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From Hamiltonians to Phase Diagrams

The Electronic and Statistical-Mechanical Theory of sp-Bonded Metals and Alloys

  • Textbook
  • © 1987

Overview

Authors:
  1. Jürgen Hafner

    1. Institut für Theoretische Physik, Techn. Universität Wien, Wien, Austria

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Part of the book series: Springer Series in Solid-State Sciences (SSSOL, volume 70)

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Table of contents (12 chapters)

  1. Front Matter

    Pages I-XI
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  2. Introduction

    • Jürgen Hafner
    Pages 1-33

  3. Interatomic Forces in Metals and Alloys

    • Jürgen Hafner
    Pages 34-66

  4. Phase Stability of Crystalline Metals

    • Jürgen Hafner
    Pages 67-101

  5. Structure and Thermodynamics of Liquid Metals

    • Jürgen Hafner
    Pages 102-132

  6. The pT Phase Diagram of Pure Metals

    • Jürgen Hafner
    Pages 133-144

  7. Alloy Formation and Stability

    • Jürgen Hafner
    Pages 145-168

  8. Solid Substitutional Alloys

    • Jürgen Hafner
    Pages 169-206

  9. Intermetallic Compounds

    • Jürgen Hafner
    Pages 207-240

  10. Liquid Alloys

    • Jürgen Hafner
    Pages 241-281

  11. Alloy Phase Diagrams

    • Jürgen Hafner
    Pages 282-291

  12. Beyond the Phase Diagram: The Formation and Properties of Metastable Phases

    • Jürgen Hafner
    Pages 292-312

  13. Conclusions and Outlook

    • Jürgen Hafner
    Pages 313-314

  14. Back Matter

    Pages 315-404
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Keywords

About this book

The development of the modern theory of metals and alloys has coincided with great advances in quantum-mechanical many-body theory, in electronic structure calculations, in theories of lattice dynamics and of the configura­ tional thermodynamics of crystals, in liquid-state theory, and in the theory of phase transformations. For a long time all these different fields expanded quite independently, but now their overlap has become sufficiently large that they are beginning to form the basis of a comprehensive first-principles the­ ory of the cohesive, structural, and thermodynamical properties of metals and alloys in the crystalline as well as in the liquid state. Today, we can set out from the quantum-mechanical many-body Hamiltonian of the system of electrons and ions, and, following the path laid out by generations of the­ oreticians, we can progress far enough to calculate a pressure-temperature phase diagram of a metal or a composition-temperature phase diagram of a binary alloy by methods which are essentially rigorous and from first prin­ ciples. This book was written with the intention of confronting the materials scientist, the metallurgist, the physical chemist, but also the experimen­ tal and theoretical condensed-matter physicist, with this new and exciting possibility. Of course there are limitations to such a vast undertaking as this. The selection of the theories and techniques to be discussed, as well as the way in which they are presented, are necessarily biased by personal inclination and personal expertise.

Authors and Affiliations

  • Institut für Theoretische Physik, Techn. Universität Wien, Wien, Austria

    Jürgen Hafner

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