The goal of this project is to predict properties of fluids in the Earth and other planets. Many properties of solids can be determined experimentally at high pressures and temperatures, but many of the same measurements are not feasible for fluids.
The fundamental equation of state, that is the energy (E), pressure (P), volume (V), temperature (T) relations, for fluids are not accessible experimentally at high pressures, yet are crucial for any models of fluid behaviour in the Earth and other planets.
Of particular interest are (1) the behaviour of carbonated aqueous fluids, important in the transition zone and upper mantle, (2) liquid iron alloys, important in Earth’s core, and (3) liquid hydrogen alloys, important in giant planets.
The student will formulate a research project in one of these three areas using first principles molecular dynamics. In addition to the equations of state, we will study transport and other properties.