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Molecular Dynamics Study of the Influence of a Surface on a Simplified Nuclear Glass Structure and on Displacement Cascades

Published online by Cambridge University Press:  10 February 2011

A. Abbas ,
J.M. Delaye ,
D. Ghaleb ,
Y. Serruys  and
G. Calas
A. Abbas
Affiliation:
Commissariat à l'Energie Atomique (CEA), Centre d'Etude Nucléaire de Saclay, DTA/CEREM/DECM/SRMP, 91191 Gif-sur-Yvette Cedex, France
J.M. Delaye
Affiliation:
Commissariat à l'Energie Atomique (CEA), Centre d'Etude Nucléaire de la Vallée du Rhône, DCCDRRV/SCD/LECM, BP171, 30207 Bagnols-sur-Cèze Cedex, France
D. Ghaleb
Affiliation:
Commissariat à l'Energie Atomique (CEA), Centre d'Etude Nucléaire de la Vallée du Rhône, DCCDRRV/SCD/LECM, BP171, 30207 Bagnols-sur-Cèze Cedex, France
Y. Serruys
Affiliation:
Commissariat à l'Energie Atomique (CEA), Centre d'Etude Nucléaire de Saclay, DTA/CEREM/DECM/SRMP, 91191 Gif-sur-Yvette Cedex, France
G. Calas
Affiliation:
Laboratoire de Minéralogie-Cristallographie, Universités Paris VI-VII et Institut de Physique du Globe de Paris, UMR-CNRS-7590, France
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Abstract

Irradiation effects which occur in nuclear waste glasses are often reproduced by external irradiations. Interesting questions arise about the application of observed phenomena to real waste glasses. For a better understanding of the role of the surface, we have simulated a surface on a 7 oxides glass using Molecular Dynamics. Modifications of the glassy structure, limited to the first 4 Å, have been observed. We also report in this paper on the influence of surface on the behaviour of displacement cascades, characterised by an increased number of displaced atoms, and also by a larger displacements of sodium atoms in the surface region.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 608: Symposium QQ – Scientific Basis for Nuclear Waste Management XXIII , 1999 , 481
Copyright
Copyright © Materials Research Society 2000

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