Simulated bilayer from floppy to hole and topological fluctuations

Abstract

Simulations of a bilayer in a liquid solvent in the full range of areas from the floppy to the extended state also show the hole/tunnel spontaneous formation. Whether this change of topology is preceded by topological fluctuations of the Gaussian curvature $K(x,y)$ is an open question. Probability distributions of Gaussian curvature are transformed into those of the ordered inverse radii; these new shapes show a gradual change along the isotherm. The model of Max-Planck group with 5 beads is used, amended to represent amphiphiles in the spirit of the "coarse-grained" or "Martini" force field.