Point Defects in Hard Sphere Crystals
Soft Condensed Matter
2007-05-23 v1
Abstract
We report numerical calculations of the concentration of interstitials in hard-sphere crystals. We find that, in a three-dimensional fcc hard-sphere crystal at the melting point, the concentration of interstitials is 2 * 10^-8. This is some three orders of magnitude lower than the concentration of vacancies. A simple, analytical estimate yields a value that is in fair agreement with the numerical results.
Keywords
Cite
@article{arxiv.cond-mat/0105060,
title = {Point Defects in Hard Sphere Crystals},
author = {Sander Pronk and Daan Frenkel},
journal= {arXiv preprint arXiv:cond-mat/0105060},
year = {2007}
}
Comments
12 pages, 2 figures; Submitted to J. Phys. Chem. B