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Research

Group's research includes the following areas:

  • Phase-field method and software development
  • Multiscale modeling integrating density functional theory (DFT) calculations, thermodynamic analysis, and phase-field simulations
  • Domain structures and switching in ferroelectric, ferromagnetic, ferroelastic and multiferroic thin films and devices
  • Interactions between electronic/ionic defects and ferroelectric domains, dielectric degradation and breakdown
  • Ion transport and microstructure evolution in solid electrodes and electrolytes in Li-ion batteries and solid oxide fuel cells (SOFC)
  • Phase-field simulations of structural and diffusional phase transformations, grain growth, and Ostwald ripening in alloys
  • Interactions between dislocations, plasticity, and phase microstructures
  • Co-evolution of microstructure and properties
  • Application of information technology to materials simulation and modeling
  • Integrated computational materials science and engineering

Research projects:

  • Phase-field modeling of dielectric degradation and breakdown
  • Computational thermodynamic modeling and phase field simulations for property prediction in advanced material systems
  • Materials World Network: new insights into ferroelectric domain walls: extended nanoscale structure, Bloch-Like and Neel-Like
  • Phase-field Models of piezoelectric and multiferroic responses of ferroelectric and multiferroic nanostructures
  • Structure and dynamics of domains in ferroelectric nanostructures: phase-field modeling
  • Phase-field Model of Microstructure Evolution in Ti-Alloys
  • Investigating the impact of additive manufacturing process parameters on material properties
  • Simulations of microstructure and stress evolution during solidification and solution treatment of Ni-base superalloys
  • Computational Materials and Chemical Sciences Network: Computational Microstructural Science”, DOE Basic Sciences
  • Cathode evolution by coarsening
  • GOALI: Understanding and predicting Li dendrite formation in Li-ion batteries
  • Multifunctional interfacial materials by design
  • Modeling effect of second-phase particles on grain growth kinetics