合金
氧化物
腐蚀
材料科学
热力学
渗透(战争)
密度泛函理论
扩散
化学物理
熵(时间箭头)
化学工程
冶金
化学
计算化学
物理
运筹学
工程类
作者
Hongfu Sun,Meifeng Li,Hao Zhang,Jing Liu
标识
DOI:10.1016/j.corsci.2023.111685
摘要
The oxidation of FeCrNi medium entropy alloy is investigated from 700 to 1000°C by combining experimental observations with density functional theory (DFT) calculations. The sole oxidation product formed is Cr2O3. At 900°C, the layer exhibits a desirable density and continuity, attributed to the rapid diffusion of Cr facilitated by the body-centered cubic phase transformation. There is a significant increase in mass gain rates at 1000°C, accompanied by formation of a discontinuous Cr2O3 layer and penetration of oxide. These observations emphasized the significant roles of phase structure in promoting formation of protective oxide scales and influencing oxidation resistance.
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