Atomic-scale effects of chromium-doping on defect behaviour in uranium dioxide fuel

التفاصيل البيبلوغرافية
العنوان: Atomic-scale effects of chromium-doping on defect behaviour in uranium dioxide fuel
المؤلفون: Zhexi Guo, R. Ngayam-Happy, Matthias Krack, Andreas Pautz
المصدر: Journal of Nuclear Materials. 488:160-172
بيانات النشر: Elsevier BV, 2017.
سنة النشر: 2017
مصطلحات موضوعية: inorganic chemicals, Nuclear and High Energy Physics, Materials science, Dopant, Doping, Uranium dioxide, technology, industry, and agriculture, chemistry.chemical_element, 02 engineering and technology, 021001 nanoscience & nanotechnology, 01 natural sciences, Crystallographic defect, Atomic units, 010305 fluids & plasmas, chemistry.chemical_compound, Chromium, Nuclear Energy and Engineering, chemistry, Cascade, Chemical physics, 0103 physical sciences, Collision cascade, General Materials Science, 0210 nano-technology
الوصف: The effects of doping conventional UO 2 fuel with chromium are studied through atomistic simulations using empirical force field methods. We first analyse the stable structures of unirradiated doped fuel by determining the preferred lattice configuration of chromium ions and oxygen vacancies within the matrix. In order to understand the physical effects of the dopants, we investigate the energy change upon inserting isolated defects and Frenkel pairs in the vicinity of chromium. The behaviour of point defects is then studied with collision cascade simulations and relaxation of doped simulation cells containing Frenkel pairs. The defective structures are analysed using an in-house tool named ASTRAM. Results indicate definite effects of chromium-doping on the ease with which defects are formed. Moreover, the extent of Cr effects on the residual damage following a displacement cascade is dependent on the dopant distribution and concentration in the fuel matrix.
تدمد: 0022-3115
DOI: 10.1016/j.jnucmat.2017.02.043
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::f38eb8c5ac06bac636cd1b4aa95e66e0
https://doi.org/10.1016/j.jnucmat.2017.02.043
Rights: CLOSED
رقم الانضمام: edsair.doi...........f38eb8c5ac06bac636cd1b4aa95e66e0
قاعدة البيانات: OpenAIRE
الوصف
تدمد:00223115
DOI:10.1016/j.jnucmat.2017.02.043