TY - JOUR
T1 - Analyzing the effect of pressure on the properties of point defects in γU–Mo through atomistic simulations
AU - Beeler, Benjamin
AU - Zhang, Yongfeng
AU - Jahid Hasan, Atm
AU - Park, Gyuchul
AU - Hu, Shenyang
AU - Mei, Zhi Gang
N1 - Funding Information:
This work was supported by the U.S. Department of Energy, Office of Material Management and Minimization, National Nuclear Security Administration, under DOE-NE Idaho Operations Office Contract DE-AC07-05ID14517. This manuscript has been authored by Battelle Energy Alliance, LLC with the U.S. Department of Energy. The publisher, by accepting the article for publication, acknowledges that the U.S. Government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript or allow others to do so, for U.S. Government purposes. This research made use of the resources of the High-Performance Computing Center at Idaho National Laboratory, which is supported by the Office of Nuclear Energy of the U.S. Department of Energy and the Nuclear Science User Facilities.
Funding Information:
This work was supported by the U.S. Department of Energy, Office of Material Management and Minimization, National Nuclear Security Administration, under DOE-NE Idaho Operations Office Contract DE-AC07-05ID14517. This manuscript has been authored by Battelle Energy Alliance, LLC with the U.S. Department of Energy. The publisher, by accepting the article for publication, acknowledges that the U.S. Government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript or allow others to do so, for U.S. Government purposes. This research made use of the resources of the High-Performance Computing Center at Idaho National Laboratory, which is supported by the Office of Nuclear Energy of the U.S. Department of Energy and the Nuclear Science User Facilities.
Publisher Copyright:
© 2022, The Author(s), under exclusive licence to The Materials Research Society.
PY - 2023/1
Y1 - 2023/1
N2 - Abstract: Uranium–molybdenum (U–Mo) alloys in monolithic fuel foil are the primary candidate for the conversion of high-performance research reactors in the USA. Monolithic fuel is utilized in a plate-type design with a zirconium diffusion barrier and aluminum cladding. These fuel types are unique in that they contain no plenum for the release of fission gases, which, in conjunction with the aluminum cladding, can lead to large stress states within the fuel. The nature of how fundamental processes of radiation damage, including the evolution of point defects, under such stresses occur is unknown. In this work, we present molecular dynamics simulations of the formation energy of point defects under applied stress. This work will allow for the implementation of stress-dependent microstructural evolution models of nuclear fuels, including those for both fission gas bubble growth and creep, which are critical to ensure the stable and predictable behavior of research reactor fuels. Graphical abstract: [Figure not available: see fulltext.]
AB - Abstract: Uranium–molybdenum (U–Mo) alloys in monolithic fuel foil are the primary candidate for the conversion of high-performance research reactors in the USA. Monolithic fuel is utilized in a plate-type design with a zirconium diffusion barrier and aluminum cladding. These fuel types are unique in that they contain no plenum for the release of fission gases, which, in conjunction with the aluminum cladding, can lead to large stress states within the fuel. The nature of how fundamental processes of radiation damage, including the evolution of point defects, under such stresses occur is unknown. In this work, we present molecular dynamics simulations of the formation energy of point defects under applied stress. This work will allow for the implementation of stress-dependent microstructural evolution models of nuclear fuels, including those for both fission gas bubble growth and creep, which are critical to ensure the stable and predictable behavior of research reactor fuels. Graphical abstract: [Figure not available: see fulltext.]
UR - http://www.scopus.com/inward/record.url?scp=85139799269&partnerID=8YFLogxK
UR - https://www.mendeley.com/catalogue/8e719422-5178-3f51-aee8-67999c23a245/
U2 - 10.1557/s43580-022-00350-y
DO - 10.1557/s43580-022-00350-y
M3 - Article
AN - SCOPUS:85139799269
SN - 2059-8521
VL - 8
SP - 1
EP - 5
JO - MRS Advances
JF - MRS Advances
IS - 1
ER -