Experimental and numerical assessment of grain boundary energies in polycrystalline uranium dioxide

التفاصيل البيبلوغرافية
العنوان: Experimental and numerical assessment of grain boundary energies in polycrystalline uranium dioxide
المؤلفون: Ksibi, A., Iltis, X., Bourasseau, E., Drouan, D., Gaudet, M., Germain, A., Pena Revellez, Alexandra, Lapertot, G., Brison, J.-P., Belin, R.C.
المساهمون: Institut d’Électronique, de Microélectronique et de Nanotechnologie - UMR 8520 IEMN, Optique et Matériaux NEEL - OPTIMA, Instrumentation, Material and Correlated Electrons Physics IMAPEC
بيانات النشر: Elsevier
سنة النشر: 2020
المجموعة: LillOA (Lille Open Archive - Université de Lille)
مصطلحات موضوعية: Uranium dioxide, UO2, Grain boundaries, Groove, Thermal grooving theory, Grain boundary energy, surface energy, CRG potential
الوصف: Uranium dioxide ceramics are widely used as nuclear fuels. Thus, it is important to understand the role of the grain boundaries (GBs) which decisively govern the properties of these polycrystalline materials and subsequently determine their performances. Here, we report a coupled numerical-experimental approach enabling to assess GB energies. Firstly, GB formation energies (γgb) were computed for 34 symmetric tilt GBs in UO2 with molecular dynamics simulations at 1700 K. The surface energies (γS) relative to the respective planes of these GBs were calculated as well. The Herring relation was then used to assess the dihedral angles Ψ of the corresponding GB grooves. Secondly, a UO2 ceramic sample was annealed at 1673 K to obtain GB grooves. The CSL GBs of interest were identified by EBSD and their Ψ angles determined by AFM. Computed and measured Ψ values were found to be very close.
نوع الوثيقة: conference object
وصف الملف: application/octet-stream
اللغة: English
Relation: http://hdl.handle.net/20.500.12210/44402
الاتاحة: https://hdl.handle.net/20.500.12210/44402
Rights: info:eu-repo/semantics/openAccess
رقم الانضمام: edsbas.2401ABA7
قاعدة البيانات: BASE