Efficient analytical expressions for dynamic structure of liquid binary alloys: K-Cs as a case study

Abstract : A fitting scheme for analysis of collective dynamics in liquid binary alloys is proposed. It is based on explicit treatment of contributions from three relaxing modes and two types of propagating modes to the partial density-density time correlation functions and corresponding partial dynamic structure factors. Exact sum rules for each partial dynamic structure factor were taken into account. The proposed fitting scheme was applied to the liquid equimolar K-Cs alloy. Analysis of simulation-derived partial time correlation functions as well as of their corresponding Bhatia-Thornton `number-concentration' combinations allowed dispersion and damping of the two branches of collective excitations and the behaviour of relaxing modes in a wide range of wave numbers to be obtained. A comparison with the inelastic neutron-scattering intensities for the liquid K-Cs alloy was performed.
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Journal of Physics: Condensed Matter, IOP Publishing, 2016, 28 (18), 〈10.1088/0953-8984/28/18/185102〉
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https://hal.univ-lorraine.fr/hal-01513803
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Soumis le : mardi 25 avril 2017 - 14:44:33
Dernière modification le : mardi 24 juillet 2018 - 11:45:23

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Jean-Francois Wax, Taras Bryk, Mark R. Johnson. Efficient analytical expressions for dynamic structure of liquid binary alloys: K-Cs as a case study. Journal of Physics: Condensed Matter, IOP Publishing, 2016, 28 (18), 〈10.1088/0953-8984/28/18/185102〉. 〈hal-01513803〉

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