Simulations of stable pores in membranes: System size dependence and line tension

Abstract

Amphiphilic bilayers with a pore were simulated using a coarse grained model. By stretching the bilayer to 70% beyond its equilibrium surface area, we established the phase diagram of pores, identifying regions where pores are stable, metastable, or unstable. A simple theoretical model is proposed to explain the phase diagram, and to calculate the critical and equilibrium relative stretches. Interestingly, these are found to scale with the inverse cubic root of the number of amphiphiles in the bilayer, thus explaining the order of magnitude difference between the simulated and the measured values. Three different methods are used to calculate a line tension coefficient of (3.5-4.0) x 10(-11) J/m, in good agreement with experimental data.