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http://hdl.handle.net/2445/18805
Title: | Static structure and dynamics of the liquid Li-Na and Li-Mg alloys |
Author: | Canales Gabriel, Manel González Fernández, David José González Tesedo, Luis Enrique Padró i Cárdenas, Joan Àngel |
Keywords: | Líquids Física de l'estat sòlid Dinàmica de fluids Cristal·lografia Liquids Solid state physics Fluid dynamics Crystallography |
Issue Date: | 1998 |
Publisher: | The American Physical Society |
Abstract: | 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. |
Note: | Reproducció del document publicat a: http://dx.doi.org/10.1103/PhysRevE.58.4747 |
It is part of: | Physical Review E, 1998, vol. 58, núm 4, p. 4747-4757 |
URI: | http://hdl.handle.net/2445/18805 |
Related resource: | http://dx.doi.org/10.1103/PhysRevE.58.4747 |
ISSN: | 1063-651X |
Appears in Collections: | Articles publicats en revistes (Física de la Matèria Condensada) |
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