Regensburg 2010 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 9: Crystallization and Self Assembly II

CPP 9.3: Vortrag

Montag, 22. März 2010, 14:30–14:45, H48

3d versus 2d Freezing of Lennard-Jones Fluid in a Slit Pore — •Nadezhda Gribova, Axel Arnold, and Christian Holm — ICP, Universität Stuttgart

We present a computer simulation study of a (6,12)-Lennard-Jones fluid confined to a slit pore, formed by two structureless planes. These interact via a (3,9)-Lennard-Jones potential with the fluid particles. Walls in the system induce layering. In order to investigate the nature of the freezing transition, we perform a detailed analysis of the bond-orientational order parameter and diffusion in the layers. Varying the distance between the slit walls, we study the system accommodating from 1 to 7 layers. With increasing number of layers the behaviour changes from a quasi-2d crystallization without hysteresis and an intermediate hexatic phase to a standard 3d.