Atomistic Simulations of Ceramic Materials Relevant for Nuclear Waste Management: Cases of Monazlte and Pyrochlore

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Atomistic Simulations of Ceramic Materials Relevant for Nuclear Waste Management: Cases of Monazlte and Pyrochlore

© 2016 The American Ceramic Society. All rights reserved. We performed systematic ab initio atomistic simulations of monazite (LnPO4) and pyrochlore (A2B2O7 )-type ceramics. The simulated properties include the thermodynamic parameters, the threshold displacement energies, the elastic constants and...

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Bibliographic Details
Main Authors:	Li, Y., Kowalski, P., Beridze, G., Blanca-Romero, A., Ji, Y., Vinograd, V., Gale, Julian, Bosbach, D.
Format:	Book Chapter
Published:	John Wiley & Sons 2016
Online Access:	http://hdl.handle.net/20.500.11937/63220

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