Ordering at Solid-Liquid Interfaces Between Dissimilar Materials
Abstract
In an earlier report we explored structural correlations at a liquid-solid interface with molecular dynamics simulations of a model aluminium system using the Ercolessi-Adams potential and up to 4320 atoms. Substrate atoms were pinned to their equilibrium fcc crystalline positions while liquid atoms were free to move. A direct correlation between the amount of ordering in the liquid phase and the underlying substrate orientation was found. In the present paper we extend this study to the case of a fixed bcc substrate in contact with liquid aluminium. We find surprisingly similar results for the density profiles of both (100) and (110) substrates. However, there is a far greater in-plane ordering in the (100) than for the (110) system. For the (100) substrates we observe adsorption of liquid atoms into the terminating plane of the bcc (100) substrate, effectivel
Keywords
Cite
@article{arxiv.cond-mat/0112493,
title = {Ordering at Solid-Liquid Interfaces Between Dissimilar Materials},
author = {Adham Hashibon and Joan Adler and Michael W. Finnis and Wayne D. Kaplan},
journal= {arXiv preprint arXiv:cond-mat/0112493},
year = {2007}
}
Comments
10 pages, 8 pages