title: Tension and stiffness of the hard sphere crystal-fluid interface.
abstract: A combination of fundamental measure density functional theory and Monte Carlo computer simulation is used to determine the orientation-resolved interfacial tension and stiffness for the equilibrium hard-sphere crystal-fluid interface. Microscopic density functional theory is in quantitative agreement with simulations and predicts a tension of 0.66k(B)T/σ(2) with a small anisotropy of about 0.025k(B)T and stiffnesses with, e.g., 0.53k(B)T/σ(2) for the (001) orientation and 1.03k(B)T/σ(2) for the (111) orientation. Here k(B)T is denoting the thermal energy and σ the hard-sphere diameter. We compare our results with existing experimental findings.
authors.affiliation: Institut für Theoretische Physik II: Weiche Materie, Heinrich-Heine-Universität Düsseldorf, Universitätsstraße 1, D-40225 Düsseldorf, Germany.
authors.forename: A
authors.initials: A
authors.lastname: Härtel
authors.forename: M
authors.initials: M
authors.lastname: Oettel
authors.forename: R E
authors.initials: RE
authors.lastname: Rozas
authors.forename: S U
authors.initials: SU
authors.lastname: Egelhaaf
authors.forename: J
authors.initials: J
authors.lastname: Horbach
authors.forename: H
authors.initials: H
authors.lastname: Löwen