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.