Related papers: Equilibrium spherically curved 2D Lennard-Jones sy…
The topology and the geometry of a surface play a fundamental role in determining the equilibrium configurations of thin films of liquid crystals. We propose here a theoretical analysis of a recently introduced surface Frank energy, in the…
Computer simulations of sheared granular fluids, modeled as inelastic hard spheres, are presented which show signs of a uniquely three-dimensional instabilty. In the stable regime, a linear velocity profile, $v_{x}=ay$, with shear rate $a$…
A detailed numerical study of solutions to the Serre-Green-Naghdi (SGN) equations in 2D with vanishing curl of the velocity field is presented. The transverse stability of line solitary waves, 1D solitary waves being exact solutions of the…
Introducing genetic algorithms as a reliable and efficient tool to find ordered equilibrium structures, we predict minimum energy configurations of the square shoulder system for different values of corona width $\lambda$. Varying…
Global equilibrium fragmentation inside a freeze out constraining volume is a working hypothesis widely used in nuclear fragmentation statistical models. In the framework of classical Lennard Jones molecular dynamics, we study how the…
We re-examine the nonperturbative curvature properties of two-dimensional Euclidean quantum gravity, obtained as the scaling limit of a path integral over dynamical triangulations of a two-sphere, which lies in the same universality class…
For quantum theories with a classical limit (which includes the large N limits of typical field theories), we derive a hierarchy of evolution equations for equal time correlators which systematically incorporate corrections to the limiting…
Wetting and drying of a rigid substrate by a Lennard-Jones fluid in molecular dynamics simulations is reported. The size of the substrate particles, being smaller than the fluid particles in former simulations, is now taken to be equal to,…
Studies in atomic-scale modeling of surface phase equilibria often focus on temperatures near zero Kelvin due to the challenges in calculating the free energy of surfaces at finite temperatures. The Bayesian-inference-based nested sampling…
Monte Carlo simulations within the grand canonical ensemble are used to explore the liquid-vapour coexistence curve and critical point properties of the Lennard-Jones fluid. Attention is focused on the joint distribution of density and…
A non-equilibrium model for laser-induced plasmas is used to describe how nano-second temporal mode-beating affects plasma kernel formation and growth in quiescent air. The chemically reactive Navier-Stokes equations describe the…
We study the ground-state properties of one-dimensional fluids of classical (i.e., non-quantum) particles interacting pairwisely via a potential, at the fixed particle density $\rho$. Restricting ourselves to periodic configurations of…
We study an intrinsic curvature model defined on fixed-connectivity triangulated lattices enclosing a spherical core by using the canonical Monte Carlo simulation technique. We find that the model undergoes a discontinuous transition of…
The motion of the three-phase contact line between two immiscible fluids and a solid surface arises in a variety of wetting phenomena and technological applications. One challenge in continuum theory is the effective representation of…
Macroscopic models of nucleation provide powerful tools for understanding activated phase transition processes. These models do not provide atomistic insights and can thus sometime lack material-specific descriptions. Here we provide a…
The theory of second gradient fluids (which are able to exert shear stresses also in equilibrium conditions) allows us: (i) to describe both the thermodynamical and the mechanical behavior of systems in which an interface is present; (ii)…
We study surface nanobubbles using molecular dynamics simulation of ternary (gas, liquid, solid) systems of Lennard-Jones fluids. They form for sufficiently low gas solubility in the liquid, i.e., for large relative gas concentration. For…
Thermal motions in the 2D Lennard-Jones liquid near solidification are studied at equilibrium and under shear flow conditions. At the temperatures of the study, the liquid is significantly aggregated. On times of few to few tens of…
This paper studies physical aging by computer simulations of a 2:1 Kob-Andersen binary Lennard-Jones mixture, a system that is less prone to crystallization than the standard 4:1 composition. Starting from thermal-equilibrium states, the…
We performed molecular dynamics simulations to study relaxation phenomena during vapor-liquid transitions in a single component Lennard-Jones system. Results from two different overall densities are presented; one in the neighborhood of the…