相关论文: Single-Speed Molecular Dynamics of Hard Parallel S…

Instabilities resulting in Bose-Einstein condensation and/or modulation of "displacements" in a system of quantum particles described by a two-state Bose-Hubbard model (with an allowance for the interaction between particle displacements on…

We calculate the phase behavior of hard spheres with size polydispersity, using accurate free energy expressions for the fluid and solid phases. Cloud and shadow curves, which determine the onset of phase coexistence, are found exactly by…

We analyze the combined effect of the long range Coulomb (LRC) interaction and of surface energy on first order density-driven phase transitions in the presence of a compensating rigid background. We study mixed states formed by regions of…

We examine the influence of the main approximations employed in density-functional theory descriptions of the solid phase of molecular hydrogen near dissociation. We consider the importance of nuclear quantum effects on equilibrium…

Soft particles such as microgels and core-shell particles can undergo significant and anisotropic deformations when adsorbed to a liquid interface. This, in turn, leads to a complex phase behavior upon compression. Here we develop a…

We study, from first principles, the pressure exerted by an active fluid of spherical particles on general boundaries in two dimensions. We show that, despite the non-uniform pressure along curved walls, an equation of state is recovered…

We analyze the behavior of the microcanonical and canonical caloric curves for a piecewise model of the configurational density of states of simple solids, in the context of melting from the superheated state, as realized numerically in the…

The modeling of multi-phase flow is very challenging, given the range of scales as well as the diversity of flow regimes that one encounters in this context. We revisit the discrete equation method (DEM) for two-phase flow in the absence of…

The phase behavior of binary fluid mixtures of hard hyperspheres in four and five dimensions is investigated. Spinodal instability is found by using a recent and accurate prescription for the equation of state of the mixture that requires…

We investigate the phase behaviour of a two-dimensional colloidal model system of ultra-soft particles on a substrate which varies periodically along one spatial direction. Our calculations are based on mean-field density functional theory…

In a recent class of phase field crystal (PFC) models, the density order parameter is coupled to powers of its mean field. This effectively introduces a phenomenology of higher-order direct correlation functions acting on long wavelengths,…

Hard sphere systems are often used to model simple fluids. The configuration spaces of hard spheres in a three-dimensional torus modulo various symmetry groups are comparatively simple, and could provide valuable information about the…

There is a classic alternative to the Franck-Hertz experiment designed to show more than a recurrence of the first excited state. Instead of being subjected to a rising potential between source and accelerating grid, electrons are now…

Continuum solvation models are becoming increasingly relevant in condensed matter simulations, allowing to characterize materials interfaces in the presence of wet electrified environments at a reduced computational cost with respect to all…

A recently introduced particle-based model for fluid dynamics with effective excluded volume interactions is analyzed in detail. The interactions are modeled by means of stochastic multiparticle collisions which are biased and depend on…

We discuss a unified flow theory which in a single system of hyperbolic partial differential equations (PDEs) can describe the two main branches of continuum mechanics, fluid dynamics, and solid dynamics. The fundamental difference from the…

We propose a scheme for investigating the quantum dynamics of interacting electron models by means of time-dependent variational principle and spin coherent states of space lattice operators. We apply such a scheme to the one-dimensional…

Lamellar or smectic phases often have an intricate intralamellar structure that remains scarcely understood from a microscopic viewpoint. In this work, we use molecular dynamics simulations to study the effect of volume exclusion and…

Slow-fast dynamical systems, i.e., singularly or non-singularly perturbed dynamical systems possess slow invariant manifolds on which trajectories evolve slowly. Since the last century various methods have been developed for approximating…

We investigate the slow dynamics of a colloidal model with two repulsive length scales, whose interaction potential is the sum of a hard-core and a square shoulder. Despite the simplicity of the interactions, Mode-Coupling theory predicts a…