Computer Simulation of Polymeric Materials Applications of the OCTA
This book is the first to introduce a mesoscale polymer simulation system called OCTA. With its name derived from "Open Computational Tool for Advanced material technology," OCTA is a unique software product, available without charge, that was developed i
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mputer Simulation of Polymeric Materials Applications of the OCTA System
Computer Simulation of Polymeric Materials
Japan Association for Chemical Innovation Editor
Computer Simulation of Polymeric Materials Applications of the OCTA System
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Editor Japan Association for Chemical Innovation Tokyo, Japan
Additional material to this book can be downloaded from http://extras.springer.com. Original Japanese language edition published by The Chemical Daily Co., Ltd. Kobunshi Zairyo Shimyureshon Copyright ©2014, The Chemical Daily Co., Ltd. All Rights reserved. ISBN 978-981-10-0814-6 ISBN 978-981-10-0815-3 (eBook) DOI 10.1007/978-981-10-0815-3 Library of Congress Control Number: 2016945720 © Springer Science+Business Media Singapore 2016 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. 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. The publisher, the authors and the editors are safe to assume that the advice and information in this book are believed to be true and accurate at the date of publication. Neither the publisher nor the authors or the editors give a warranty, express or implied, with respect to the material contained herein or for any errors or omissions that may have been made. Printed on acid-free paper This Springer imprint is published by Springer Nature The registered company is Springer Science+Business Media Singapore Pte Ltd.
Preface
OCTA is software for simulating the behavior of polymeric materials in liquid, rubbery, and solid states. It was developed by a project of the Japanese Ministry of Economy, Trade and Industry. The aim of the project was to develop software that would be useful for the research and development of polymeric materials. Polymeric materials are complex. Their development requires understanding and control of polymers at various-length scales, ranging from the atomistic scale (e.g., the structure and sequential regularity of functional groups) to the macromolecular scale (e.g., the degree of polymerization, structures of branching, and crosslinks), and the mesoscopic scale (e.g., chain orientation, crystalline, and other morphological structures). OCTA was developed to be a useful tool for handling such diverse problems and thus has two distinctive features. One is that OCTA has specific simulation engines that can deal with problems characteristic of polymers, such as coarse-grained molecular dynamics, selfconsistent field dynamics
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