Point Defects in Hard Sphere Crystals

Sander Pronk; Daan Frenkel

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arXiv · cond-mat/0105060

Point Defects in Hard Sphere Crystals

Sander Pronk·Daan Frenkel

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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.

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Sander Pronk, Daan Frenkel. 2001-05-03. Point Defects in Hard Sphere Crystals. https://arxiv.org/abs/cond-mat/0105060

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