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In this article, we introduce recent activities of multiscale polymer modeling aimed for material design in industry. To design the polymer material with expected properties, we need to predict polyme...r structure, and study the relation between the structure and properties. However, polymer structure is hierarchical, and has a wide range of length scale and time scale. Thus, multiscale and hierarchical modeling are necessary to apply computational simulation to polymer material design. OCTA had been developed for such a hierarchical polymer modeling. OCTA includes several simulation programs, which are based on different physical model, and focus on different length scale and time scale. Some studies of hierarchical modeling of polymer have been conducted using OCTA. We describe an overview of OCTA, and an example of the study of the structure and mechanical properties of the interface of polymer blends.続きを見る
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1.Introduction 2.Overview of OCTA 3.Example of hierarchical modeling 4.Summary and current problems to be solved
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