| 초록 |
Understanding the rheological and structural behaviors of polymeric materials in flowing systems is important in practical polymer processing and for improving fundamental knowledge of polymer rheology. Owing to substantial improvement of experimental techniques, there has been much progress in this field. However, full understanding of fundamental issues in polymer science still has been missing. By observing these fundamental issues at microscopic level, the molecular origins can be revealed. Various simulation techniques offers a complementary perspective of observing molecular origin. In this talk, I will present our recent simulation techniques such as nonequilibrium molecular dynamics (NEMD), Monte Carlo (MC), and Brownian dynamics (BD) methods to elucidate dynamical and structural properties of complex polymeric materials in bulk and at interfaces. In addition, entanglement life time are discussed via tracking each entanglement using newly developed topological analysis methods. |
