Related papers: Instantaneous Normal Mode Analysis of Supercooled …
Self-diffusion in a two-dimensional simple fluid is investigated by both analytical and numerical means. We investigate the anomalous aspects of self-diffusion in two-dimensional fluids with regards to the mean square displacement, the…
Water-ice systems undergoing melting develop complex spatio-temporal interface dynamics and a non-trivial temperature field. In this contribution, we present computational aspects of a recently conducted validation study that aims at…
We analyze one thousand independent equilibrium trajectories of a system of 155 Lennard Jones particles to separate in a model-free approach the role of temperature and the role of the explored potential energy landscape basin depth in the…
We develop an inertial coupling method for modeling the dynamics of point-like 'blob' particles immersed in an incompressible fluid, generalizing previous work for compressible fluids. The coupling consistently includes excess (positive or…
In this article, we review the progress made on the statistical mechanics of liquids and fluids embedded in curved space. Our main focus will be on two-dimensional manifolds of constant nonzero curvature and on the influence of the latter…
We investigate dynamical coupling between water and amino acid side-chain residues in solvation dynamics by selecting residues often used as natural probes, namely tryptophan, tyrosine and histidine, located at different positions on…
We have investigated thermodynamic and dynamic properties as well as the dielectric constant of water-metha\-nol model mixtures in the entire range of composition by using constant pressure molecular dynamics simulations at ambient…
We derive the Hydrodynamics for a system of N active, spherical, underdamped particles, interacting through conservative forces. At the microscopic level, we represent the evolution of the particles in terms of the Kramers equation for the…
We review the available experimental information on the thermodynamic properties of supercooled ordinary and heavy water and demonstrate the possibility of modeling these thermodynamic properties on a theoretical basis. We show that by…
New experiments for water at the surface of proteins at very low temperature display intriguing dynamic behaviors. The extreme conditions of these experiments make it difficult to explore the wide range of thermodynamic state points needed…
We investigate the collective dynamics of self-propelled droplets, confined in a one dimensional micro-fluidic channel. On one hand, neighboring droplets align and form large trains of droplets moving in the same direction. On the other…
Consider a particle diffusing in a confined volume which is divided into two equal regions. In one region the diffusion coefficient is twice the value of the diffusion coefficient in the other region. Will the particle spend equal…
The interaction between near-wall turbulence and wall curvature is described for the incompressible flow in a plane channel with a small concave-convex-concave bump on the bottom wall, with height comparable to the wall-normal location of…
We present the results of molecular dynamics simulations of the extended simple point charge (SPC/E) model of water to investigate thethermodynamic and dynamic properties of stretched and supercooled water. We locate the liquid-gas…
In this study we investigate shallow turbidity density currents and underflows from mechanical point of view. We propose a simple hyperbolic model for such flows. On one hand, our model is based on very basic conservation principles. On the…
In this paper, we develop a methodology for finite time rotor angle stability analysis using the theory of normal hyperbolic surfaces. The proposed method would bring new insights to the existing techniques, which are based on asymptotic…
We show that the various crossovers between dynamical regimes observed in experiments and simulations of supercooled liquids can be explained in simple terms from the existence and statistical properties of dynamical heterogeneities. We…
Despite the simplicity of its molecular unit, water is a challenging system because of its uniquely rich polymorphism and predicted but yet unconfirmed features. Introducing a novel space of generalized coordinates that capture changes in…
We study the global influence of curvature on the free energy landscape of two-dimensional binary mixtures confined on closed surfaces. Starting from a generic effective free energy, constructed on the basis of symmetry considerations and…
We show that the phase space of stratified turbulence mainly consists of two slow invariant manifolds with rich physics, embedded on a larger basin with fast evolution. A local invariant manifold in the vicinity of the fluid at equilibrium…