Computer Simulation of Polymeric Materials

Expected Target of Polymer Simulation.- Coarse-Grained Simulation.- Overview of OCTA.- COGNAC: Coarse-grained Molecular Dynamics Simulator.- SUSHI: Density Functional Theory Simulator.- PASTA & NAPLES: Rheology Simulator.- MUFFIN: Multi Phase Simulator.- KAPSEL: Colloidal Dispersion Simulator.- Melt Viscoelasticity.- Crystallization of Polymers.- Polymer Blends: Bulk Property.- Polymer Blends: Interfacial Strength.- Composites: Morphology.- Composites: Interfacial Strength.- Cross-linked Rubber.- Thermoplastic Elastomers.- Filler-filled Rubbers.- Structures of the Surface and Interface.- Glass Transition at the Surface and Interface.- Evaporation from Polymer Solution.- Crystallization in Thin Films of n-alkanes.- Improvement of Adhesive Properties utilizing Segregation of Oligomers and Investigation of Its Mechanism by SUSHI Simulation.- Adsorption of Polyelectrolytes.- Adsorbed Structures and Surface Forces.- Analysis of Relaxation Mechanism of Thread-like Micelle Solution.- Vesicle Formation.- Electrolyte Membranes.- Orientation Birefringence.- Lithography.

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• Ciência dos materiais
• Química dos polímeros
• Química