Stability of solid phases in the dipolar hard sphere system

Abstract

Free energy differences between solid phases of dipolar hard spheres are estimated by Monte Carlo simulation using a nonequilibrium work method. These calculations allow one to determine which of the considered phases has the minimum free energy. The phase diagram which we obtain is confirmed by simulations in the isothermal–isobaric ensemble over a wide region of the density and temperature domain.

Keywords:

• solid phases
• dipolar hard spheres
• Monte Carlo simulations
• nonequilibrium work method