NANOCOMPUTING. Computational Physics for Nanoscience and Nanotechnology

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NANOCOMPUTING

Computational Physics for

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NANOCOMPUTING

Computational Physics for

Nanoscience and Nanotechnology

James J Y Hsu

National Cheng Kung University, Taiwan

National Tsing Hua University, Taiwan

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Published by

Pan Stanford Publishing Pte. Ltd. Penthouse Level, Suntec Tower 3 8 Temasek Boulevard

Singapore 038988

Email: [email protected] Web: www.panstanford.com

British Library Cataloguing-in-Publication Data

A catalogue record for this book is available from the British Library.

NANOCOMPUTING

Computational Physics for Nanoscience and Nanotechnology

All rights reserved. This book, or parts thereof, may not be reproduced in any form or by any means, electronic or mechanical, including photocopying, recording or any information storage and retrieval system now known or to be invented, without written permission from the Publisher.

For photocopying of material in this volume, please pay a copying fee through the Copyright Clearance Center, Inc., 222 Rosewood Drive, Danvers, MA 01923, USA. In this case permission to photocopy is not required from the publisher.

ISBN 978-981-4241-26-7 (Hardcover) ISBN 978-981-4241-27-4 (eBook)

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RPS Nano Computing “preface” 2008/10/5 vii

PREFACE

The contents of this book are based on the material of Nano Com-puting course I taught at National Tsing Hua University since 2004. Nanotechnology is catching attention and gaining importance in both academia and industry alike, and students are very much interested in this emerging topic. There is the need to have a coherent presentation on the related disciplines, namely, theoretical physics, computer sci-ence, applied mathematics, and engineering study. In considering the importance of the four technologies for the future, Nano Technology (NT), Biomedical Technology (BT), Information Technology (IT), and Ecology Technology (ET), the course is designed to give breadth on related subjects, but keep depth on computation and physics.

On the theoretical side, we cover the Mesoscopic Physics and Nonlinear Many Body Physics. On the computer science, Object Ori-ented Programming and Parallel Computing are incorporated. On the applied mathematics, Asymptology and Algorithm are reviewed. For the engineering training, some applications and MATLAB are pre-sented. Students are introduced to the multiscales and multisciences from this book, and are requested to solve all the problems by either MATLAB or C++.

The target audience for the book is students at the senior and graduate level. The emphasis of this book is to teach students to solve problems from the features and characteristics of the problem itself, and not from a presumed methodology or a predefined tool. It tries

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RPS Nano Computing “preface” 2008/10/5 viii

Preface

to avoid the students from falling into the mind frame of what the old saying, “If you are a hammer, everything else is a nail.” The rightful problem solving mentality is let the problem reveal where the solution might be, and study the clues to find the answers. Therefore, start from the asymptotic analysis once the problem is translated into a mathematical equation, and get all the hints possible even if a numerical solution is inevitable.

This book is organized as follows: It introduces the issues in nanoscience, reviews the mathematical tools both numerical and ana-lytical, and then applies the tools to more advanced problems through a repetition of the ideas and an increase in the level of sophistication so as to allow a deeper understanding of the physics and the prob-lem solving techniques. Finally, it applies the scientific knowledge for practical applications. The ultimate goal of this book is to pre-pare students with enough background to start working on a research dissertation in theoretical nanoscience.

James J. Y. Hsu March 2008

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RPS Nano Computing “preface” 2008/10/5 v

ACKNOWLEDGEMENTS

I would like to thank Professor T. L. Lin for suggesting the course title, and ESS faculty and students for giving me the opportunity to teach this course. The interaction with Professor C. H. Tsai’s Car-bon Nanotube group was most beneficial. Many insightful help from colleagues, post-doctors and students at both NCKU and NTHU are gratefully acknowledged. Some derivations and programs were aided by Yee Mou Kao, Young-Chung Hsue, Chun Hung Lin, Eugene Pogorelov, Chieh-Wen Lo, Ying-Chi Chung, Chi-Yeh Chen, Robert Weng, Wellin Yang, Lichung Ko, and Cheng Hao Wu. This book was proofread by Dr. Fay Sheu. I also thank my wife, Dr. Yen-Hwa Hsu, and my daughters, Ingrid and Jessica, for their support to let me concentrate on research in Taiwan for the past few years.

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RPS Nano Computing “preface” 2008/10/5 ix

NANOCOMPUTING. Computational Physics for Nanoscience and Nanotechnology

NANOCOMPUTING

Computational Physics for

NANOCOMPUTING

Computational Physics for

Nanoscience and Nanotechnology

James J Y Hsu

PREFACE

ACKNOWLEDGEMENTS

CONTENTS