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...
| Main Authors: | , , , , , , , |
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| Format: | Book Chapter |
| Published: |
John Wiley & Sons
2016
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| Online Access: | http://hdl.handle.net/20.500.11937/63220 |