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Diffusion coefficients of elastic macromolecules

Published online by Cambridge University Press:  13 September 2019

Bogdan Cichocki
Affiliation:
Institute of Theoretical Physics, Faculty of Physics, University of Warsaw, Pasteura 5, 02-093 Warsaw, Poland
Marcin Rubin
Affiliation:
Institute of Theoretical Physics, Faculty of Physics, University of Warsaw, Pasteura 5, 02-093 Warsaw, Poland
Anna Niedzwiecka
Affiliation:
Institute of Physics, Polish Academy of Sciences, Aleja Lotnikow 32/46, PL-02668 Warsaw, Poland
Piotr Szymczak*
Affiliation:
Institute of Theoretical Physics, Faculty of Physics, University of Warsaw, Pasteura 5, 02-093 Warsaw, Poland
*
Email address for correspondence: piotrek@fuw.edu.pl

Abstract

In elastic macromolecules, the value of the short-time diffusion coefficient depends on the choice of the point the displacement of which is tracked. On the other hand, the experimentally more relevant long-time diffusion coefficient is independent of the reference point, but its estimation usually requires computationally expensive Brownian dynamics simulations. Here we show how to obtain a precise estimate of the long-time diffusion coefficient of elastic macromolecules in a fast and robust manner, without invoking Brownian dynamics.

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Type
JFM Rapids
Copyright
© 2019 Cambridge University Press 

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