Title:
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Static structure and dynamics of the liquid Li-Na and Li-Mg alloys
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Author:
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Canales Gabriel, Manel; González Fernández, David José; González Tesedo, Luis Enrique; Padró i Cárdenas, Joan Àngel
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Other authors:
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Universitat de Barcelona |
Abstract:
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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. |
Subject(s):
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-Líquids -Física de l'estat sòlid -Dinàmica de fluids -Cristal·lografia -Liquids -Solid state physics -Fluid dynamics -Crystallography |
Rights:
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(c) American Physical Society, 1998
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Document type:
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Article Article - Published version |
Published by:
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The American Physical Society
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