%0 Journal Article %T Solubility and vacancy-mediated interdiffusion in the Zr-Nb-Cr system %+ School of Mechanical and Manufacturing Engineering [Sydney] %+ Westinghouse Electric Sweden %+ Laboratoire de Modélisation Multi-échelles des Combustibles (LM2C) %A Tuli, Vidur %A Claisse, Antoine %A Messina, Luca %A Burr, Patrick A. %< avec comité de lecture %@ 0022-3115 %J Journal of Nuclear Materials %I Elsevier %V 548 %P 152867 %8 2021 %D 2021 %R 10.1016/j.jnucmat.2021.152867 %Z Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci]Journal articles %X To better understand the microstructural evolution of Cr-coated Zr alloy cladding, we investigate, using density functional theory calculations, the vacancy-mediated diffusion behaviour of Zr and Nb solutes in BCC-Cr as well as Zr and Cr solutes in BCC-Nb. The calculated vacancy formation and migration energies are in good agreement with available literature, as are the self-diffusivities. We show that in BCC-Cr both Nb and Zr are faster diffusers than Cr (vacancy-mediated self-diffusion). It was also found that both Zr and Nb segregate towards vacancy sinks in BCC-Cr at normal reactor operating temperatures, but at elevated temperatures their flux is expected to be in opposite directions. In BCC-Nb, we show that Cr is a slower diffuser than Nb self-diffusion, while Zr is faster; and both Zr and Cr are expected to decorate vacancy sinks in BCC-Nb at all temperatures relevant to reactor operation. A similar behaviour is likely to occur in -Nb phase found in Zr-Nb alloys. The implications of these findings for Cr-coated Zr alloy cladding are discussed. %G English %2 https://cea.hal.science/cea-03697914/document %2 https://cea.hal.science/cea-03697914/file/Manuscript_final_2column.pdf %L cea-03697914 %U https://cea.hal.science/cea-03697914 %~ CEA %~ DEN %~ DEN-CAD %~ CEA-CAD %~ MAP-CEA