Volume 69, Number 5, March 2005
|Page(s)||839 - 845|
|Section||Interdisciplinary physics and related areas of science and technology|
|Published online||04 February 2005|
Monte Carlo calculations of the free-energy landscape of vesicle formation and growth
Department of Chemistry, Emory University - Atlanta, GA, 30322, USA
Accepted: 7 January 2005
A flat-histogram Monte Carlo sampling method is used to calculate the free-energy landscape of a simple semi-flexible triangulated membrane model as a function of the number of vertices and the number of free edges. Results yield the equilibrium ratio of open (disk) and closed (vesicle) states, the free-energy barrier between these states, and the scaling of vesicle free energy with size N in the range from 6 to 200 vertices. Deviations from the predictions of a simple model for the disk-vesicle transition are found to result from the fluctuations of the edge. Vesicle free energies are fit to the form , with coefficient for flexible membranes (consistent with self-avoiding branched polymer statistics) and for semiflexible membranes.
PACS: 87.16.Dg – Membranes, bilayers, and vesicles / 87.15.Aa – Theory and modeling; computer simulation
© EDP Sciences, 2005
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