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عنوان دوره: اولین همایش ملی توسعه فناوری نانو در علوم پایه و مهندسی

کد مقاله : 1034-DNBSE

¹دانشگاه مازندران

²دانشگاه آزاد اسلامی واحد کرمانشاه

³بابلسر

Uranium silicide compound is a promising candidate as low enriched uranium nuclear fuel in light water reactors. Here we report a comprehensive study on structural, elastic and thermodynamic properties of uranium silicide using plane wave-based density functional theory. The electron-ion interaction and exchange-correlation energy terms have been described by projected-augmented wave method and generalized gradient approximation scheme, respectively. The results showed good agreement between the experimental and theoretical lattice parameters. The temperature dependent thermodynamic properties of uranium silicide have also been evaluated using the phonon density of states.

First-Principles؛ nuclear fuel؛ Thermodynamic Properties؛ DFT؛ Breeder Reactor

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