Abstract: At high burnup, fission product lanthanide accumulate is substantial and obviously contributes to fuel-cladding chemical interaction upon migration to the Fe-based cladding interface. By doping with specific elements into the fuel alloy, the lanthanide accumulates may be precipitated into stable, non-migratory, and non-reactive phases within the fuel and thus significantly reduce and/or delay the onset of fuel-cladding chemical interaction. Experimentally, indium has been selected as the fuel dopant due to several attractive properties, such as its compatibility with the fuel, chemical inertness with cladding materials and reactivity with the lanthanides. In this study, first-principles calculations were performed to investigate ground-state properties of the indium-lanthanides (La, Ce, Pr and Nd) intermetallic compounds. The electronic and magnetic properties of InLa, CeIn3, αInPr and In3Nd have been calculated in the presence of spin-orbit coupling, and anti-ferromagnetic ground state structures have been found to be the most stable phases for these compounds. In addition, the thermodynamic properties of these four compounds at given temperatures and pressures have been calculated. The study may lead to a better understanding of the function of indium of binding and stabilizing lanthanide fission products.
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2020, Vol. 34 
