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Analytical correlation functions for motion through diffusivity landscapes

Roosen-Runge, Felix LU ; Bicout, Dominique J. and Barrat, Jean Louis (2016) In Journal of Chemical Physics 144(20).
Abstract

Diffusion of a particle through an energy and diffusivity landscape is a very general phenomenon in numerous systems of soft and condensed matter. On the one hand, theoretical frameworks such as Langevin and Fokker-Planck equations present valuable accounts to understand these motions in great detail, and numerous studies have exploited these approaches. On the other hand, analytical solutions for correlation functions, as, e.g., desired by experimentalists for data fitting, are only available for special cases. We explore the possibility to use different theoretical methods in the specific picture of time-dependent switching between diffusive states to derive analytical functions that allow to link experimental and simulation results... (More)

Diffusion of a particle through an energy and diffusivity landscape is a very general phenomenon in numerous systems of soft and condensed matter. On the one hand, theoretical frameworks such as Langevin and Fokker-Planck equations present valuable accounts to understand these motions in great detail, and numerous studies have exploited these approaches. On the other hand, analytical solutions for correlation functions, as, e.g., desired by experimentalists for data fitting, are only available for special cases. We explore the possibility to use different theoretical methods in the specific picture of time-dependent switching between diffusive states to derive analytical functions that allow to link experimental and simulation results to theoretical calculations. In particular, we present a closed formula for diffusion switching between two states, as well as a general recipe of how to generalize the formula to multiple states.

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Please use this url to cite or link to this publication:
author
; and
publishing date
type
Contribution to journal
publication status
published
in
Journal of Chemical Physics
volume
144
issue
20
article number
204109
publisher
American Institute of Physics (AIP)
external identifiers
  • scopus:84971571157
ISSN
0021-9606
DOI
10.1063/1.4950889
language
English
LU publication?
no
id
285e4e67-2328-4b83-a8c7-d290f202b211
date added to LUP
2018-12-17 09:40:00
date last changed
2022-03-02 18:30:39
@article{285e4e67-2328-4b83-a8c7-d290f202b211,
  abstract     = {{<p>Diffusion of a particle through an energy and diffusivity landscape is a very general phenomenon in numerous systems of soft and condensed matter. On the one hand, theoretical frameworks such as Langevin and Fokker-Planck equations present valuable accounts to understand these motions in great detail, and numerous studies have exploited these approaches. On the other hand, analytical solutions for correlation functions, as, e.g., desired by experimentalists for data fitting, are only available for special cases. We explore the possibility to use different theoretical methods in the specific picture of time-dependent switching between diffusive states to derive analytical functions that allow to link experimental and simulation results to theoretical calculations. In particular, we present a closed formula for diffusion switching between two states, as well as a general recipe of how to generalize the formula to multiple states.</p>}},
  author       = {{Roosen-Runge, Felix and Bicout, Dominique J. and Barrat, Jean Louis}},
  issn         = {{0021-9606}},
  language     = {{eng}},
  month        = {{05}},
  number       = {{20}},
  publisher    = {{American Institute of Physics (AIP)}},
  series       = {{Journal of Chemical Physics}},
  title        = {{Analytical correlation functions for motion through diffusivity landscapes}},
  url          = {{http://dx.doi.org/10.1063/1.4950889}},
  doi          = {{10.1063/1.4950889}},
  volume       = {{144}},
  year         = {{2016}},
}