Molecular dynamics analyses of an Al(110) surface

M.C.G. Lim and Z.W. Zhong

Physica A: Statistical Mechanics and its Applications, 2009, vol. 388, issue 19, 4083-4090

Abstract: This paper presents classical molecular dynamics (MD) simulations of an aluminum slab under a premelting condition. The aluminum surface is set at the (110) orientation. We have used a simple analytical form of an embedded-atom-method (EAM) potential to describe the inter-atomic interactions of the aluminum atoms. The results from our study are compared with those reported by Schommers. The pair correlation function is examined at different temperatures in order to analyze the trends for possible resemblance with Schommers results. The difference in the trends has confirmed that the use of the EAM potential resulted in the occurrence of the premelting condition at a lower temperature than the reported results obtained using the pseudopotential model. The surface melting process is also compared with other works for a better understanding of the effect of the EAM model on premelting of the Al(110) surface.

Keywords: Molecular dynamics; Aluminum; Diffusion; Pair correlation function (search for similar items in EconPapers)
Date: 2009
References: View references in EconPapers View complete reference list from CitEc
Citations: View citations in EconPapers (1)

Downloads: (external link)
http://www.sciencedirect.com/science/article/pii/S0378437109004944
Full text for ScienceDirect subscribers only. Journal offers the option of making the article available online on Science direct for a fee of $3,000

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:388:y:2009:i:19:p:4083-4090

DOI: 10.1016/j.physa.2009.06.043

Access Statistics for this article

Physica A: Statistical Mechanics and its Applications is currently edited by K. A. Dawson, J. O. Indekeu, H.E. Stanley and C. Tsallis

More articles in Physica A: Statistical Mechanics and its Applications from Elsevier
Bibliographic data for series maintained by Catherine Liu ().