Phonon Scattering and Thermal Conductivity of Actinide Oxides with Defects
In the present study, we examine the effect of point defects and fission gases on thermal transport in representative actinide oxides used in modern reactors. In particular, oxygen interstitials and Kr/Xe fission gas bubbles are of primary focus. Reverse non-equilibrium molecular dynamics is employe...
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Published in | Applied sciences Vol. 10; no. 5; p. 1860 |
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Abstract | In the present study, we examine the effect of point defects and fission gases on thermal transport in representative actinide oxides used in modern reactors. In particular, oxygen interstitials and Kr/Xe fission gas bubbles are of primary focus. Reverse non-equilibrium molecular dynamics is employed to investigate thermal transport in UO2 and PuO2 with oxygen interstitials at the defect concentrations of 0.1%, 1%, and 5%. The results show that any alteration to the lattice structures of these fuels reduce their thermal conductivities significantly. For the largest UO2 structure simulated in the present study, for example, 0.1% oxygen interstitials decreased the thermal conductivity by 18.6%. For the case of the effect of fission gas bubbles, serious modification to phonon dispersion in oxide fuels is caused by the presence of a single fission gas bubble, resulting in a large temperature drop in their temperature profiles. The average interfacial thermal resistance across a fission gas bubble (comprised of 30 Kr and/or Xe atoms) is estimated to be 2.1 × 10−9 Km2/W. |
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AbstractList | In the present study, we examine the effect of point defects and fission gases on thermal transport in representative actinide oxides used in modern reactors. In particular, oxygen interstitials and Kr/Xe fission gas bubbles are of primary focus. Reverse non-equilibrium molecular dynamics is employed to investigate thermal transport in UO2 and PuO2 with oxygen interstitials at the defect concentrations of 0.1%, 1%, and 5%. The results show that any alteration to the lattice structures of these fuels reduce their thermal conductivities significantly. For the largest UO2 structure simulated in the present study, for example, 0.1% oxygen interstitials decreased the thermal conductivity by 18.6%. For the case of the effect of fission gas bubbles, serious modification to phonon dispersion in oxide fuels is caused by the presence of a single fission gas bubble, resulting in a large temperature drop in their temperature profiles. The average interfacial thermal resistance across a fission gas bubble (comprised of 30 Kr and/or Xe atoms) is estimated to be 2.1 × 10−9 Km2/W. |
Author | Mitchell, Katherine Farfan, Eduardo B. Park, Jungkyu Resnick, Alex Horner, Hunter |
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CitedBy_id | crossref_primary_10_1016_j_commatsci_2022_111528 crossref_primary_10_1039_D1TA10072F crossref_primary_10_1016_j_ceramint_2020_05_219 crossref_primary_10_3390_c9010021 |
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SubjectTerms | actinide oxides Bubbles Cold Conductivity defects Energy Equilibrium Gases Heat conductivity Heat transfer Interstitials Molecular dynamics Nuclear fuels Oxides phonon scattering Phonons Plutonium dioxide Point defects Researchers Simulation Studies Temperature profiles Thermal conductivity Thermal resistance Transport Uranium dioxide |
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Title | Phonon Scattering and Thermal Conductivity of Actinide Oxides with Defects |
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