Microstructure, mechanical properties and first-principles calculations of Mo₂FeB₂-based cermets with Mn addition

Abstract

Mo₂FeB₂-based cermets with Mn addition of 10 wt % were prepared by reaction sintering process. The effect of Mn addition on the microstructure and mechanical properties was investigated. It was found that the cermets with Mn addition exhibited relatively fine grain size and the transverse rupture strength obviously increased from 1750 to 2300 MPa, while the value for hardness decreased. Based on density functional theory and ultrasoft pseudopotentials, the first-principle calculations were carried out to investigate the bulk modulus B, Young’s modulus E, Poisson’s ratio υ and B/G of Mo₂FeB₂ and Mo₂(Fe,Mn)B₂ phase, and attempts were made to relate them to the mechanical properties.