Regensburg 2010 – wissenschaftliches Programm

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DY: Fachverband Dynamik und Statistische Physik

DY 4: Statistical Physics (general) II

DY 4.4: Vortrag

Montag, 22. März 2010, 14:45–15:00, H47

Particle density distributions in hard sphere crystals — •Stefan Görig and Martin Oettel — Jo-Gu Uni Mainz, Deutschland

We discuss the shape of the density profiles around the fcc lattice sites in hard sphere crystals with bulk packing fractions near coexistence. Monte Carlo results for the peak width and the anisotropy are compared with results from density functional theory (DFT) using fundamental measure functionals. Crystal free energies computed with a novel simulation method agree well with the corresponding DFT results. Furthermore we discuss the applicability of the phase field crystal ansatz (using a local free energy density) to the hard sphere system in view of further applications for nucleation and growth processes.