Oxygen diffusion in Gd-doped mixed oxides

Galvin, C. O. T.; Cooper, M. W. D.; Rushton, M. J. D.; Grimes, R. W.

doi:10.1016/j.jnucmat.2017.10.036

Title: Oxygen diffusion in Gd-doped mixed oxides

Journal Article · Mon Oct 23 00:00:00 EDT 2017 · Journal of Nuclear Materials

DOI:https://doi.org/10.1016/j.jnucmat.2017.10.036· OSTI ID:1406232

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^[1]; Grimes, R. W. ^[1]

Imperial College, London (United Kingdom). Dept. of Materials
Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Center for Integrated Nanotechnologies (CINT)

Molecular dynamics simulations have been performed to investigate oxygen transport in (U_xPu_x-1)_0.95Gd_0.05O_1.975, (U_xTh_x-1)_0.95Gd_0.05O_1.975 and (Pu_xTh_x-1)_0.95Gd_0.05O_1.975 between 1000 and 3200 K. Oxygen diffusivity and corresponding activation energies are examined and compared to values for the undoped (U_xPu_x-1)O₂, (U_xTh_x-1)O₂ and (Pu_xTh_x-1)O₂ systems where compositions between end members display enhanced diffusivity. Below the superionic transition oxygen diffusivity for the Gd doped systems is orders of magnitude greater compared to their undoped counterparts. But, enhanced diffusivity for doped mixed actinide cation compositions is not observed compared to doped end members. Furthermore, changes in activation energy suggest changes in diffusion regime, which correspond to the creation of thermally activated oxygen defects.

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Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE Office of Nuclear Energy (NE); USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC52-06NA25396

OSTI ID:: 1406232

Alternate ID(s):: OSTI ID: 1549474

Report Number(s):: LA-UR-17-27559; TRN: US1703131

Journal Information:: Journal of Nuclear Materials, Vol. 498; ISSN 0022-3115

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 3 works

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