First Principles Modelling of Shape Memory Alloys Molecular Dynamics

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

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Series Editors Zhiming M. Wang, Fayetteville, AR, USA Chennupati Jagadish, Canberra, ACT, Australia Robert Hull, Charlottesville, VA, USA Richard M. Osgood, New York, NY, USA Jürgen Parisi, Oldenburg, Germany

For further volumes: http://www.springer.com/series/856

The Springer Series in Materials Science covers the complete spectrum of materials physics, including fundamental principles, physical properties, materials theory and design. Recognizing the increasing importance of materials science in future device technologies, the book titles in this series reflect the state-of-the-art in understanding and controlling the structure and properties of all important classes of materials.

Oliver Kastner

First Principles Modelling of Shape Memory Alloys Molecular Dynamics Simulations

123

Oliver Kastner Faculty of Mechanical Engineering Institute for Materials Ruhr University Bochum 44780 Bochum Germany

ISSN 0933-033X ISBN 978-3-642-28618-6 DOI 10.1007/978-3-642-28619-3

ISBN 978-3-642-28619-3

(eBook)

Springer Heidelberg New York Dordrecht London Library of Congress Control Number: 2012937646 Ó Springer-Verlag Berlin Heidelberg 2012 This work is subject to copyright. All rights are reserved by the Publisher, whether the whole or part of the material is concerned, specifically the rights of translation, reprinting, reuse of illustrations, recitation, broadcasting, reproduction on microfilms or in any other physical way, and transmission or information storage and retrieval, electronic adaptation, computer software, or by similar or dissimilar methodology now known or hereafter developed. Exempted from this legal reservation are brief excerpts in connection with reviews or scholarly analysis or material supplied specifically for the purpose of being entered and executed on a computer system, for exclusive use by the purchaser of the work. Duplication of this publication or parts thereof is permitted only under the provisions of the Copyright Law of the Publisher’s location, in its current version, and permission for use must always be obtained from Springer. Permissions for use may be obtained through RightsLink at the Copyright Clearance Center. Violations are liable to prosecution under the respective Copyright Law. The use of general descriptive names, registered names, trademarks, service marks, etc. in this publication does not imply, even in the absence of a specific statement, that such names are exempt from the relevant protective laws and regulations and therefore free for general use. While the advice and information in this book are believed to be true and accurate at the date of publication, neither the authors nor the editors nor the publisher can accept any legal responsibility for any errors or omissions that may be made. The publisher makes no warranty, express or implied, with respect to the material contained herein. Printed on acid-free paper Springer is part of Springer Science+Business Media (www.springer.com)

To my dear family: Kristin, Janka, Lia, Juri, Ida and Janusch.

Preface

The fas