通过多尺度表征和DFT计算了解氧掺杂耐火高熵合金的强度-延性增强

IF 5.3 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Scripta Materialia Pub Date : 2025-06-18 DOI:10.1016/j.scriptamat.2025.116825

Yang Su , Yiwen Chen , Ziliang Lu , Sisheng Wang , Zhijun Wang , Xingyu Gao , Leyun Wang , Xiaoqin Zeng

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引用次数: 0

摘要

耐火高熵合金（RHEAs）的强度-延性权衡对其在苛刻环境中的应用提出了重大挑战。研究了氧隙对新型TiZrV0.5Nb0.5合金拉伸性能的影响。2 at的加法。由于间隙强化，%氧显著提高了屈服强度164mpa。先进的表征技术，包括透射电子显微镜和劳厄微束衍射，揭示了氧掺杂促进了不同滑移面的位错交叉滑移。第一性原理计算进一步表明，氧增加了基体合金的层错能（SFE），促进了位错交叉滑移，从而提高了拉伸延展性。这项工作强调了氧掺杂作为一种有前途的策略，可以同时提高难熔高熵合金的强度和延展性。

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Understanding strength-ductility enhancement in an oxygen-doped refractory high-entropy alloy by multi-scale characterization and DFT calculations

The strength-ductility tradeoff in refractory high-entropy alloys (RHEAs) poses a significant challenge for their application in demanding environments. This study investigates the influence of oxygen interstitials on the tensile properties of a novel TiZrV_0.5Nb_0.5 alloy. The addition of 2 at. % oxygen significantly enhances the yield strength by 164 MPa, attributed to interstitial strengthening. Advanced characterization techniques, including transmission electron microscopy and Laue micro-beam diffraction, reveal that oxygen doping promotes dislocation cross-slip across different slip planes. First-principles calculations further demonstrate that oxygen increases the stacking fault energy (SFE) of the base alloy, facilitating dislocation cross-slip and thereby improving tensile ductility. This work highlights oxygen doping as a promising strategy to simultaneously enhance both strength and ductility in refractory high-entropy alloys.

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来源期刊

Scripta Materialia 工程技术-材料科学：综合

CiteScore

11.40

自引率

5.00%

发文量

581

审稿时长

34 days

期刊介绍： Scripta Materialia is a LETTERS journal of Acta Materialia, providing a forum for the rapid publication of short communications on the relationship between the structure and the properties of inorganic materials. The emphasis is on originality rather than incremental research. Short reports on the development of materials with novel or substantially improved properties are also welcomed. Emphasis is on either the functional or mechanical behavior of metals, ceramics and semiconductors at all length scales.