Modeling of Orientational Ordering in Lipid Monolayers

M.Kreer, M.Scheringer, K.Binder, K.Kremer, R.Hilfer

in: Computer Simulation Studies in Condensed Matter Physics IV
edited by: D.P. Landau and K.K. Mon and H.B. Schüttler
Springer Verlag, Berlin, 159 (1993)
ISBN 978-3-642-84878-0

submitted on
Monday, February 18, 1991

Lipid monolayers at high densities are modelled as rigid rods grafted to an interface at the sites of a regular lattice. The transition between the state where the rods are uniformly tilted to a disordered state with no (average) tilt is studied by computer simulation methods. For the one-dimensional model, the molecular dynamics approach is found much less suitable to equilibrate the system rather than Monte Carlo methods. Both in d=2 discretized versions of Monte Carlo codes are much more efficient than continuum Monte Carlo methods, in spite of huge storage requirements. While in d=l the transition occurs at temperature T=0 via the spontaneous creation of solitons, at d=2 a finite temperature first order transition occurs.

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