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A new empirical potential for efficient, large scale molecular dynamics simulation of water is presented. The HIPPO (Hydrogen-like Intermolecular Polarizable POtential) force field is based upon the model electron density of a hydrogen-like…
Interior models of Uranus and Neptune often assume discrete layers, but sharp interfaces are expected only if major constituents are immiscible. Diffuse interfaces could arise if accretion favored a central concentration of the least…
It is well known that the Casimir force between two half-spaces is dictated by their electromagnetic properties. In particular, when one of the half-spaces is mainly metallic or dielectric and the other is mainly magnetic, it is possible to…
The fluctuation pressure of a lipid-bilayer membrane is important for the stability of lamellar phases and the adhesion of membranes to surfaces. In contrast to many theoretical studies, which predict a decrease of the pressure with the…
This work tests the statistical mechanical theory of hydrophobic interactions, isolates consequences of excluded volume interactions, and obtains B2 for those purposes. Cavity methods that are particularly appropriate for study of…
Water offers a large temperature domain of stable liquid, and the characteristic hydrophobic effects are first a consequence of the temperature insensitivity of equation-of-state features of the aqueous medium, compared to other liquids. On…
We investigate pores in fluid membranes by molecular dynamics simulations of an amphiphile-solvent mixture, using a molecular coarse-grained model. The amphiphilic membranes self-assemble into a lamellar stack of amphiphilic bilayers…
The great challenge with biological membrane systems is the wide range of scales involved, from nanometers and picoseconds for individual lipids, to the micrometers and beyond millisecond for cellular signalling processes. While…
Bolaamphiphilesamphiphilic molecules with polar groups at each of the two ends of a hydrophobic tail with pH-sensitive spontaneous molecular curvaturesendow membranes of extremophiles with an exquisite balance between stability (or…
We construct a coarse-grained effective two-dimensional (2d) hydrodynamic theory as a theoretical model for a coupled system of a fluid membrane and a thin layer of a polar active fluid in its ordered state that is anchored to the membrane.…
We perform molecular dynamics simulations to investigate the diffusive motion of TIP5P water in the direction perpendicular to the two hydrophobic confining walls. To calculate the diffusion coefficient, we use the concept of the…
Two identical particles driven by the same steady force through a viscous fluid may move relative to one another due to hydrodynamic interactions. The presence or absence of this relative translation has a profound effect on the dynamics of…
A recently introduced particle-based model for fluid dynamics with continuous velocities is generalized to model immiscible binary mixtures. Excluded volume interactions between the two components are modeled by stochastic multiparticle…
We present experimental and theoretical results on intrusion-extrusion cycles of water in hydrophobic mesoporous materials, characterized by independent cylindrical pores. The intrusion, which takes place above the bulk saturation pressure,…
The well-known Wall theorem states a simple and precise relation among temperature, pressure and density of a fluid at contact with a confining hard wall in thermodynamic equilibrium. In this Letter we develop an extension of the Wall…
We develop a new model, to our knowledge, for the many-body hydrodynamics of amphiphilic Janus particles suspended in a viscous background flow. The Janus particles interact through a hydrophobic attraction potential that leads to…
We present a simple and computationally efficient coarse-grained and solvent-free model for simulating lipid bilayer membranes. In order to be used in concert with particle-based reaction-diffusion simulations, the model is purely based on…
Cellular uptake of nanoplastics is instrumental in their environmental accumulation and transfer to humans through the food chain. Despite extensive studies using spherical plastic nanoparticles, the influence of the morphological…
We have constructed a model for the kinetics of rupture of membranes under tension, applying physical principles relevant to lipid bilayers held together by hydrophobic interactions. The membrane is characterized by the bulk compressibility…
We have measured the thermal properties of suspended membranes from 10 K to 300 K for two amplitudes of internal stress (about 0.1 GPa and 1 GPa) and for two different thicknesses (50 nm and 100 nm). The use of the original 3 \omega…