Xenon mobility in γ-uranium and uranium–molybdenum alloys

Iasir, A. M.; Hammond, Karl D.

doi:10.1063/5.0059157

Title: Xenon mobility in γ-uranium and uranium–molybdenum alloys

Journal Article · 09 January 2022 · Journal of Applied Physics

DOI: https://doi.org/10.1063/5.0059157 · OSTI ID:1982352

Iasir, A. M. ^[1];

^[1]

Univ. of Missouri, Columbia, MO (United States)

Diffusion in bcc uranium and U–Mo alloys is of great interest because fission gas and other fission products impact the performance of nuclear fuels. We investigate the mobility of xenon and molybdenum in bcc uranium (⁠$$γ$$-U) and metallic U–Mo alloys by calculating the migration energies of xenon and molybdenum for various local compositions using density functional theory. We also calculate the solute–vacancy binding energies of different solutes to vacancies in bcc uranium. We find that the solute–vacancy binding energy in bcc uranium is significantly higher than it is in other bcc metals (e.g., Fe and W). We also find that the migration energy of molybdenum is substantially higher than the migration energy of xenon, indicating that xenon is much more mobile than molybdenum in bcc uranium. The presence of molybdenum in the nearest-neighbor shell around a xenon atom typically increases the migration energy of xenon, which indicates a reduction of xenon mobility in U–Mo alloys compared to pure bcc uranium.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF); National Science Foundation (NSF); U.S. Nuclear Regulatory Commission

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1982352

Journal Information:: Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 2 Vol. 131; ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Title: Xenon mobility in γ-uranium and uranium–molybdenum alloys

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