Effects of Mn Content on Mechanical Properties of FeCoCrNiMn_x （0≤x≤0.3） High-Entropy Alloys: A First-Principles Study

Hui Xiao^1,2,3，Yu Liu⁴，Kai Wang²，Zhipeng Wang^1,3，Te Hu¹，Touwen Fan¹，Li Ma⁵，Pingying Tang⁵

1. School of Materials Science and Hydrogen Energy,Foshan University2. School of Mechatronics Engineering,Foshan University3. State Key Laboratory of Advanced Design and Manufacturing for Vehicle Body,Hunan University4. College of Materials Science and Engineering,Hunan University5. Key Laboratory of New Electric Functional Materials of Guangxi Colleges and Universities,Nanning Normal University

摘 要：Effects of Mn content on mechanical properties of FeCoCrNiMn_x（0 ≤x≤0.3） high-entropy alloys（HEAs） are investigated via first-prmciples calculations combining EMTO-CPA method.Related physical parameters,including lattice constant.elastic constants,elastic modulus,Pugh’s ratio,anisotropy factors,Poisson’s ratio,Cauchy pressure,Vickers hardness,yield strength,and energy factor,are calculated as a function of Mn content.The results show that the resistances to bulk,elastic,and shear deformation decrease with increasing Mn content.Pugh’s ratio B/G indicates that the ductility of FeCoCrNiMn_x HEAs has a remarkable reduction between 22 and 24% of Mn content.Meanwhile,Cauchy pressure suggests that the atomic bonding transforms from metallic to directional characteristic from 22 to 24% of Mn content.Vickers hardness and yield strength of FeCoCrNiMn HEA are intrinsically larger than those of FeCoCrNi HEA.Dislocation nucleation easily occurs in FeCoCrNiMn HE A compared to FeCoCrNi HEA,and large dislocation width in FeCoCrNiMnO₂ HE A results in low stacking-fault energy,which easily induces twinning deformation.This work provides a valuable msieht for further theoretical and experimental study on the mechanical properties of FeCoCrNiMn_x（0≤x≤0.3） HEAs.

关键词：