Elastic properties of disordered binary hcp-Fe alloys under high pressure:Effects of light elements

被引：0
|
作者：
Zhenwei Niu [1 ]
Shuqiong Zeng [1 ]
Mei Tang [2 ]
Zaixiu Yang [3 ]
机构：
[1] Laboratory for Extreme Conditions Matter Properties, Southwest University of Science and Technology
[2] Fundamental Science on Nuclear Wastes and Environmental Safety Laboratory, Southwest University of Science and Technology
[3] Key Laboratory of Science and Technology on Wear and Protection of Materials, Lanzhou Institute of Chemical Physics, Chinese Academy of
来源：
ChemPhysMater | 2023年 / 02期
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中图分类号：
TG132 [特种物理性质合金];
学科分类号：
摘要：
The effects of light elements on the elastic properties of disordered binary hcp-Fe alloys were investigated at high pressures using plane-wave density functional theory combined with the Monte Carlo special quasi-random structure method. We found that the increase in the O content in hcp-Fe had a more pronounced effect on the sound velocity than Si, S, and C. The longitudinal wave velocity was decreased by ~ 6% with 2% O content, which was a much greater decrease than the values of 0.6% and 2% induced by the same content of Si and S, respectively, under high pressures. Compared with the other three light elements, the longitudinal wave velocity of the Fe-C alloy exhibited the most gradual decreasing with increasing C content. In addition, the effects of different O and S contents on the anisotropy of hcp-Fe alloys strongly depended on the variation in pressure, whereas the pressure only slightly affected the anisotropy of Fe-Si alloy systems.
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页码：155 / 163
页数：9
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