Parts | Days | Selection | Search | Updates | Downloads | Help
DY: Fachverband Dynamik und Statistische Physik
DY 56: Poster - Statistical Physics
DY 56.16: Poster
Thursday, March 19, 2015, 16:00–18:00, Poster A
Markov state modeling of polymers in shear flow — •Fabian Knoch and Thomas Speck — Institut für Physik, Johannes Gutenberg-Universität Mainz, Staudinger Weg 7, 55099 Mainz, Germany
The dynamical properties of polymers driven by shear flow have been investigated intensively.
In shear flows, polymers show a coil to globular transition.
This switch-like dynamics is not only relevant in the context of biology (proteins flowing through blood vessels are also exposed to shear flows)
but also from the point of non-equilibrium statistical dynamics.
We study numerically a generic polymer model [1]. Instead of performing constant shear rate simulations,
we investigate the dynamics subjected to constant interparticle stress σconst.
Similar to the constant shear rate case, the constant stress simulations also show a switch-like dynamics depending on σconst.
Using stochastical thermodynamics, we develop a new method to construct dynamical Markov state models [2] for polymers in shear flow.
[1] Alexander-Katz, A. and Schneider, M. F. and Schneider, S. W. and Wixforth, A. and Netz, R. R., PRL 97(13), 2006
[2] Noé, F. and Horenko, I. and Schütte, C. and Smith, J. C., J. Chem. Phys. 126(15), 2007