ABSTRACT
We present a direct calculation by molecular-dynamics computer simulation of the crystal/melt interfacial free energy gamma for a system of hard spheres of diameter sigma. The calculation is performed by thermodynamic integration along a reversible path defined by cleaving, using specially constructed movable hard-sphere walls, separate bulk crystal, and fluid systems, which are then merged to form an interface. We find the interfacial free energy to be slightly anisotropic with gamma = 0.62+/-0.01, 0.64+/-0.01, and 0. 58+/-0.01k(B)T/sigma(2) for the (100), (110), and (111) fcc crystal/fluid interfaces, respectively. These values are consistent with earlier density functional calculations and recent experiments.
ABSTRACT
An outstanding problem in chaotic dynamics is to specify generating partitions for symbolic dynamics in dimensions larger than 1. It has been known that the infinite number of unstable periodic orbits embedded in the chaotic invariant set provides sufficient information for estimating the generating partition. Here we present a general, dimension-independent, and efficient approach for this task based on optimizing a set of proximity functions defined with respect to periodic orbits. Our algorithm allows us to obtain the approximate location of the generating partition for the Ikeda-Hammel-Jones-Moloney map.
