All Outputs (2)

Atomistic modelling of actinide oxides for nuclear fuel applications (2012)
Journal Article
Walker, S. R., Jackson, R. A., & Read, M. S. D. (2013). Atomistic modelling of actinide oxides for nuclear fuel applications. physica status solidi (c), 10(2), 197-201. https://doi.org/10.1002/pssc.201200513

Atomistic computer simulations were performed for the actinide oxides (UO2, PuO2 and MOX) in the temperature range 300 K-2000 K, in order to elucidate the physical and defect properties of these nuclear fuel materials. Parameterised cation-anion Buck... Read More about Atomistic modelling of actinide oxides for nuclear fuel applications.

Computer modelling of undoped and Eu 3+ ‐doped LiLa(WO 4 ) 2 (2012)
Journal Article
Amaral, J. B., de Moraes, J. R., Baldochi, S. L., Jackson, R. A., & Valerio, M. E. G. (2013). Computer modelling of undoped and Eu 3+ ‐doped LiLa(WO 4 ) 2. physica status solidi (c), 10(2), 165-167. https://doi.org/10.1002/pssc.201200510

In this work, computer modelling of the undoped and Eu3+-doped LiLa(WO4)2 structure was successfully achieved by energy minimization and mean field theory. The results were compared with experimental data previously published and are in good agreemen... Read More about Computer modelling of undoped and Eu 3+ ‐doped LiLa(WO 4 ) 2.