Insight into interrelation between single-particle and collective diffusion in binary melts

Elena V. Levchenko and Alexander V. Evteev

Physica A: Statistical Mechanics and its Applications, 2018, vol. 490, issue C, 1446-1453

Abstract: The interrelation between the kinetics of single-particle (tracer) and collective diffusion in a binary melt is investigated theoretically within the framework of the Mori–Zwanzig formalism of statistical mechanics. An analytical expression for the Onsager coefficient for mass transport and two self-diffusion coefficients of species in a binary melt is derived using analysis based on the generalized Langevin equation. The derived expression naturally accounts for manifestation of microscopic (dynamic) cross-correlation effects in the kinetics of collective diffusion. Hence, it presents an explicit extension of the well-known Darken equation which is currently often used for expressing collective interdiffusion in terms of the two self-diffusion coefficients. An application of our analysis for interpretation of recent experimental data on the interrelation between the kinetics of single-particle and collective diffusion in Al-rich Ni–Al melts is demonstrated.

Keywords: Self-diffusion; Collective diffusion; Mori–Zwanzig formalism; Generalized Langevin equation; Binary melt; Ni–Al melts (search for similar items in EconPapers)
Date: 2018
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:490:y:2018:i:c:p:1446-1453

DOI: 10.1016/j.physa.2017.09.021

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