IUTAM Symposium on Modelling Nanomaterials and Nanosystems Proceedin
Recent interest in nanotechnology is challenging the community to analyse, develop and design nanometer to micrometer-sized devices for applications in new generations of computer, electronics, photonics and drug delivery systems. To successfully design a
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IUTAM BOOKSERIES Volume 13 Series Editors G.M.L. Gladwell, University of Waterloo, Waterloo, Ontario, Canada R. Moreau, INPG, Grenoble, France Editorial Board J. Engelbrecht, Institute of Cybernetics, Tallinn, Estonia L.B. Freund, Brown University, Providence, USA A. Kluwick, Technische Universität, Vienna, Austria H.K. Moffatt, University of Cambridge, Cambridge, UK N. Olhoff Aalborg University, Aalborg, Denmark K. Tsutomu, IIDS, Tokyo, Japan D. van Campen, Technical University Eindhoven, Eindhoven, The Netherlands Z. Zheng, Chinese Academy of Sciences, Beijing, China
Aims and Scope of the Series The IUTAM Bookseries publishes the proceedings of IUTAM symposia under the auspices of the IUTAM Board.
For other titles published in this series, go to www.springer.com/series/7695
R. Pyrz • J.C. Rauhe Editors
IUTAM Symposium on Modelling Nanomaterials and Nanosystems Proceedings of the IUTAM Symposium held in Aalborg, Denmark, 19–22 May 2008
R. Pyrz Department of Mechanical Engineering Aalborg University Aalborg, Denmark
ISBN: 978-1-4020-9556-6
J.C. Rauhe Department of Mechanical Engineering Aalborg University Aalborg, Denmark
e-ISBN: 978-1-4020-9557-3
Library of Congress Control Number: 2008941672 © Springer Science+Business Media, B.V. 2009 No part of this work may be reproduced, stored in a retrieval system, or transmitted in any form or by any means, electronic, mechanical, photocopying, microfilming, recording or otherwise, without written permission from the Publisher, with the exception of any material supplied specifically for the purpose of being entered and executed on a computer system, for exclusive use by the purchaser of the work. Printed on acid-free paper 987654321 springer.com
Table of Contents
Preface
ix
Multiscale Failure Modeling: From Atomic Bonds to Hyperelasticity with Softening K.Y. Volokh
1
Crack Initiation, Kinking and Nanoscale Damage in Silica Glass: Multimillion-Atom Molecular Dynamics Simulation Y.C. Chen, K. Nomura, Z. Lu, R. Kalia, A. Nakano and P. Vashishta
13
Multiscale Modelling of Layered-Silicate/PET Nanocomposites during Solid-State Processing Ł. Figiel, F.P.E. Dunne and C.P. Buckley
19
Modelling Transient Heat Conduction at Multiple Length and Time Scales: A Coupled Non-Equilibrium Molecular Dynamics/Continuum Approach K. Jolley and S.P.A. Gill
27
Multiscale Modeling of Amorphous Materials with Adaptivity V.B.C. Tan, M. Deng, T.E. Tay and K.M. Lim
37
Thermodynamically-Consistent Multiscale Constitutive Modeling of Glassy Polymer Materials P.K. Valavala and G.M. Odegard
43
Effective Wall Thickness of Single-Walled Carbon Nanotubes for Multiscale Analysis: The Problem and a Possible Solution L.C. Zhang and C.Y. Wang
53
v
vi
Table of Contents
Discrete-Continuum Transition in Modelling Nanomaterials R. Pyrz and B. Bochenek Looking beyond Limitations of Diffraction Methods of Structural Analysis of Nanocrystalline Materials B. Palosz, E. Grzanka, S. Gierlotka, M. Wojdyr, W. Palosz, T. Proffen, R. Rich and S. Stelmakh Multiscale Modelling of Mechanical
