Ab initio interionic potentials for UN by multiple lattice inversion

PH Chen and XL Wang and XC Lai and G Li and BY Ao and Y Long, JOURNAL OF NUCLEAR MATERIALS, 404, 6-8 (2010).

DOI: 10.1016/j.jnucmat.2010.06.017

Based on the Chen-Mobius lattice inversion and a series of pseudopotential total-energy curves, interionic pair potentials for UN were derived By means of molecular dynamic (MD), we have examined this interionic potentials Comparing with the experimental data, the thermal expansion coefficient and the compressibility were well reproduced by this potentials (C) 2010 Elsevier B.V. All rights reserved

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