Properties and structure of iron glass and liquids

On the fly machine learning molecular dynamics using VASP has been performed to simulate iron glasses. The glass is formed by flash quenching from high temperature melt, and then the glass is heated through the glass transition temperature. The properties and structure of the glass and liquid are monitored as functions of temperature, pressure, and heating rate. Liquid vsicosities are computed using Green-Kubo. Some simulations were also performed with C-doping. High pressure glasses up to 300 GPa were also generated by fast but finite cooling rates. The structure and properties of iron liquids versus pressure are also studied. Isothermal compression of iron glass will also be considered.