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Modelling Atomic Arrangements in Multicomponent Alloys A Perturbative, First-Principles-Based Approach /

This book provides a comprehensive overview of a computationally efficient approach for modelling the phase behaviour of multicomponent alloys from first principles, describing both short- and long-range atomic ordering tendencies. The study of multicomponent alloy systems, which combine three or mo...

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Autor principal: Woodgate, Christopher D. (Autor)
Autor corporatiu: SpringerLink (Online service)
Format: Electrònic eBook
Idioma:anglès
Publicat: Cham : Springer Nature Switzerland : Imprint: Springer, 2024.
Edició:1st ed. 2024.
Col·lecció:Springer Series in Materials Science, 346
Matèries:
Mathematical physics.
Computer simulation.
Materials science > Data processing.
Metals.
Molecular dynamics.
Density functionals.
Computational Physics and Simulations.
Computational Materials Science.
Metals and Alloys.
Molecular Dynamics.
Density Functional Theory.
Accés en línia:https://doi.org/10.1007/978-3-031-62021-8
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Taula de continguts:
  • Introduction
  • Statistical Physics of Multicomponent Alloys
  • Electronic Structure Ab Initio
  • Atomic Short-Range Order and Phase Stability of the Refractory High-Entropy Alloys
  • Multiphase Behaviour in the Ti𝒙NbMoTaW and Ti𝒙VNbMoTaW High-Entropy Alloys
  • Phase Stability of the Cantor-Wu Medium- and High-Entropy Alloys
  • A Cautionary Tale: Treatment of the Magnetic State in the Cantor-Wu Alloys
  • Compositional Order and Subsequent Magnetostriction in Fe1−𝒙Ga𝒙 (Galfenol)
  • Summary, Conclusions, and Outlook.

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