Fluctuations and Defects in Lamellar Stacks of Amphiphilic Bilayers

Details Fluctuations and Defects in Lamellar Stacks of Amphiphilic Bilayers Fluctuations and Defects in Lamellar Stacks of Amphiphilic Bilayers

2005-01-05

arxiv.org/abs/cond-mat/0501073v1

Physics

Condensed Matter

Soft Condensed Matter

to appear in Computer Physics Communications (2005)

Scientific paper

10.1016/j.cpc.2005.03.023

We review recent molecular dynamics simulations of thermally activated undulations and defects in the lamellar $L_\alpha$ phase of a binary amphiphile-solvent mixture, using an idealized molecular coarse-grained model: Solvent particles are represented by beads, and amphiphiles by bead-and-spring tetramers. We find that our results are in excellent agreement with the predictions of simple mesoscopic theories: An effective interface model for the undulations, and a line tension model for the (pore) defects. We calculate the binding rigidity and the compressibility modulus of the lamellar stack as well as the line tension of the pore rim. Finally, we discuss implications for polymer-membrane systems.

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