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arXiv 2108.01636cond-mat.mtrl-sci
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Fe $_{x}$ Mn $_{80-x}$ Co $_{10}$ Cr $_{10}$高熵合金中马氏体相变的研究

On the martensitic transformation in Fe$_{x}$Mn$_{80-x}$Co$_{10}$Cr$_{10}$ high-entropy alloy

Prashant Singh, Sezer Picak, Aayush Sharma, Y. I. Chumlyakov, Raymundo Arroyave, Ibrahim Karaman, Duane D. Johnson

摘要:

高熵合金(HEAs),甚至中熵合金(MEA),是一类有趣的材料,其结构和性能关系可以通过在组成空间中的宽范围内的合金化和化学无序来控制。采用密度泛函理论结合相干势近似对所有化学构型进行平均,对Fe、$_{x}$、Mn、$_{80-x}$、Co、$_{10}$、Cr、$_{10}$体系的面心立方(fcc)和六方密排(hcp)相之间的自由能进行了调谐。在Fe-Mn基合金中,我们发现马氏体相变和化学短程有序与fcc-hcp能差和层错能直接相关,这与最近在$x$ =40~at.多晶HEA/MEA。我们的预言得到了$x$ = 40原子的单晶测量的进一步证实。使用透射电子显微镜、选择性区域衍射和电子背散射衍射绘图。本文的结果提供了一个理解的相变诱导/孪生诱导的可塑性(TRIP/THEAS)在这一类的HEAs和设计指导控制TRIP效应背后的物理在电子水平。

英文摘要:

High-entropy alloys (HEAs), and even medium-entropy alloys (MEAs), are an intriguing class of materials in that structure and property relations can be controlled via alloying and chemical disorder over wide ranges in the composition space. Employing density-functional theory combined with the coherent-potential approximation to average over all chemical configurations, we tune free energies between face-centered-cubic (fcc) and hexagonal-close-packed (hcp) phases in Fe$_{x}$Mn$_{80-x}$Co$_{10}$Cr$_{10}$ systems.~Within Fe-Mn-based alloys, we show that the martensitic transformation and chemical short-range order directly correlate with the fcc-hcp energy difference and stacking-fault energies, which are in quantitative agreement with recent experiments on a $x$=40~at.\% polycrystalline HEA/MEA. Our predictions are further confirmed by single-crystal measurements on a$x$=40at.\% using transmission-electron microscopy, selective-area diffraction, and electron-backscattered-diffraction mapping. The results herein offer an understanding of transformation-induced/twinning-induced plasticity (TRIP/TWIP) in this class of HEAs and a design guide for controlling the physics behind the TRIP effect at the electronic level.

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