The lipid chain (left) and its schematic representation as a rod (right). The lipid consists of four beads linked by elastic FENE bonds (solid lines) and straightened by elastic bonds (dashed lines). The first bead (dark blue) is hydrophilic. Three other beads are hydrophobic, the terminal hydrophobic bead is shown as light blue.
Membrane structures at three different temperatures: (a) k B T/ε = 0.4, (b) k B T/ε = 1.0 and (c) k B T/ε = 2.0. The rod representation is used to display lipids. The solvent particles are not shown.
Radial distribution functions of lipid head beads in the membrane at three different temperatures: (a) k B T/ε = 0.4 (dashed black line), (b) k B T/ε = 1.0 (thick blue line) and (c) k B T/ε = 2.0 (thin red line).
A cut through the simulation box showing the vertical structure of the bilayer and solvent particles at k B T/ε = 1.0.
Vertical density profiles for hydrophilic head beads (ρ h , thick black line), hydrophobic tail beads (ρ t , dashed blue line) and solvent particles (ρ s , thin red line) at three different temperatures: (a) k B T/ε = 0.4, (b) k B T/ε = 1.0 and (c) k B T/ε = 2.0. The scale is different for the solvent density profile.
Diffusion of lipids in the membrane. Log-log plots of the mean square displacements (MSD) of the center of mass of a lipid are shown as functions of time for (a) k B T/ε = 0.4, (b) k B T/ε = 1.0 and (c) k B T/ε = 2.0. The dashed and solid straight lines are linear fits for the subdiffusive and normal diffusive regimes, respectively.
Self-assembly of the lipid bilayer. Six configurations at time moments (a) 0 δt, (b) 6000 δt, (c) 18 000 δt, (d) 160 000 δt, (e) 246 400 δt and (f) 300 000 δt are shown. The initial state (a) corresponds to the uniform mixture of lipids and the solvent (enhanced online). [URL: http://dx.doi.org/10.1063/1.4736414.1]doi: 10.1063/1.4736414.1.
Dependence of the surface tension γ on the membrane area A. The first five data points were used to determine the membrane stretching modulus.
Power spectrum S(q) of membrane height fluctuations. The solid line is the best fit of the simulation data, using the theoretical dependence (Eq. (12) ).
Time dependence of the longitudinal (a) and transverse (b) velocity correlation functions for three different separations: x = 0 (solid lines), x = 2.5 (dashed lines), and x = 5 (dotted lines).
Longitudinal (circles) and transverse (squares) correlation functions G L (x) and G T (y). The solid and dashed lines show the respective logarithm approximations given by Eq. (15) .
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