Computer Simulation of Polymeric Materials

Applications of the OCTA System

  • Japan Association for ┬áChemical Innovation

Table of contents

  1. Front Matter
    Pages i-ix
  2. Introduction of Computer Simulation of Polymeric Materials

    1. Front Matter
      Pages 1-1
    2. Takeshi Aoyagi
      Pages 3-4
    3. Takeshi Aoyagi
      Pages 5-12
  3. OCTA: Mesoscale Polymer Simulation System

    1. Front Matter
      Pages 13-13
    2. Jun-ichi Takimoto, Takeshi Aoyagi
      Pages 15-27
    3. Takashi Honda
      Pages 67-100
    4. Yuichi Masubuchi
      Pages 101-127
    5. Taku Ozawa
      Pages 129-147
    6. Ryoichi Yamamoto, John Jairo Molina
      Pages 149-167
  4. Examples of the Application of OCTA

    1. Front Matter
      Pages 169-169
    2. Naoki Kobayashi
      Pages 171-177
    3. Takashi Yamamoto
      Pages 179-188
    4. Naoki Kobayashi
      Pages 189-199
    5. Taku Ozawa
      Pages 201-210
    6. Kenta Chaki, Taku Ozawa
      Pages 211-219
    7. Taku Ozawa, Hiroya Nitta
      Pages 221-228
    8. Hiroshi Shima
      Pages 229-248
    9. Takeshi Aoyagi
      Pages 249-267
    10. Hiroshi Morita
      Pages 269-281
    11. Shigeru Yao
      Pages 283-289
    12. Hiroshi Morita
      Pages 291-296
    13. Hiroshi Morita
      Pages 297-304
    14. Takashi Yamamoto
      Pages 305-313
    15. Hiroki Kubo
      Pages 327-335
    16. Hiroki Kubo
      Pages 337-345
    17. Satoru Yamamoto, Taku Ozawa, Kosuke Ohata
      Pages 347-358
    18. Satoru Yamamoto, Taku Ozawa
      Pages 359-368
    19. Satoru Yamamoto, Taku Ozawa
      Pages 369-377
    20. Makoto Wakabayashi
      Pages 379-387
    21. Hiroshi Morita
      Pages 389-396
  5. Back Matter
    Pages 397-400

About this book


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.


Polymer simulation Coarse-grained model Mesoscale simulation Multiscale simulation Soft material simulation

Editors and affiliations

  • Japan Association for ┬áChemical Innovation
    • 1
  1. 1.TokyoJapan

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