Point defects in hard-sphere crystals

Authors
Pronk, S Frenkel, D
Citation
S. Pronk et D. Frenkel, Point defects in hard-sphere crystals, J PHYS CH B, 105(28), 2001, pp. 6722-6727
Citations number
8
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY B
ISSN journal
15206106 → ACNP
Volume
105
Issue
28
Year of publication
2001
Pages
6722 - 6727
Database
ISI
SICI code
1520-6106(20010719)105:28<6722:PDIHC>2.0.ZU;2-2
Abstract
We report numerical calculations of the concentration of interstitials in h ard-sphere crystals. We find that in a three-dimensional fee hard-sphere cr ystal at the melting point, the concentration of interstitials is 2.7(4) x 10(-8). This is some 3 orders of magnitude lower than the concentration of vacancies. A simple, analytical estimate yields a value that is in fair agr eement with the numerical results.