- Title
- Insight into interrelation between single-particle and collective diffusion in binary melts
- Creator
- Levchenko, Elena V.; Evteev, Alexander V.
- Relation
- ARC.DP170101812 https://dataportal.arc.gov.au/NCGP/Web/Grant/Grant/DP170101812
- Relation
- Physica A: Statistical Mechanics and its Applications Vol. 490, p. 1446-1453
- Publisher Link
- http://dx.doi.org/10.1016/j.physa.2017.09.021
- Publisher
- Elsevier
- Resource Type
- journal article
- Date
- 2018
- Description
- 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.
- Subject
- self-diffusion; collective diffusion; Mori–Zwanzig formalism; generalized langevin equation; binary melt; Ni–Al melts
- Identifier
- http://hdl.handle.net/1959.13/1454462
- Identifier
- uon:44948
- Identifier
- ISSN:0378-4371
- Language
- eng
- Reviewed
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