Computer Simulation of Polymeric Materials
Applications of the OCTA System
Editors: Chemical Innovation, Japan Association for (Ed.)
Free Preview- Is the first published sourcebook on the OCTA system
- Introduces many practical examples from researchers in both academia and industry
- Includes detailed processes and tips on simulation that readers can apply to their own research projects
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- About this book
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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 in a project funded by Japanese government. OCTA contains a series of simulation programs focused on mesoscale simulation of the soft matter COGNAC, SUSHI, PASTA, NAPLES, MUFFIN, and KAPSEL. When mesoscale polymer simulation is performed, one may encounter many difficulties that this book will help to overcome. The book not only introduces the theoretical background and functions of each simulation engine, it also provides many examples of the practical applications of the OCTA system. Those examples include predicting mechanical properties of plastic and rubber, morphology formation of polymer blends and composites, the micelle structure of surfactants, and optical properties of polymer films. This volume is strongly recommended as a valuable resource for both academic and industrial researchers who work in polymer simulation.
- About the authors
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The Japan Association for Chemical Innovation (JACI), a public interest incorporated association, is composed of members from the chemical industry, user industries, academia, and leading national research institutions in Japan. This public interest corporation carries out activities with the aim of promoting various projects with highly public nature concerning chemical technology innovation.
- Table of contents (30 chapters)
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Expected Target of Polymer Simulation
Pages 3-4
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Coarse-Grained Simulation
Pages 5-12
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Overview of OCTA
Pages 15-27
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COGNAC: Coarse-Grained Molecular Dynamics Simulator
Pages 29-65
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SUSHI: Density Functional Theory Simulator
Pages 67-100
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Table of contents (30 chapters)
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Bibliographic Information
- Bibliographic Information
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- Book Title
- Computer Simulation of Polymeric Materials
- Book Subtitle
- Applications of the OCTA System
- Editors
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- Japan Association for Chemical Innovation
- Copyright
- 2016
- Publisher
- Springer Singapore
- Copyright Holder
- Springer Science+Business Media Singapore
- eBook ISBN
- 978-981-10-0815-3
- DOI
- 10.1007/978-981-10-0815-3
- Hardcover ISBN
- 978-981-10-0814-6
- Softcover ISBN
- 978-981-10-9259-6
- Edition Number
- 1
- Number of Pages
- IX, 400
- Number of Illustrations
- 64 b/w illustrations, 194 illustrations in colour
- Topics
