The biocompatible nature of lipid bilayer makes it appealing for wide applications including biosensor

biomimetic membrane for separation or reaction. Understanding lipid bilayer rupture is of fundamental importance for the design and application of lipid bilayer based devices. In the present study

a lipid bilayer membrane made by dipalmitoyl phosphatidylcholine (DPPC) and dipalmitoyl phosphoglycerol (DPPG) was used for the molecular dynamics simulation of the lipid bilayer rupture. A method for determining the rupture time and the critical surface tension was proposed

based on which

the effects of lipid bilayer composition on the lipid bilayer rupture were examined. It was shown that an increase in the negatively charged DPPG in the lipid bilayer postponed the rupture time

indicating a strengthened structural stability. On the other hand

the widened distribution of the rupture time indicated the heterogeneous nature of the lipid bilayer. A dynamic microscopic opposing forces model was proposed to describe the above mentioned lipid bilayer rupture under an unsteady surface tension. The model had reproduced the simulation results and thus offered theoretical tools for the design and optimization of the lipid bilayer based devices and processes.