Diffusion Kinetics in Binary Liquid Alloys with Ordering and Demixing Tendencies

  • Andreas Kromik
  • E. V. LevchenkoEmail author
  • Alexander V. Evteev
Part of the Springer Series in Materials Science book series (SSMATERIALS, volume 296)


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.


Diffusion coefficients Ni–Al liquid alloy Cu–Ag liquid alloy Ni–Zr liquid alloy Fluctuation-dissipation theorem 



This research was supported by the Australian Research Council through its Discovery Project Grants Scheme and Priority Research Center for Computer-Assisted Research Mathematics and Its Applications at the University of Newcastle.


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Copyright information

© Springer Nature Switzerland AG 2020

Authors and Affiliations

  • Andreas Kromik
    • 1
  • E. V. Levchenko
    • 2
    Email author
  • Alexander V. Evteev
    • 1
    • 2
  1. 1.School of Engineering, Priority Research Centre for Computer-Assisted Research Mathematics and Its Applications (CARMA)The University of NewcastleCallaghanAustralia
  2. 2.School of Mathematical and Physical Sciences, CARMAThe University of NewcastleCallaghanAustralia

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