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Static structure and dynamics of the liquid Li-Na and Li-Mg alloys
Canales Gabriel, Manel; González Fernández, David José; González Tesedo, Luis Enrique; Padró i Cárdenas, Joan Àngel
Universitat de Barcelona
We present calculations for the static structure and ordering properties of two lithium-based s-p bonded liquid alloys, Li-Na and Li-Mg. Our theoretical approach is based on the neutral pseudoatom method to derive the interatomic pair potentials, and on the modified-hypernetted-chain theory of liquids to obtain the liquid static structure, leading to a whole combination that is free of adjustable parameters. The study is complemented by performing molecular dynamics simulations which, besides checking the theoretical static structural results, also allow a calculation of some dynamical properties. The obtained results are compared with the available experimental data.
Física de l'estat sòlid
Dinàmica de fluids
Solid state physics
Fluid dynamics
(c) American Physical Society, 1998
The American Physical Society

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