Berlin 2012 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 58: Poster Session III (Solid/liquid interfaces; Metals; Semiconductors; Oxides and insulators)
O 58.8: Poster
Mittwoch, 28. März 2012, 18:15–21:45, Poster B
The crystal-fluid interface in a hard sphere system — •Andreas Härtel1, Mohammad Hossein Yamanai2, Martin Oettel2, Roberto E. Rozas1, Jürgen Horbach1, Kirill Sandomirski3, Stefan U. Egelhaaf3, and Hartmut Löwen1 — 1Theoretische Physik II: Weiche Materie, Heinrich-Heine-Universität Düsseldorf, Germany — 2Institut für Physik, WA 331, Johannes-Gutenberg-Universität Mainz, Germany — 3Condensed Matter Physics Laboratory, Heinrich-Heine-Universität Düsseldorf, Germany
Properties of bulk crystals and the crystal-fluid interface in a system of hard spheres are studied by density functional theory using unconstrained minimization [1] of accurate fundamental measure functionals [2]. Results for free energies, density distributions and vacancy concentrations of bulk crystals compare very well to data from Monte Carlo simulations [3]. For the equilibrium hard-sphere crystal-fluid interface we combine fundamental measure density functional theory, Monte-Carlo computer simulation [4] and confocal microscopy experiments [5] on sterically-stabilized colloids to determine the orientation-resolved interfacial tension and stiffness.
[1] R. Ohnesorge et al, Phys. Rev. E 50, 4801 (1994)
[2] H. Hansen-Goos and R. Roth, JPCM 18, 8413 (2006)
[3] M. Oettel et al, Phys. Rev. E 82, 051404 (2010)
[4] R. E. Rozas and J. Horbach, Europhys. Lett. 93, 26006 (2011)
[5] K. Sandomirski et al, Soft Matter 7, 8050 (2011)