Jump to main content
Jump to site search

Issue 3, 2009
Previous Article Next Article

Point defects in two-dimensional colloidal crystals: simulation vs. elasticity theory

Author affiliations

Abstract

Using numerical and analytical calculations we study the structure of vacancies and interstitials in two-dimensional colloidal crystals. In particular, we compare the displacement fields of the defect obtained numerically with the predictions of continuum elasticity theory for a simple defect model. In such a comparison it is of crucial importance to employ corresponding boundary conditions both in the particle and in the continuum calculations. Here, we formulate the continuum problem in a way that makes it analogous to the electrostatics problem of finding the potential of a point charge in periodic boundary conditions. The continuum calculations can then be carried out using the technique of Ewald summation. For interstitials, the displacement fields predicted by elasticity theory are accurate at large distances, but large deviations occur near the defect for distances of up to 10 lattice spacings. For vacancies, the elasticity theory predictions obtained for the simple model do not reproduce the numerical results even far away from the defect.

Graphical abstract: Point defects in two-dimensional colloidal crystals: simulation vs. elasticity theory

Back to tab navigation

Article information


Submitted
20 Jun 2008
Accepted
01 Oct 2008
First published
21 Nov 2008

Soft Matter, 2009,5, 646-659
Article type
Paper

Point defects in two-dimensional colloidal crystals: simulation vs. elasticity theory

W. Lechner and C. Dellago, Soft Matter, 2009, 5, 646
DOI: 10.1039/B810554E

Social activity

Search articles by author

Spotlight

Advertisements