1 research outputs found
Pores in Bilayer Membranes of Amphiphilic Molecules: Coarse-Grained Molecular Dynamics Simulations Compared with Simple Mesoscopic Models
We investigate pores in fluid membranes by molecular dynamics simulations of
an amphiphile-solvent mixture, using a molecular coarse-grained model. The
amphiphilic membranes self-assemble into a lamellar stack of amphiphilic
bilayers separated by solvent layers. We focus on the particular case of
tension less membranes, in which pores spontaneously appear because of thermal
fluctuations. Their spatial distribution is similar to that of a random set of
repulsive hard discs. The size and shape distribution of individual pores can
be described satisfactorily by a simple mesoscopic model, which accounts only
for a pore independent core energy and a line tension penalty at the pore
edges. In particular, the pores are not circular: their shapes are fractal and
have the same characteristics as those of two dimensional ring polymers.
Finally, we study the size-fluctuation dynamics of the pores, and compare the
time evolution of their contour length to a random walk in a linear potential