二元温度-浓度相图上得到了验证。然后将其应用于寻找 CoFeNiCr 中的二次相，据信这是一种单相高熵合金。其结果，