TY  - JOUR
A1  - Godec, Aljaz
A1  - Bauer, Maximilian
A1  - Metzler, Ralf
T1  - Collective dynamics effect transient subdiffusion of inert tracers in flexible gel networks
JF  - New journal of physics : the open-access journal for physics
N2  - Based on extensive Brownian dynamics simulations we study the thermal motion of a tracer bead in a cross-linked, flexible gel in the limit when the tracer particle size is comparable to or even larger than the equilibrium mesh size of the gel. The analysis of long individual trajectories of the tracer demonstrates the existence of pronounced transient anomalous diffusion. From the time averaged mean squared displacement and the time averaged van Hove correlation functions we elucidate the many-body origin of the non-Brownian tracer bead dynamics. Our results shed new light onto the ongoing debate over the physical origin of steric tracer interactions with structured environments.
KW  - anomalous diffusion
KW  - gel network
KW  - van Hove correlation
Y1  - 2014
U6  - https://doi.org/10.1088/1367-2630/16/9/092002
SN  - 1367-2630
VL  - 16
PB  - IOP Publ. Ltd.
CY  - Bristol
ER  - 
TY  - JOUR
A1  - Bauer, Maximilian
A1  - Godec, Aljaž
A1  - Metzler, Ralf
T1  - Diffusion of finite-size particles in two-dimensional channels with random wall configurations
JF  - Physical chemistry, chemical physics : PCCP ; a journal of European chemical societies
N2  - Diffusion of chemicals or tracer molecules through complex systems containing irregularly shaped channels is important in many applications. Most theoretical studies based on the famed Fick–Jacobs equation focus on the idealised case of infinitely small particles and reflecting boundaries. In this study we use numerical simulations to consider the transport of finite-size particles through asymmetrical two-dimensional channels. Additionally, we examine transient binding of the molecules to the channel walls by applying sticky boundary conditions. We consider an ensemble of particles diffusing in independent channels, which are characterised by common structural parameters. We compare our results for the long-time effective diffusion coefficient with a recent theoretical formula obtained by Dagdug and Pineda [J. Chem. Phys., 2012, 137, 024107].
KW  - anomalous diffusion
KW  - fractional dynamics
KW  - transport
KW  - nonergodicity
KW  - coefficient
Y1  - 2014
U6  - https://doi.org/10.1039/C3CP55160A
SN  - 1463-9084
SN  - 1463-9076
VL  - 16
IS  - 13
SP  - 6118
EP  - 6128
PB  - RSC Publications
CY  - Cambridge
ER  - 
TY  - GEN
A1  - Bauer, Maximilian
A1  - Godec, Aljaž
A1  - Metzler, Ralf
T1  - Diffusion of finite-size particles in two-dimensional channels with random wall configurations
N2  - Diffusion of chemicals or tracer molecules through complex systems containing irregularly shaped channels is important in many applications. Most theoretical studies based on the famed Fick–Jacobs equation focus on the idealised case of infinitely small particles and reflecting boundaries. In this study we use numerical simulations to consider the transport of finite-size particles through asymmetrical two-dimensional channels. Additionally, we examine transient binding of the molecules to the channel walls by applying sticky boundary conditions. We consider an ensemble of particles diffusing in independent channels, which are characterised by common structural parameters. We compare our results for the long-time effective diffusion coefficient with a recent theoretical formula obtained by Dagdug and Pineda [J. Chem. Phys., 2012, 137, 024107].
T3  - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - paper 177 
KW  - anomalous diffusion
KW  - fractional dynamics
KW  - transport
KW  - nonergodicity
KW  - coefficient
Y1  - 2014
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-76199
ER  -