First Principles Modelling of Shape Memory Alloys

Molecular Dynamics Simulations

  • Oliver┬áKastner
Part of the Springer Series in Materials Science book series (SSMATERIALS, volume 163)

Table of contents

  1. Front Matter
    Pages i-xv
  2. Oliver Kastner
    Pages 1-34
  3. Oliver Kastner
    Pages 59-85
  4. Oliver Kastner
    Pages 87-149
  5. Oliver Kastner
    Pages 151-163
  6. Oliver Kastner
    Pages 165-168
  7. Back Matter
    Pages 169-173

About this book

Introduction

Materials sciences relate the macroscopic properties of materials to their microscopic structure and postulate the need for holistic multiscale research. The investigation of shape memory alloys is a prime example in this regard. This particular class of materials exhibits strong coupling of temperature, strain and stress, determined by solid state phase transformations of their metallic lattices.
The present book presents a collection of simulation studies of this behaviour. Employing conceptually simple but comprehensive models, the fundamental material properties of shape memory alloys are qualitatively explained from first principles. Using contemporary methods of molecular dynamics simulation experiments, it is shown how microscale dynamics may produce characteristic macroscopic material properties.
The work is rooted in the materials sciences of shape memory alloys and  covers  thermodynamical, micro-mechanical  and crystallographical aspects. It addresses scientists in these research fields and their students.

Keywords

computational research lattice transformation thermodynamics martensitic transformations molecular dynamics simulations shape memory alloys

Authors and affiliations

  • Oliver┬áKastner
    • 1
  1. 1.Faculty of Mechanical Engineering, Institute for MaterialsRuhr University BochumBochumGermany

Bibliographic information

  • DOI https://doi.org/10.1007/978-3-642-28619-3
  • Copyright Information Springer-Verlag Berlin Heidelberg 2012
  • Publisher Name Springer, Berlin, Heidelberg
  • eBook Packages Physics and Astronomy
  • Print ISBN 978-3-642-28618-6
  • Online ISBN 978-3-642-28619-3
  • Series Print ISSN 0933-033X
  • Series Online ISSN 2196-2812
  • About this book