Research Interests
Predicting the crystal
structure and properties of layered ternary carbides and nitrides
(MAX phase) by using First-Principles method:
Electronic band structure and atomic bonding properties
Mechanical
properties, including elastic constants, bulk modulus and shear
modulus
Lattice dynamics and thermodynamics
Structural
stability, including under perturbations of high pressure, shear
deformation, high temperature etc
Effect
of solid solution treatment, including mechanical strengthening and
oxidation resistance optimizing
Structural
defects in MAX phase, including vacancies, interstitials, surface
and interfaces etc |