کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1625025 1516420 2008 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Molecular dynamics study on planar clustering of xenon in UO2
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد فلزات و آلیاژها
پیش نمایش صفحه اول مقاله
Molecular dynamics study on planar clustering of xenon in UO2
چکیده انگلیسی
Interatomic potentials of uranium dioxide are investigated on their applicability to model structural stabilities beyond fluorite phase by comparing with ab initio results. A high pressure cotunnite phase and loosely stacking virtual crystal are involved in order to get a primary confidence for large-scale deformation modelings of UO2 under irradiation damages. The behavior of Xe atoms in UO2 fuel is studied with molecular dynamics simulations. Besides the ground state bubble geometry, we find that a planar distribution is also (meta-)stable for xenon under thermodynamic perturbations. The Xe atoms with a planar configuration are in a liquid state at a typical reactor temperature of 1000 K, which presents a modulated layer-structure near the interface with solid UO2. A planar defects loop remains after these Xe atoms are released out.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Alloys and Compounds - Volume 457, Issues 1–2, 12 June 2008, Pages 465-471
نویسندگان
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