Influence of Local Lattice Distortion on Elastic Properties of Hexagonal Close‐Packed TiZrHf and TiZrHfSc Refractory Alloys

The unique mechanical properties and local lattice distortion (LLD) for hexagonal close‐packed (HCP) multiple principal element alloys (MPEAs) are very rarely studied so far. Employing density functional theory calculation based on special quasirandom structure, this work studies the influences of LLD on elastic properties for both novel hexagonal TiZrHf(Sc) MPEAs. Compared to the pristine structures, the lattice stability of distorted random...