- Title
- Diffusion kinetics in binary liquid alloys with ordering and demixing tendencies
- Creator
- Kromik, Andreas; Levchenko, E.V.; Evteev, Alexander V.
- Relation
- Theory and Simulation in Physics for Materials Applications: Cutting-Edge Techniques in Theoretical and Computational Materials Science p. 109-132
- Relation
- Springer Series in Materials Science (SSMATERIALS) 296
- Publisher Link
- http://dx.doi.org/10.1007/978-3-030-37790-8_7
- Publisher
- Springer Cham
- Resource Type
- book chapter
- Date
- 2020
- Description
- Theoretical relationship between collective and tracer diffusion coefficients has been derived and tested for different types of binary melts: (i) with an ordering tendency (case study on Ni-Al and Ni-Zr melts) and (ii) with a demixing tendency (case study on Cu-Ag melts). The obtained relationship explicitly demonstrates microscopic cross-correlation effects in the kinetics of collective diffusion. Our approach incorporates molecular dynamics calculations, modelling and statistical mechanical analysis based on fundamental concepts of the fluctuation-dissipation theorem, generalized Langevin equation and Mori-Zwanzig formalism. We also applied the developed theory to interpret recent available experimental data as well as our molecular dynamics data of diffusion kinetics in different types of binary melts: with chemical ordering and contrarily with demixing tendency.
- Description
- 1st ed.
- Subject
- diffusion coefficients; Ni-Al liquid ally; Cu-Ag liquid alloy; Ni-Zr liquid alloy; fluctuation-dissipation theorem
- Identifier
- http://hdl.handle.net/1959.13/1461983
- Identifier
- uon:46356
- Identifier
- ISBN:9783030377892
- Language
- eng
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