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Modelling of short-range ordering kinetics in dilute multicomponent substitutional solid solutions

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68081723%3A_____%2F20%3A00525048" target="_blank" >RIV/68081723:_____/20:00525048 - isvavai.cz</a>

  • Result on the web

    <a href="https://www.tandfonline.com/doi/full/10.1080/14786435.2020.1750097?scroll=top&needAccess=true" target="_blank" >https://www.tandfonline.com/doi/full/10.1080/14786435.2020.1750097?scroll=top&needAccess=true</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1080/14786435.2020.1750097" target="_blank" >10.1080/14786435.2020.1750097</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Modelling of short-range ordering kinetics in dilute multicomponent substitutional solid solutions

  • Original language description

    Short-range ordering as the formation of couples and pairs between solutes is affected by their formation energies. This is not reflected in the standard regular solution model. Here, we present a new thermodynamic model which accounts for the dependence of the molar Gibbs energy on the concentrations of couples and pairs and their formation energies. The model treats kinetics of couples and pairs formation controlled by diffusion. This new model uses tracer diffusion coefficients of solutes and bond formation energies, which can be taken from ab initio calculations. Insofar, the current concept bridges the gap between ab initio methods and non-equilibrium thermodynamics. The reliability of the model is checked by comparison with kinetic Monte Carlo simulations. The model is applied to an Al-Mg-Si-Cu system. Finally, the configurational entropy for a binary system evaluated with the current model is compared with Bethe's approximation, which allows estimating of applicability limits of the current model.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • OECD FORD branch

    20303 - Thermodynamics

Result continuities

  • Project

    <a href="/en/project/EF16_025%2F0007304" target="_blank" >EF16_025/0007304: Architectured materials designed for additive manufacturing</a><br>

  • Continuities

    I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Others

  • Publication year

    2020

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    Philosophical Magazine

  • ISSN

    1478-6435

  • e-ISSN

  • Volume of the periodical

    100

  • Issue of the periodical within the volume

    15

  • Country of publishing house

    GB - UNITED KINGDOM

  • Number of pages

    21

  • Pages from-to

    1942-1961

  • UT code for WoS article

    000527211900001

  • EID of the result in the Scopus database

    2-s2.0-85083662127