Regensburg 2010 – scientific programme
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DY: Fachverband Dynamik und Statistische Physik
DY 6: Poster Session I
DY 6.51: Poster
Monday, March 22, 2010, 16:00–18:00, Poster B2
Multiscale modeling of nanostructured polymer materials using field-theoretic methodologies — •Stephan Baeurle1, Takao Usami2, and Andrei Gusev3 — 1Institut für Physikalische und Theoretische Chemie, Universität Regensburg, Universitätstr. 31, 93053 Regensburg, Germany — 2Polymer Design Laboratory, Mitsubishi Chemical Group Science and Technology Research Center, Yokkaichi, Mie 510-0885, Japan — 3Department of Materials, Institute of Polymers, ETH, CH-8093 Zurich, Switzerland
Understanding the chemistry and physics of polymer systems challenges scientists from a wide spectrum of research areas, ranging from polymer science to molecular electronic structure theory. One of the characteristic features of polymer systems is that their physics involve a multitude of different length and time scales, which generally render the determination of their structure and physical properties on a detailed level computationally exhaustive. To overcome this difficulty, novel field-theoretic methodologies based on the mean field approximation have been developed in the past decade for materials engineering, and have proven to deliver reliable results in the calculation of mesoscopic models of polymer melts and highly concentrated polymer solutions. In this presentation we demonstrate that the field-theoretic approach is not only an effective formalism for treating highly concentrated polymer systems on the mesoscopic level of description, but that it is also a promising theoretical tool, to solve the multiscale problems arising in the calculation of nanostructured polymer materials.