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Molecular dynamics simulations of inner shell electronic energy losses in cluster-surface collisions

Timoner, S. J. and Shapiro, M. H. and Tombrello, T. A. (1996) Molecular dynamics simulations of inner shell electronic energy losses in cluster-surface collisions. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 114 (1-2). pp. 20-27. ISSN 0168-583X. http://resolver.caltech.edu/CaltechAUTHORS:20141021-131843877

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Abstract

Previous molecular dynamics simulations have predicted that in energetic cluster-surface collisions atoms can be core-excited leading to Auger transitions outside the target [5]. However, in these previous simulations the inelastic energy losses accompanying core-excitations were not taken into account. In our simulations a simple critical distance of approach to detect inner-shell excitations is used. Energy is removed from atoms in a single time step by moving the atoms apart from each other, taking away potential energy. Molecular dynamics simulations are carried out for 63-atom Al clusters and composite Al_(38)Au_(25)clusters incident on Au(100) targets and Au(111) targets. Each event is simulated with and without inelastic losses. Incident cluster energies ranged from 30 to 100 keV. Our results indicate a threshold for significant inelastic loss effects at approximately 70 keV/cluster, i.e., about 1 keV/atom. Above the threshold energy region, sputtered atom and ejected-cluster atom energy distributions were affected substantially.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1016/0168-583X(95)01582-5DOIArticle
http://www.sciencedirect.com/science/article/pii/0168583X95015825PublisherArticle
Additional Information:© 1996 Elsevier Science B.V. Received 8 September 1995. Supported in part by the National Science Foundation (Grant DMR93-18931 at Caltech and DMR93-12468 at CSUF). We wish to thank the California Institute of Technology for its support of the Physics 11 program that made SJT's participation in this project possible.
Funders:
Funding AgencyGrant Number
NSFDMR93-18931
NSFDMR93-12468
Record Number:CaltechAUTHORS:20141021-131843877
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20141021-131843877
Official Citation:S.J. Timoner, M.H. Shapiro, T.A. Tombrello, Molecular dynamics simulations of inner shell electronic energy losses in cluster-surface collisions, Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Volume 114, Issues 1–2, 2 June 1996, Pages 20-27, ISSN 0168-583X, http://dx.doi.org/10.1016/0168-583X(95)01582-5. (http://www.sciencedirect.com/science/article/pii/0168583X95015825)
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ID Code:50621
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:21 Oct 2014 21:32
Last Modified:21 Oct 2014 21:32

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