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• W2037903728 abstract "Molecular dynamic (MD) calculations were performed for the uranium–plutonium mixed nitride (U0.8Pu0.2)N in the temperature range 300–3000 K to evaluate the physicochemical properties of nitride fuels. The parameters of the interatomic potential were determined by fitting to the experimental values of the lattice parameters for UN and PuN. The lattice parameters, thermal expansion coefficient (α), compressibility (β), heat capacity, and thermal conductivity of (U0.8Pu0.2)N were evaluated by using the MD technique. The calculated lattice parameters, thermal expansion coefficient, and compressibility are intermediate between those of UN and PuN, similar to the case of real materials. The calculated heat capacity of (U0.8Pu0.2)N follows Neumann–Kopp’s law and is in agreement with the literature data. The calculated thermal conductivity of (U0.8Pu0.2)N is lower than that of both UN and PuN, which indicates that the Pu ions act as phonon scattering centers in the MD cell." @default.
• W2037903728 created "2016-06-24" @default.
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• W2037903728 date "2001-04-01" @default.
• W2037903728 modified "2023-09-26" @default.
• W2037903728 title "A molecular dynamics study on uranium–plutonium mixed nitride" @default.
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• W2037903728 doi "https://doi.org/10.1016/s0925-8388(01)00875-1" @default.
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