Methodology of the determination of phase diagrams via computer simulations

Statistical Physics and Complexity Group meeting

Methodology of the determination of phase diagrams via computer simulations

  • Event time: 10:15am
  • Event date: 17th September 2009
  • Speaker: Eduardo Sanz (Formerly School of Physics & Astronomy, University of Edinburgh)
  • Location: Room 2511,

Event details

The equilibrium phase diagram of a given substance (characterized by an interaction potential between its constituents) provides essential information. Not only does it tell us where a specific phase can be found but it also helps us to understand and rationalize out-of-equilibrium behavior. On Thursday morning I will give an overview of the theoretical basis behind the determination of phase diagrams by computer simulation, with particular attention to the fluid?solid and solid?solid equilibria.