TY - JOUR
T1 - Activation volumes of oxygen self-diffusion in fluorite structured oxides
AU - Christopoulos, S-R. G.
AU - Kordatos, A.
AU - Cooper, M. W. D.
AU - Fitzpatrick, Michael E.
AU - Chroneos, A.
N1 - This paper is not available on the repository. There is a 12 month embargo period until 27 October 2017
PY - 2016/10/27
Y1 - 2016/10/27
N2 - Fluorite structured oxides are used in numerous applications and as such it is necessary to determine their materials properties over a range of conditions. In the present study we employ molecular dynamics calculations to calculate the elastic and expansivity data, which are then used in a thermodynamic model (the cBΩ model) to calculate the activation volumes of oxygen self-diffusion coefficient in ThO2, UO2 and PuO2 fluorite structured oxides over a wide temperature range. We present relations to calculate the activation volumes of oxygen self-diffusion coefficient in ThO2, UO2 and PuO2 for a wide range of temperature (300–1700 K) and pressure (−7.5 to 7.5 GPa).
AB - Fluorite structured oxides are used in numerous applications and as such it is necessary to determine their materials properties over a range of conditions. In the present study we employ molecular dynamics calculations to calculate the elastic and expansivity data, which are then used in a thermodynamic model (the cBΩ model) to calculate the activation volumes of oxygen self-diffusion coefficient in ThO2, UO2 and PuO2 fluorite structured oxides over a wide temperature range. We present relations to calculate the activation volumes of oxygen self-diffusion coefficient in ThO2, UO2 and PuO2 for a wide range of temperature (300–1700 K) and pressure (−7.5 to 7.5 GPa).
UR - https://www.scopus.com/pages/publications/84994414385
U2 - 10.1088/2053-1591/3/10/105504
DO - 10.1088/2053-1591/3/10/105504
M3 - Article
SN - 2053-1591
VL - 3
JO - Materials Research Express
JF - Materials Research Express
IS - 10
M1 - 105504
ER -