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Liquid target generation techniques in molecular dynamics studies of sputtering

Lo, D. Y. and Tombrello, T. A. and Shapiro, M. H. (1986) Liquid target generation techniques in molecular dynamics studies of sputtering. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 17 (3). pp. 207-212. ISSN 0168-583X. http://resolver.caltech.edu/CaltechAUTHORS:20141029-105504963

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Abstract

Techniques of generating liquid targets for molecular dynamics studies of sputtering were investigated in systems consisting of 603 Cu atoms. The effects of different boundary conditions on sputtering yield, layer yield ratio, energy distribution, and polar angular distribution of ejected particles were found to be important. A box boundary condition and a semiperiodic boundary condition were considered. The box boundary conditions required the particles to experience pure reflection at the boundaries, while semiperodic boundary conditions demanded position and momentum periodicity in the two dimensions defined by the surface of the target. Sputtering from the target generated with a box boundary condition resulted in a 60% higher total yield, a slightly higher first layer yield ratio, a 60% lower surface binding energy, and a sharper polar angular distribution than from the target generated under a semiperodic boundary condition at the same temperature. Since the results obtained with the semiperiodic boundary conditions are in better agreement with experimental sputtering results, we have concluded that the semiperiodic boundary conditions produces a target that better represents the free surface of real liquid systems.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1016/0168-583X(86)90059-5 DOIArticle
http://www.sciencedirect.com/science/article/pii/0168583X86900595PublisherArticle
Additional Information:© 1986 Elsevier Science Publishers B.V. Received 15 November 1985 and in revised form 20 March 1986. Supported in part by the National Science Foundation [DMR83-06541 and DMR84-21119 (Caltech) and DMR83-06548 (CSUF)], the Alexander von Humboldt Foundation, and Schlumberger-Doll Research. We wish to thank Professor Don L. Harrison Jr and Dr. Peter K. Haff for many helpful discussions during the course of this work. The support of the staffs of the California State University Data Center and the California State University, Fullerton Computer Center is gratefully acknowledged.
Funders:
Funding AgencyGrant Number
NSFDMR 83-06541
NSFDMR 84-21119
NSFDMR 83-06548
Alexander von Humboldt FoundationUNSPECIFIED
Schlumberger-Doll ResearchUNSPECIFIED
Record Number:CaltechAUTHORS:20141029-105504963
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20141029-105504963
Official Citation:D.Y. Lo, T.A. Tombrello, M.H. Shapiro, Liquid target generation techniques in molecular dynamics studies of sputtering, Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Volume 17, Issue 3, October 1986, Pages 207-212, ISSN 0168-583X, http://dx.doi.org/10.1016/0168-583X(86)90059-5. (http://www.sciencedirect.com/science/article/pii/0168583X86900595)
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:51000
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:29 Oct 2014 19:35
Last Modified:29 Oct 2014 19:35

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