335 research outputs found
Thermodynamics of micellization of oppositely charged polymers
The complexation of oppositely charged colloidal objects is considered in
this paper as a thermodynamic micellization process where each kind of object
needs the others to micellize. This requirement gives rise to quantitatively
different behaviors than the so-called mixed-micellization where each specie
can micellize separately. A simple model of the grand potential for micelles is
proposed to corroborate the predictions of this general approach.Comment: 7 pages, 2 figures. Accepted for publication in Europhysics Letter
Coarse-Grained Models of Biological Membranes within the Single Chain Mean Field Theory
The Single Chain Mean Field theory is used to simulate the equilibrium
structure of phospholipid membranes at the molecular level. Three levels of
coarse-graining of DMPC phospholipid surfactants are present: the detailed
44-beads double tails model, the 10-beads double tails model and the minimal
3-beads model. We show that all three models are able to reproduce the
essential equilibrium properties of the phospholipid bilayer, while the
simplest 3-beads model is the fastest model which can describe adequately the
thickness of the layer, the area per lipid and the rigidity of the membrane.
The accuracy of the method in description of equilibrium structures of
membranes compete with Monte Carlo simulations while the speed of computation
and the mean field nature of the approach allows for straightforward
applications to systems with great complexity.Comment: Accepted for publication in Soft Matte
Bilayer Membrane in Confined Geometry: Interlayer Slide and Steric Repulsion
We derived free energy functional of a bilayer lipid membrane from the first
principles of elasticity theory. The model explicitly includes
position-dependent mutual slide of monolayers and bending deformation. Our free
energy functional of liquid-crystalline membrane allows for incompressibility
of the membrane and vanishing of the in-plane shear modulus and obeys
reflectional and rotational symmetries of the flat bilayer. Interlayer slide at
the mid-plane of the membrane results in local difference of surface densities
of the monolayers. The slide amplitude directly enters free energy via the
strain tensor. For small bending deformations the ratio between bending modulus
and area compression coefficient, Kb/KA, is proportional to the square of
monolayer thickness, h. Using the functional we performed self-consistent
calculation of steric potential acting on bilayer between parallel confining
walls separated by distance 2d. We found that temperature-dependent curvature
at the minimum of confining potential is enhanced four times for a bilayer with
slide as compared with a unit bilayer. We also calculate viscous modes of
bilayer membrane between confining walls. Pure bending of the membrane is
investigated, which is decoupled from area dilation at small amplitudes. Three
sources of viscous dissipation are considered: water and membrane viscosities
and interlayer drag. Dispersion has two branches. Confinement between the walls
modifies the bending mode with respect to membrane in bulk solution.
Simultaneously, inter-layer slipping mode, damped by viscous drag, remains
unchanged by confinement.Comment: 23 pages,3 figures, pd
Flexible Lipid Bilayers in Implicit Solvent
A minimalist simulation model for lipid bilayers is presented. Each lipid is
represented by a flexible chain of beads in implicit solvent. The hydrophobic
effect is mimicked through an intermolecular pair potential localized at the
``water''/hydrocarbon tail interface. This potential guarantees realistic
interfacial tensions for lipids in a bilayer geometry. Lipids self assemble
into bilayer structures that display fluidity and elastic properties consistent
with experimental model membrane systems. Varying molecular flexibility allows
for tuning of elastic moduli and area/molecule over a range of values seen in
experimental systems.Comment: 5 pages, 5 figure
Studies of chloroplast development in Euglena. XI. Radioautographic localization of chloroplast DNA.
Enveloping Sophisticated Tools into Process-Centered Environments
We present a tool integration strategy based on enveloping pre-existing tools without source code modifications or recompilation, and without assuming an extension language, application programming interface, or any other special capabilities on the part of the tool. This Black Box enveloping (or wrapping) idea has existed for a long time, but was previously restricted to relatively simple tools. We describe the design and implementation of, and experimentation with, a new Black Box enveloping facility intended for sophisticated tools --- with particular concern for the emerging class of groupware applications
He Scattering from Compact Clusters and from Diffusion-Limited Aggregates on Surfaces: Observable Signatures of Structure
The angular intensity distribution of He beams scattered from compact
clusters and from diffusion limited aggregates, epitaxially grown on metal
surfaces, is investigated theoretically. The purpose is twofold: to distinguish
compact cluster structures from diffusion limited aggregates, and to find
observable {\em signatures} that can characterize the compact clusters at the
atomic level of detail. To simplify the collision dynamics, the study is
carried out in the framework of the sudden approximation, which assumes that
momentum changes perpendicular to the surface are large compared with momentum
transfer due to surface corrugation. The diffusion limited aggregates on which
the scattering calculations were done, were generated by kinetic Monte Carlo
simulations. It is demonstrated, by focusing on the example of compact Pt
Heptamers, that signatures of structure of compact clusters may indeed be
extracted from the scattering distribution. These signatures enable both an
experimental distinction between diffusion limited aggregates and compact
clusters, and a determination of the cluster structure. The characteristics
comprising the signatures are, to varying degrees, the Rainbow, Fraunhofer,
specular and constructive interference peaks, all seen in the intensity
distribution. It is also shown, how the distribution of adsorbate heights above
the metal surface can be obtained by an analysis of the specular peak
attenuation. The results contribute to establishing He scattering as a powerful
tool in the investigation of surface disorder and epitaxial growth on surfaces,
alongside with STM.Comment: 41 pages, 16 postscript figures. For more details see
http://www.fh.huji.ac.il/~dan
Performance of discrete heat engines and heat pumps in finite time
The performance in finite time of a discrete heat engine with internal
friction is analyzed. The working fluid of the engine is composed of an
ensemble of noninteracting two level systems. External work is applied by
changing the external field and thus the internal energy levels. The friction
induces a minimal cycle time. The power output of the engine is optimized with
respect to time allocation between the contact time with the hot and cold baths
as well as the adiabats. The engine's performance is also optimized with
respect to the external fields. By reversing the cycle of operation a heat pump
is constructed. The performance of the engine as a heat pump is also optimized.
By varying the time allocation between the adiabats and the contact time with
the reservoir a universal behavior can be identified. The optimal performance
of the engine when the cold bath is approaching absolute zero is studied. It is
found that the optimal cooling rate converges linearly to zero when the
temperature approaches absolute zero.Comment: 45 pages LaTeX, 25 eps figure
Calculation of the Phase Behavior of Lipids
The self-assembly of monoacyl lipids in solution is studied employing a model
in which the lipid's hydrocarbon tail is described within the Rotational
Isomeric State framework and is attached to a simple hydrophilic head.
Mean-field theory is employed, and the necessary partition function of a single
lipid is obtained via a partial enumeration over a large sample of molecular
conformations. The influence of the lipid architecture on the transition
between the lamellar and inverted-hexagonal phases is calculated, and
qualitative agreement with experiment is found.Comment: to appear in Phys.Rev.
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