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The Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics

  • Book
  • © 2011

Overview

Authors:
  1. Christopher Race

    1. , Department of Physics, Imperial College London, London, United Kingdom

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  • Opens up a new chapter in the simulation of irradiation damage of metals
  • Give important new insights into the frictional effects of electrons
  • Nominated as an outstanding contribution by Imperial College London
  • Includes supplementary material: sn.pub/extras

Part of the book series: Springer Theses (Springer Theses)

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Table of contents (13 chapters)

  1. Front Matter

    Pages i-xvi
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  2. Introductory Material

    1. Front Matter

      Pages 1-1
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    2. Introduction

      • Christopher Race
      Pages 3-8

    3. A Radiation Damage Cascade

      • Christopher Race
      Pages 9-13

    4. The Treatment of Electronic Excitations in Atomistic Simulations of Radiation Damage—A Brief Review

      • Christopher Peter Race
      Pages 15-66

    5. Theoretical Background

      • Christopher Race
      Pages 67-100

  3. Simulating Radiation Damage in Metals

    1. Front Matter

      Pages 101-101
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    2. A Framework for Simulating Radiation Damage in Metals

      • Christopher Race
      Pages 103-111

    3. The Single Oscillating Ion

      • Christopher Race
      Pages 113-131

    4. Semi-classical Simulations of Collision Cascades

      • Christopher Race
      Pages 133-152

    5. The Nature of the Electronic Excitations

      • Christopher Race
      Pages 153-170

    6. The Electronic Forces

      • Christopher Peter Race
      Pages 171-187

    7. Channelling Ions

      • Christopher Race
      Pages 189-222

    8. The Electronic Drag Force

      • Christopher Race
      Pages 223-245

    9. Concluding Remarks

      • Christopher Race
      Pages 247-253

    10. Appendices

      • Christopher Race
      Pages 255-297

  4. Back Matter

    Pages 299-303
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Keywords

About this book

Atomistic simulations of metals under irradiation are indispensable for understanding damage processes at time- and length-scales beyond the reach of experiment. Previously, such simulations have largely ignored the effect of electronic excitations on the atomic dynamics, even though energy exchange between atoms and electrons can have significant effects on the extent and nature of radiation damage. This thesis presents the results of time-dependent tight-binding simulations of radiation damage, in which the evolution of a coupled system of energetic classical ions and quantum mechanical electrons is correctly described. The effects of electronic excitations in collision cascades and ion channeling are explored and a new model is presented, which makes possible the accurate reproduction of non-adiabatic electronic forces in large-scale classical molecular dynamics simulations of metals.

Authors and Affiliations

  • , Department of Physics, Imperial College London, London, United Kingdom

    Christopher Race

Bibliographic Information

  • Book Title: The Modelling of Radiation Damage in Metals Using Ehrenfest Dynamics

  • Authors: Christopher Race

  • Series Title: Springer Theses

  • DOI: https://doi.org/10.1007/978-3-642-15439-3

  • Publisher: Springer Berlin, Heidelberg

  • eBook Packages: Physics and Astronomy, Physics and Astronomy (R0)

  • Copyright Information: Springer-Verlag Berlin Heidelberg 2011

  • Hardcover ISBN: 978-3-642-15438-6Published: 07 January 2011

  • Softcover ISBN: 978-3-642-42302-4Published: 21 November 2014

  • eBook ISBN: 978-3-642-15439-3Published: 04 January 2011

  • Series ISSN: 2190-5053

  • Series E-ISSN: 2190-5061

  • Edition Number: 1

  • Number of Pages: XVI, 303

  • Topics: Solid State Physics, Theoretical, Mathematical and Computational Physics

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