Computer Simulation of Polymeric Materials

Part I. Introduction of Computer Simulation of Polymeric Materials

1. Expected Target of Polymer Simulation
Takeshi Aoyagi

2. Coarse-Grained Simulation
Takeshi Aoyagi

Part II. OCTA: Mesoscale Polymer Simulation System

3. Overview of OCTA
Jun-ichi Takimoto, Takeshi Aoyagi

4. COGNAC: Coarse-Grained Molecular Dynamics Simulator
Takeshi Aoyagi

5. SUSHI: Density Functional Theory Simulator
Takashi Honda

6. PASTA and NAPLES: Rheology Simulator
Yuichi Masubuchi

7. MUFFIN: Multiphase Simulator
Taku Ozawa

8. KAPSEL: Colloidal Dispersion Simulator
Ryoichi Yamamoto, John Jairo Molina

Part III. Examples of the Application of OCTA

9. Melt Viscoelasticity
Naoki Kobayashi

10. Crystallization of Polymers
Takashi Yamamoto

11. Polymer Blends: Bulk Property
Naoki Kobayashi

12. Polymer Blends: Interfacial Strength
Taku Ozawa

13. Composites: Morphology
Kenta Chaki, Taku Ozawa

14. Composites: Interfacial Strength
Taku Ozawa, Hiroya Nitta

15. Cross-Linked Rubber
Hiroshi Shima

16. Thermoplastic Elastomers
Takeshi Aoyagi

17. Filler-Filled Rubbers
Hiroshi Morita

18. Structures of the Surface and Interface
Shigeru Yao

19. Glass Transition at the Surface and Interface
Hiroshi Morita

20. Evaporation from Polymer Solution
Hiroshi Morita

21. Crystallization in Thin Films of N-Alkanes
Takashi Yamamoto

22. Improvement of Adhesive Properties Through the Segregation of Oligomers and an Investigation of the Mechanism Using SUSHI Simulation
Hiroshi Sasaki

23. Adsorption of Polyelectrolytes
Hiroki Kubo

24. Adsorbed Structures and Surface Forces
Hiroki Kubo

25. Analysis of Relaxation Mechanism of Thread-Like Micelle Solution
Satoru Yamamoto, Taku Ozawa, Kosuke Ohata

26. Vesicle Formation
Satoru Yamamoto, Taku Ozawa

27. Electrolyte Membranes
Satoru Yamamoto, Taku Ozawa

28. Orientation Birefringence
Makoto Wakabayashi

29. Lithography
Hiroshi Morita

Avainsanat: Chemistry, Computer Applications in Chemistry, Polymer Sciences, Surfaces and Interfaces, Thin Films