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Topological connectivity analysis of accumulated radiation damage from multiple molecular dynamics recoil cascades

Published online by Cambridge University Press:  28 March 2012

Henry R. Foxhall ,
John H. Harding  and
Karl P. Travis
Henry R. Foxhall
Affiliation:
Department of Materials Science and Engineering, University of Sheffield, Sir Robert Hadfield Building, Mappin Street, Sheffield, South Yorkshire, S1 3JD, UK
John H. Harding
Affiliation:
Department of Materials Science and Engineering, University of Sheffield, Sir Robert Hadfield Building, Mappin Street, Sheffield, South Yorkshire, S1 3JD, UK
Karl P. Travis
Affiliation:
Department of Materials Science and Engineering, University of Sheffield, Sir Robert Hadfield Building, Mappin Street, Sheffield, South Yorkshire, S1 3JD, UK
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Abstract

The results of sequential large-scale molecular dynamics (MD) simulations of radiation damage cascades in Gd2Ti2O7 and Gd2Zr2O7 are presented. Twelve alpha recoil cascades, each due to a recoil atom with 40 keV of kinetic energy, are performed in both materials and a stark contrast in behaviour observed. Topological connectivity analysis is used to analyse the structural evolution of the two systems. Our results provide important insight into accumulation of disorder in pyrochlore-structured ceramics.

Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 1475: Symposium NW – Scientific Basis for Nuclear Waste Management XXXV , 2012 , imrc11-1475-nw35-o64
Copyright
Copyright © Materials Research Society 2012

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