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cond-mat.mtrl-sci2022★ 18 cited
Transferability of Zr-Zr interatomic potentials
Oliver G. Nicholls, Dillion Frost, Vidur Tuli +3
Tens of Zr inter-atomic potentials (force fields) have been developed to enable atomic-scale simulations of Zr alloys. These can provide critical insight in the in-reactor behaviou…
cond-mat.mtrl-sci2022
Structural and phase evolution in USi during steam corrosion
Jiatu Liu, Patrick A. Burr, Joshua T. White +7
USi nuclear fuel is corroded in deuterated steam with in situ neutron diffraction. Density functional theory is coupled with rigorous thermodynamic description of the hydri…