Berlin 2008 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 19: SYMPOSIUM Driven Soft Matter IV

CPP 19.1: Vortrag

Mittwoch, 27. Februar 2008, 14:00–14:15, C 130

Simulating rare events in nonequilibrium systems: nucleation in a driven Ising system — •Rosalind Allen — SUPA School of Physics, Edinburgh University, Edinburgh, UK

I will describe the application of the recently developed Forward Flux Sampling method [1-4] for simulating rare events to a nonequilibrium transition - nucleation in a sheared two dimensional Ising system. I will describe an analysis of the transition state ensemble to understand the reaction mechanism and rationalise the observed nonmonotonic dependence of the nucleation rate on the shear rate.

[1] Sampling rare switching events in biochemical networks. R. J. Allen, P. B. Warren and P. R. ten Wolde, Phys. Rev. Lett. 94, 018104 (2005)

[2] Simulating rare events in equilibrium or nonequilibrium stochastic systems. R. J. Allen, D. Frenkel and P. R. ten Wolde, J. Chem. Phys. 124, 024102 (2006)

[3] Forward flux sampling-type schemes for simulating rare events: Efficiency analysis. R. J. Allen, D. Frenkel and P. R. ten Wolde, J. Chem. Phys. 124, 194111 (2006)

[4] Computing stationary distributions in equilibrium and nonequilibrium systems with forward flux sampling. C. Valeriani, R. J. Allen, M. Morelli, D. Frenkel and P. R. ten Wolde, J. Chem. Phys. 127, 114109 (2007)