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Theoretical study of the mechanical properties of CrFeCoNiMox (0.1 ≤ x ≤ 0.3) alloys

机译：CRFeconimox的机械性能（0.1≤x≤0.3）合金的理论研究

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摘要

Based on exact muffin-tin orbitals (EMTO) and coherent potential approximation (CPA), we investigate the effects of Mo content on the mechanical properties of CrFeCoNiMo _( x ) (0.1 ≤ x ≤ 0.3) high-entropy alloys (HEAs) with a face-centered-cubic (fcc) crystal structure; relevant physical parameters are calculated as a function of Mo content. The results indicate that the theoretical predictions of lattice constant, elastic constants, shear modulus, and Young's modulus are in good agreement with the available experimental data, which proves the validity of the applied approach. CrFeCoNiMo _(0.26) HEA has better ductility and plasticity with respect to other HEAs with different Mo contents because it has the minimum elastic moduli and Vickers hardness, and has the maximum Pugh's ratio and anisotropy factors, etc. CrFeCoNiMo _(0.2) HEA has better plasticity compared with CrFeCoNiMo _(0.1) and CrFeCoNiMo _(0.3) HEAs due to its minimum energy factor and maximum dislocation width. Screw dislocation is more likely to nucleate in CrFeCoNiMo _( x ) (0.1 ≤ x ≤ 0.3) HEAs than edge dislocation. The present studies are helpful to explore the excellent mechanical properties of CrFeCoNiMo _( x ) (0.1 ≤ x ≤ 0.3) HEAs during experiments.
机译：基于精确的松饼 - 锡轨道（EMTO）和相干电位近似（CPA），研究了MO含量对CRFeconimo _（x）（0.1≤x≤0.3）高熵合金（HEAS）的机械性能的影响朝向立方（FCC）晶体结构;相关物理参数作为Mo内容的函数计算。结果表明，晶格常数，弹性常数，剪切模量和杨氏模量的理论预测与可用的实验数据吻合良好，这证明了应用方法的有效性。 CRFeconimo _（0.26）HEA具有与不同MO内容的其他杰斯的延展性和可塑性，因为它具有最小的弹性模数和维氏硬度，并且具有最大的PUGH的比率和各向异性因子等.CRFECONIMO _（0.2）HEA有由于其最小能量因子和最大位错宽，与CRFeconimo _（0.1）和CRFeconimo _（0.3）相比更好的可塑性。螺旋位错在CRFeconimo _（x）中更容易成核（0.1≤x≤0.3），而不是边缘位错。本研究有助于在实验期间探讨CrFeconimo _（X）（0.1≤x≤0.3）批次的优异机械性能。

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