Bond-angle-potential-dependent dissipative particle dynamics simulation and lipid inverted phase

Abstract

A bond-angle-potential-related dissipative particle dynamics (DPD) simulation method was established for the first time to simulate the inverted phase of a lipid. We observed that the correct elastic properties of the membrane in the DPD model can be reproduced by introducing a proper bond angle potential. Using this modified model, we succeed for the first time in producing spherical micellar, rodlike micellar, disklike micellar, and three types of inverted phases and phase sequences with different architecture. The results are in excellent agreement with the experiments and theory. The model can be applied for the simulation of biomembrane fusion and other dynamical processes associated with lipid phase behavior.