The structure of mixed nitrogen-argon clusters |
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Authors: | J. W. Hewage F. G. Amar M.-F. de Feraudy G. Torchet |
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Affiliation: | (1) Department of Chemistry, University of Maine, Orono, ME 04469-5706, USA;(2) Laboratoire de Physique des Solides, Bâtiment 510, Université de Paris-Sud, Orsay, France |
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Abstract: | Using realistic pair potentials, we investigate thestructures of mixed clusters of argon and nitrogen in order tointerpret the experimental electron diffraction patternsreported by the Torchet group. Simulations of small clustersindicate that argon tends to segregate at the center of theclusters. For larger clusters, in the range of 50 to 200molecules, MC methods have been used to simulate structures thatare likely to be generated in the molecular beam. By comparingpredicted electron diffraction patterns with those recorded inthe experiments, our models allow us to estimate the averagesize and composition of the mixed clusters for a given set ofexperimental conditions (nozzle stagnation pressure and Arpartial pressure). |
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Keywords: | 36.40.-c Atomic and molecular clusters 82.20.WtComputational modeling simulation 61.14.-x Electrondiffraction and scattering |
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