相关论文: Lectures on Molecular- and Nano-scale Fluctuations…

These are pedagogical lecture notes on hydrodynamic fluctuations in normal relativistic fluids. The lectures discuss correlation functions of conserved densities in thermal equilibrium, interactions of the hydrodynamic modes, an effective…

This is a series of four lectures presented at the 2015 Enrico Fermi summer school in Varenna. The aim of the lectures is to give an introduction to the hydrodynamics of active matter concentrating on low Reynolds number examples such as…

Lectures delivered at the International School of Physics "Enrico Fermi", held in Villa Monastero, Varenna, Italy, 94.

We investigate a lattice-fluid model of water, defined on a 3-dimensional body-centered cubic lattice. Model molecules possess a tetrahedral symmetry, with four equivalent bonding arms. The model is similar to the one proposed by Roberts…

We use molecular dynamics simulations to study the diffusion of water inside deformed carbon nanotubes, with different degrees of eccentricity at 300K. We found a water structural transition between tubular-like to single-file for the (7,7)…

Dynamic fluctuations in hydrogen-bond network of water occur from femto- to nano-second timescale and provides insights into structural/dynamical aspects of water at ion-water interfaces. Employing terahertz spectroscopy assisted with…

Water near hydrophobic surfaces is like that at a liquid-vapor interface, where fluctuations in water density are substantially enhanced compared to that in bulk water. Here we use molecular simulations with specialized sampling techniques…

The aversion of hydrophobic solutes for water drives diverse interactions and assemblies across materials science, biology and beyond. % Here, we review the theoretical, computational and experimental developments which underpin a…

The physics of air-water interfaces plays a central role in modern theories of the hydrophobic effect. Implementing these theories, however, has been hampered by the difficulty of addressing fluctuations in the shape of such soft…

Employing smart Monte Carlo sampling techniques within the grand canonical ensemble, we investigate the properties of water at a model hydrophobic substrate. By reducing the strength of substrate-water attraction we find that fluctuations…

The results of molecular dynamics simulations of the properties of water in an aqueous ionic solution close to an interface with a model metallic electrode are described. In the simulations the electrode behaves as an ideally polarizable…

This paper is an introduction to the modelling of viscoelastic fluids, with an emphasis on micro-macro (or multiscale) models. Some elements of mathematical and numerical analysis are provided. These notes closely follow the lectures…

We present an extension of our recently introduced molecular density functional theory of water [G. Jeanmairet et al., J. Phys. Chem. Lett. 4, 619, 2013] to the solvation of hydrophobic solutes of various sizes, going from angstroms to…

It is shown that structuring at the microlevel, a previously not described in detail phenomenon, is the intrinsic property of water and aqueous solutions. At room conditions water (including "ultrapure" one) and aqueous solutions are…

The properties of liquid water are known to change drastically in confined geometries. A most interesting and intriguing phenomenon is that the diffusion of water is found to be strongly enhanced by the proximity of a hydrophobic confining…

This material complements David Chandler's Introduction to Modern Statistical Mechanics (Oxford University Press, 1987) in a graduate-level, one-semester course I teach in the Department of Chemistry at Duke University. Students enter this…

In these lectures, which were presented at "Soft and Fragile Matter, Nonequilibrium Dynamics, Metastability and Flow" University of St. Andrews, 8 July - 22 July, 1999, I give an introduction to the physics of supercooled liquids and…

We use molecular dynamics simulations to study the diffusion of water inside deformed carbon nanotubes with different degrees of deformation at 300 K. We found that the number of hydrogen bonds that water forms depends on nanotube topology,…

We present a coarse-grained model for ionic surfactants in explicit aqueous solutions, and study by computer simulation both the impact of water content on the morphology of the system, and the consequent effect of the formed interfaces on…

The goal of this work is to propose a simple continuous model that captures the dielectric properties of water at the nanometric scale. We write an electrostatic energy as a functional of the polarisation field containing a term in $P^4$…