Dresden 2014 – scientific programme

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DY: Fachverband Dynamik und Statistische Physik

DY 4: Anomalous Diffusion

DY 4.2: Talk

Monday, March 31, 2014, 09:45–10:00, ZEU 146

Predicting and triggering anomalous Movements in Molecular Diffusion — •Sarah Hallerberg¹ and Astrid S. de Wijn² — ¹Network Dynamics, Max Planck Institute for Dynamics and Self-Organization (MPIDS), 37077 Göttingen, Germany — ²Department of Physics, Stockholm University, 106 91 Stockholm, Sweden

Diffusion can be strongly affected by the appearance of ballistic trajectories (jumps) as well as subdiffusive sticking trajectories (sticks). Using statistical inference techniques, we investigate the appearance of jumps and sticks in molecular-dynamics simulations of diffusion in a prototype system, a benzene molecule on a graphite substrate. We find that specific fluctuations in certain, but not all, internal degrees of freedom of the molecule can be linked to the occurrence of either jumps or sticks. Furthermore, we show that by changing the prevalence of these predictors with an outside influence, the diffusion of the molecule can be controlled. The approach presented in this proof of concept study is very generic, and can be applied to larger and more complex molecules. Additionally, the predictor variables can be chosen in a general way so as to be accessible in experiments.