Abstract Scope |
In conventional alloys, mechanical properties are significantly affected by chemical ordering and segregation of alloying elements. Also in multi-principal element alloys such as high entropy alloys, the existence of chemical short-range ordering has been shown in experiments, and it should change the mechanical properties. In order to design and develop new high entropy alloys having excellent mechanical properties, understanding of atomic arrangement in high entropy alloys and these effects on mechanical properties are important. However, the effect of crystal defects on the formation of short-range order is still unclear. In this study, we performed grand canonical Monte Carlo and molecular dynamics hybrid simulation, and investigate the chemical short-range ordering nearby several kinds of crystal defects, such as vacancy, dislocation, twin boundary, and grain boundary. Moreover, the relation between chemical short-range ordering, magnitude of lattice distortion/strain, defect properties, and critical stress of deformation are discussed based on free energy analysis. |