A first-principles study of damage induced by gaseous species He, Kr, and Xe on the structure of nuclear fuel, U3Si

• Published in: Journal of applied physics Vol. 127; no. 17
• Main Authors: Gao, Haigen, Lin, Tongzheng, Liu, Yande, Liu, Xiaolong, Luo, Muxu
• Format: Journal Article
• Language: English
• Published: Melville American Institute of Physics 07.05.2020
• Subjects: Applied physics; Atomic properties; Atomic structure; Damage; Energy of formation; First principles; Free energy; Heat of formation; Helium; Krypton; Nuclear fuels; Silicon; Uranium silicide; Vacancies; Xenon

A first-principles approach is employed to study the damage caused by gaseous species, He, Kr, and Xe atoms, on the structures of nuclear fuel U3Si. Formation energies suggest that a U vacancy is more readily generated than is an Si vacancy, and that gaseous atoms, He, Kr, and Xe, favor residing in...