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A molecular dynamics simulation study of the influence of the lattice atom potential function upon atom ejection processes

Harrison, DE and Webb, RP (1982) A molecular dynamics simulation study of the influence of the lattice atom potential function upon atom ejection processes Journal of Applied Physics, 53 (6). pp. 4193-4201.

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Abstract

A molecular dynamics simulation has been used to investigate the sensitivity of atom ejection processes from a single-crystal target to changes in the atom-atom potential function. Four functions, three constructed from the Gibson potentials with Anderman's attractive well, and a fourth specifically developed for this investigation, were investigated in the Cu/Ar+ system over a range of ion energies from 1.0 to 10.0 kev with the KSE-B ion-atom potential. Well depths and widths also were varied. The calculations were done at normal incidence on the fcc (111) crystal orientation. Computed values were compared with experimental data where they exist. Sputtering yields, multimer yield ratios, layer yield ratios, and the ejected atom energy distribution vary systematically with the parameters of the atom-atom potential function. Calculations also were done with the modified Moliere function. Yields and other properties fall exactly into the positions predicted from the Born-Mayer function analysis. Simultaneous analysis of the ejected atom energy distribution and the ion energy dependence of the sputtering yield curve provides information about the parameters of both the wall and well portions of the atom-atom potential function.

Item Type: Article
Authors :
NameEmailORCID
Harrison, DEUNSPECIFIEDUNSPECIFIED
Webb, RPr.webb@surrey.ac.ukUNSPECIFIED
Date : 1 December 1982
Identification Number : 10.1063/1.331243
Depositing User : Symplectic Elements
Date Deposited : 17 May 2017 12:18
Last Modified : 17 May 2017 15:03
URI: http://epubs.surrey.ac.uk/id/eprint/834787

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