From solid solution to cluster formation of Fe and Cr in $\alpha$-Zr

التفاصيل البيبلوغرافية
العنوان: From solid solution to cluster formation of Fe and Cr in $\alpha$-Zr
المؤلفون: Burr, P. A., Wenman, M. R., Gault, B., Moody, M. P., Ivermark, M., Rushton, M. J. D., Preuss, M., Edwards, L., Grimes, R. W.
المصدر: Journal of Nuclear Materials, 467 (2015) 320-331
سنة النشر: 2015
المجموعة: Condensed Matter
مصطلحات موضوعية: Condensed Matter - Materials Science
الوصف: To understand the mechanisms by which Fe and Cr additions increase the corrosion rate of irradiated Zr alloys, a combination of experimental (atom probe tomography, x-ray diffraction and thermoelectric power measurements) and modelling (density functional theory) techniques are employed to investigate the non-equilibrium solubility and clustering of Fe and Cr in binary Zr alloys. Cr occupies both interstitial and substitutional sites in the {\alpha}-Zr lattice, Fe favours interstitial sites, and a low-symmetry site that was not previously modelled is found to be the most favourable for Fe. Lattice expansion as a function of alloying concentration (in the dilute regime) is strongly anisotropic for Fe additions, expanding the $c$-axis while contracting the $a$-axis. Defect clusters are observed at higher solution concentrations, which induce a smaller amount of lattice strain compared to the dilute defects. In the presence of a Zr vacancy, all two-atom clusters are more soluble than individual point defects and as many as four Fe or three Cr atoms could be accommodated in a single Zr vacancy. The Zr vacancy is critical for the increased solubility of defect clusters, the implications for irradiation induced microstructure changes in Zr alloys are discussed.
Comment: 15 pages including figure, 9 figures, 2 tables. Submitted for publication in Acta Mater, Journal of Nuclear Materials (2015)
نوع الوثيقة: Working Paper
DOI: 10.1016/j.jnucmat.2015.10.001
URL الوصول: http://arxiv.org/abs/1501.06732
رقم الأكسشن: edsarx.1501.06732
قاعدة البيانات: arXiv