A geometrical approach to computing free energy landscapes from short-ranged potentials

DOI10.1073/PNAS.1211720110arXiv1210.5451WikidataQ36512256 ScholiaQ36512256MaRDI QIDQ6236500FDOQ6236500

Authors: Miranda Holmes-Cerfon, Steven J. Gortler, Michael P. Brenner 

Publication date: 19 October 2012

Abstract: Particles interacting with short-ranged potentials have attracted increasing interest, partly for their ability to model mesoscale systems such as colloids interacting via DNA or depletion. We consider the free energy landscape of such systems as the range of the potential goes to zero. In this limit, the landscape is entirely defined by geometrical manifolds, plus a single control parameter. These manifolds are fundamental objects that do not depend on the details of the interaction potential, and provide the starting point from which any quantity characterizing the system -- equilibrium or non-equilibrium -- can be computed for arbitrary potentials. To consider dynamical quantities we compute the asymptotic limit of the Fokker-Planck equation, and show that it becomes restricted to the low-dimensional manifolds connected by "sticky" boundary conditions. To illustrate our theory, we compute the low-dimensional manifolds for n<=8 identical particles, providing a complete description of the lowest-energy parts of the landscape including floppy modes with up to 2 internal degrees of freedom. The results can be directly tested on colloidal clusters. This limit is a novel approach for understanding energy landscapes, and our hope is that it can also provide insight into finite-range potentials.

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