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演 題 「からみ合い高分子のダイナミクス: 単一鎖と比較した多重鎖のシミュレーション」
日 時 2012年09月28日(金) 16:00 より 17:00 まで
講演者 Dr. Sathish K. Sukumaran (山形大学大学院理工学研究科・助教)
場 所

計算センター200号室

概 要

Dynamics of entangled polymer chains spans a vast range of length and time scales. The whole range of length and time scales can contribute to macroscopic properties in both the solid and the liquid states. Further the influence of the structure and dynamics at different scales on the macroscopic properties can be dramatically different. To systematically understand the influence of the microscopic chain dynamics on the macroscopic flow phenomena, one strategy is to use a hierarchy of models with each model in the hierarchy tailored to the description of phenomena at a particular range of length and time. Once we establish the relationship between the models, we can hope to systematically link the microscopic chain dynamics to macroscopic flow phenomena. One major hindrance in this path is the lack of understanding of the relationship between the multichain and the single chain models. In this context, I will present some highlights from our efforts over several years to understand multichain and single chain descriptions of entangled polymer dynamics and the connections between these descriptions. First I will provide a brief survey of the landscape of entangled polymer dynamics including the relevant length and size scales and the associated models. I will then introduce a technique that is capable of fast and accurate calculation of correlation functions while at the same time demanding only meagre machine memory resources. I will then present, in some detail, a couple of examples of using simulations to elucidate the relationship between multichain and single chain models. Finally, if time permits, I will discuss one or two examples of how using a combination of multichain and single chain models not only enables one to pose fresh questions, raise intriguing foundational issues but also to shed new light on them.

References:
[1] J. Ramírez, S. K. Sukumaran, B. Vorselaars, and A. E. Likhtman, The Journal of Chemical Physics 133, 154103 (2010).
[2] S. K. Sukumaran and A. E. Likhtman, Macromolecules 42, 4300–4309 (2009).
[3] A. E. Likhtman, S. K. Sukumaran, and J. Ramirez, Macromolecules 40, 6748–6757 (2007).
[4] S. K. Sukumaran, G. S. Grest, K. Kremer, and R. Everaers, Journal of Polymer Science Part B: Polymer Physics 43, 917–933 (2005). [5] R. Everaers, S. K. Sukumaran, G. S. Grest, C. Svaneborg, A. Sivasubramanian, and K. Kremer, Science 303, 823 –826 (2004).

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