Our research interests: Multiscale and Multistage Computational Materials Science; Thermal Stability and Phase Stability of Nanomaterials; Powder Metallurgy; Nano Rare-earth Alloys; Cemented Carbides.

1. Multiscale and Multistage Computational Materials Science

Develop models of First principles, Monte Carlo, Molecular dynamics, CALPHAD, Finite element analysis, … and coupling of these calculation methods;

Perform multiscale and multistage simulations of materials and processing for the purpose of design of materials with advanced properties;

Apply CALPHAD techniques to calculate phase diagrams and phase equilibrium for multicomponent alloy systems.

2. Thermal Stability and Phase Stability of Nanomaterials

Develop models to describe thermodynamic properties of nanomaterials and quantify their stability;

Study phase transformation behavior and nanoscale effects on characteristics of phase stability;

Analyze influences of energy and structure states of interfaces on the stability of nanostructures.

3. Rare-earths Database and Related Functional Alloys

Develop materials genome initiative (MGI) oriented database for rare-earth materials including microstructure scale effects;

Investigate thermodynamics and kinetics of the interactions between rare-earths and transition metals on the nanoscale;

Design new type rare-earth materials based on MGI rare-earths database and integrated computational materials science.

4. Ultrafine, Nanocrystalline and Extracoarse Cemented Carbides and Applications

Synthesize nanoscale WC-based composite powders with low-cost & short-term technique of in-situ reactions;

Develop ultrafine- and nano-structured cermet coatings with high wear and corrosion resistance and apply in industry engineering;

Prepare ultrafine, nanocrystalline and extracoarse grained cermet bulk materials and apply in industries demanding for high hardness, toughness and fracture strength.

Some of our work: