Fluctuation effects in ternary AB+A+B polymeric emulsions

We present a Monte Carlo approach to incorporating the effect of thermal fluctuations in field theories of polymeric fluids. This method is applied to a field-theoretic model of a ternary blend of AB diblock copolymers with A and B homopolymers. We find a shift in the line of order-disorder transitions from their mean-field values, as well as strong signatures of the existence of a bicontinuous microemulsion phase in the vicinity of the mean-field Lifshitz critical point. This is in qualitative agreement with a recent series of experiments conducted with various three-dimensional realizations of this model system. Further, we also compare our results and the performance of the presently proposed simulation method to that of an alternative method involving the integration of complex Langevin dynamical equations.Comment: minor changes, references adde

A generic model for lipid monolayers, bilayers, and membranes

We describe a simple coarse-grained model which is suited to study lipid layers and their phase transitions. Lipids are modeled by short semiflexible chains of beads with a solvophilic head and a solvophobic tail component. They are forced to self-assemble into bilayers by a computationally cheap `phantom solvent' environment. The model reproduces the most important phases and phase transitions of monolayers and bilayers. Technical issues such as Monte Carlo parallelization schemes are briefly discussed.Comment: 4 pages, 4 figures conference paper for the CCP 2006 (Gyeongju, Korea

Phase Behaviour of Amphiphilic Monolayers: Theory and Simulation

Coarse grained models of monolayers of amphiphiles (Langmuir monolayers) have been studied theoretically and by computer simulations. We discuss some of the insights obtained with this approach, and present new simulation results which show that idealised models can successfully reproduce essential aspects of the generic phase behaviour of Langmuir monolayers.Comment: To appear in J. Phys.: Cond. Matte

A Simple Computer Model for Liquid Lipid Bilayers

We present a simple coarse-grained bead-and-spring model for lipid bilayers. The system has been developed to reproduce the main (gel-liquid) transition of biological membranes on intermediate length scales of a couple of nanometres and is very efficient from a computational point of view. For the solvent environment, two different models are proposed. The first model forces the lipids to form bilayers by confining their heads in two parallel planes. In the second model, the bilayer is stabilised by a surrounding gas of "phantom" solvent beads, which do not interact with each other. This model takes only slightly more computing time than the first one, while retaining the full membrane flexibility. We calculate the liquid-gel phase boundaries for both models and find that they are very similar.Comment: 11 pages, 6 figure