Shapiro, M. H. and Tombrello, T. A. (1995) An instantaneous inelastic energy loss algorithm for use in molecular dynamics simulations. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 102 (1-4). pp. 277-280. ISSN 0168-583X. doi:10.1016/0168-583X(95)80154-E. https://resolver.caltech.edu/CaltechAUTHORS:20141020-155651984
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Abstract
We have developed an instantaneous inelastic energy loss algorithm for use in molecular dynamics simulations of sputtering. This algorithm uses distance-of-closest-approach (DCA) criteria to initiate inner-shell electronic excitation, and subsequent removal of the excitation energy following hard atom-atom and ion-atom collisions. The DCA criteria used in the algorithm are based on the electron promotion models of Fano and Lichten [Phys. Rev. Lett. 14 (1965) 627] and Barat and Lichten [Phys. Rev. A 6 (1972) 211]. The amount of energy removed in these hard atom-atom and ion-atom collisions is determined by the energy needed to excite one or more inner-shell electrons to the continuum. This algorithm has been used to stimulate inelastic energy loss effects for the Ar^+-Cu(100) and Ar^+-Cu(111) systems at bombarding energies between 1 keV and 5 keV. Significant reductions in sputtering yields are produced above a bombarding energy threshold of approximately 2 keV. Polar-angle distributions of atoms sputtered from the Cu(100) surface also are changed significantly by this instantaneous inelastic energy loss model.
Item Type: | Article | |||||||||
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Additional Information: | © 1995 Elsevier Science B.V. Supported in part by the National Science Foundation (Grants DMR90-02532 and DMR93-12468 at CSUF and Grant DMR93-18931 at Caltech). | |||||||||
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Issue or Number: | 1-4 | |||||||||
DOI: | 10.1016/0168-583X(95)80154-E | |||||||||
Record Number: | CaltechAUTHORS:20141020-155651984 | |||||||||
Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:20141020-155651984 | |||||||||
Official Citation: | M.H. Shapiro, T.A. Tombrello, An instantaneous inelastic energy loss algorithm for use in molecular dynamics simulations, Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Volume 102, Issues 1–4, August 1995, Pages 277-280, ISSN 0168-583X, http://dx.doi.org/10.1016/0168-583X(95)80154-E. (http://www.sciencedirect.com/science/article/pii/0168583X9580154E) | |||||||||
Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | |||||||||
ID Code: | 50583 | |||||||||
Collection: | CaltechAUTHORS | |||||||||
Deposited By: | Tony Diaz | |||||||||
Deposited On: | 21 Oct 2014 00:51 | |||||||||
Last Modified: | 10 Nov 2021 18:57 |
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