Thermodynamic approach to the stability of multi-phase systems: application to the Y2O3-Fe system.

@article{Samolyuk2015ThermodynamicAT,
  title={Thermodynamic approach to the stability of multi-phase systems: application to the Y2O3-Fe system.},
  author={German D. Samolyuk and Yuri N. Osetsky},
  journal={Journal of physics. Condensed matter : an Institute of Physics journal},
  year={2015},
  volume={27 30},
  pages={305001}
}
Oxide-metal systems are important in many practical applications, and they are undergoing extensive study using a wide range of techniques. The most accurate theoretical approaches are based on density functional theory (DFT), which is limited to ~10(2) atoms. Multi-scale approaches, e.g. DFT + Monte Carlo, are often used to model oxide metal systems at the… CONTINUE READING