Related papers: Solid-like features in dense vapors near the fluid…
A liquid is termed strongly correlating if its virial and potential energy thermal equilibrium fluctuations in the NVT ensemble are more than 90% correlated [Phys. Rev. Lett. 100, 015701 (2008)]. The fluctuations of a strongly correlating…
We present a high-resolution computer simulation study of the equation of state of ST2 water, evaluating the liquid-state properties at 2718 state points, and precisely locating the liquid-liquid critical point (LLCP) occurring in this…
The dynamics of a thin layer of liquid, between a flat solid substrate and an infinitely-thick layer of saturated vapor, is examined. The liquid and vapor are two phases of the same fluid, governed by the diffuse-interface model. The…
This work presents the mathematical and computational aspects of a smooth dissipative particle dynamics with dynamic virtual particle allocation method (SDPD-DV) for modeling and simulation of mesoscopic fluids in wall-bounded domains. The…
It has long been known that particles with short-range repulsive interactions in spatial dimension d=1 form universal quantum liquids in the low density limit: all properties can be related to those of the spinless free Fermi gas. Previous…
Unlike crystalline solids, liquids lack long-range order, resulting in diffusive shear fluctuations rather than propagating waves. Simulations predict that liquids exhibit a $k$-gap in wave-vector space, where solid-like transverse waves…
Many-body interactions can play a relevant role in water properties. Here we study by Monte Carlo simulations a coarse-grained model for bulk water that includes many-body interactions associated to water cooperativity. The model is…
We determine the impact of the Friedel oscillations on the phase behavior, critical properties and thermodynamic contours in films ($2D$) and bulk phases ($3D$). Using Expanded Wang-Landau simulations, we calculate the grand-canonical…
We use a one-dimensional (1d) core-softened potential to develop a physical picture for some of the anomalies present in liquid water. The core-softened potential mimics the effect of hydrogen bonding. The interest in the 1d system stems…
Non-equilibrium molecular dynamics (NEMD) simulations of fluid flow have highlighted the peculiarities of nanoscale flows compared to classical fluid mechanics; in particular, boundary conditions can deviate from the no-slip behavior at…
We study in detail a critical line on the phase diagram of the Cho-Fisher network model separating three different phases: metallic and two distinct localized phases with different quantized thermal Hall conductances. This system describes…
Fluids in which the interparticle potential has a hard core, is attractive at moderate separations, and repulsive at greater separations are known to exhibit novel phase behavior, including stable inhomogeneous phases. Here we report a…
The location of the Frenkel line (FL) of a Lennard-Jones fluid which demarcates two distinct physical states, liquidlike and gaslike within the supercritical regime, has been established through molecular dynamics (MD) simulations of the…
In this work we present a numerical study, based on molecular dynamics simulations, to estimate the freezing point of hard spheres and hypersphere systems in dimension D = 4, 5, 6 and 7. We have studied the changes of the Radial…
We study fluids of hard rods in the vicinity of hard spherical and cylindrical surfaces at densities below the isotropic-nematic transition. The Onsager second virial approximation is applied, which is known to yield exact results for the…
We discuss the two-channel Kondo problem with a pseudogap density of states, $\rho(\w)\propto|\w|^r$, of the bath fermions. Combining both analytical and numerical renormalization group techniques, we characterize the impurity phases and…
We perform successive umbrella sampling grand canonical Monte Carlo computer simulations of the original ST2 model of water in the vicinity of the proposed liquid-liquid critical point, at temperatures above and below the critical…
We study, by using liquid-state theories and Monte Carlo simulation, the behavior of systems of classical particles interacting through a finite pair repulsion supplemented with a longer range attraction. Any such potential can be driven…
Large-scale coherent structures are identified in turbulent pipe flow at $Re_\tau=181$ by having long lifetimes, living on large scales and travelling with a certain group velocity. A Characteristic Dynamic Mode Decomposition (CDMD) is used…
Density functional theory is used to study colloidal hard-rod fluids near an individual right-angled wedge or edge as well as near a hard wall which is periodically patterned with rectangular barriers. The Zwanzig model, in which the…