Fe含量对Fe_(x)AlNiCrMn高熵合金力学性能的影响

Effect of Fe Content on Mechanical Properties of Fe_(x)AlNiCrMn High Entropy Alloy

利用第一性原理的方法研究了Fe元素摩尔含量对Fe_(x)AlNiCrMn(x=0,0.25,0.5,0.75,1)高熵合金结构、弹性常数和弹性模量的影响。结果表明:随着Fe含量的增加,Fe_(x)AlNiCrMn的晶格常数呈先减小后增大的趋势,同时Fe_(x)AlNiCrMn将发生BCC结构向FCC结构的相变,Fe含量增强了FCC结构的结构稳定性。此外,Fe_(x)AlNiCrMn的剪切模量和杨氏模量变化趋势相似,随着Fe含量的增加均呈现出上下起伏的变化趋势,体模量则呈现出先增大后减小的趋势。

In this paper,the effects of molar content of Fe on the structure,elastic constants and elastic moduli of Fe_(x)AlNiCrMn(x=0,0.25,0.5,0.75,1)high-entropy alloys were investigated by first-principles method.The results show that with the increase of Fe content,the lattice constant of Fe_(x)AlNiCrMn decreases first and then increases.Meanwhile,the transformation of Fe_(x)AlNiCrMn from BCC structure to FCC structure occurs.The structural stability of FCC structure is enhanced by Fe content.In addition,the shear modulus and Young’s modulus of Fe_(x)AlNiCrMn show a similar trend,both of which show a fluctuation trend with the increase of Fe content,while the bulk modulus shows a trend of first increasing and then decreasing.