New method of calculating adsorption and scattering for Xe-Pt(111) using Direct Simulation Monte Carlo techniques
Document Type
Article
Publication Date
11-2012
Abstract
A new scheme is presented for calculating adsorption and scattering for a gas–surface system in the thermal scattering regime using Direct Simulation Monte Carlo techniques. Results are compared with experimental data for the Xe-Pt(111) gas–surface system at surface temperatures of 95 K (adsorption) and 800 K (scattering). Fair agreement is found for the initial adsorption probability, while good agreement is found for the adsorption probability versus coverage. When implemented with the Cercignani–Lampis–Lord scattering kernel, the new scheme was found to improve scattering properties. Any scattering kernel or method amenable to Direct Simulation Monte Carlo techniques may be applied with the new scheme. Optimal values of accommodation coefficients were also found for the surface (αn = 0.74, αt = 0.60) and the adlayer (αn,ad = 0.89, αt,ad = 0.60).
Source Publication
Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films (ISSN 0734-2101 | eISSN 1520-8559)
Recommended Citation
Brook I. Bentley, Robert B. Greendyke; New method of calculating adsorption and scattering for Xe-Pt(111) using Direct Simulation Monte Carlo techniques. J. Vac. Sci. Technol. A 1 November 2012; 30 (6): 061401. https://doi.org/10.1116/1.4748801
Comments
This article is published by the American Vacuum Society, and is reachable by the DOI link below. Digital rights to the article are managed by AIP Publishing. A subscription is required for full article access.
Co-author B. Bentley was an AFIT PhD student at the time of this publication. (AFIT-ENY-DS-13-S-01, September 2013)