相关论文: Single-Speed Molecular Dynamics of Hard Parallel S…
A thermodynamically consistent particle-based model for fluid dynamics with continuous velocities and a non-ideal equation of state is presented. Excluded volume interactions are modeled by means of biased stochastic multiparticle…
A series of phase diagrams is obtained for a smooth pair-potential with an outer well and a repulsive inner shoulder. Condensed phase coexistence curves are located using free-energy calculations. Liquid-vapour equilibria are obtained with…
We construct a phase field model including hydrodynamics and elasticity in one-component systems. It can be used to investigate solid-liquid and liquid-liquid phase transitions. Upon first-order phase transition, a velocity field is induced…
We performed extensive molecular dynamics (MD) simulations, supplemented by Mode Coupling Theory (MCT) calculations, for the Square Shoulder (SS) model, a purely repulsive potential where the hard-core is complemented by a finite shoulder.…
We investigate the large-scale circulation (LSC) in a turbulent Rayleigh-B\'enard convection flow in a cubic closed convection cell by means of direct numerical simulations at a Rayleigh number $Ra=10^6$. The numerical studies are conducted…
A new model that includes the time-dependent dynamics of the single-particle (s.p.) motion in conjunction with the macroscopic evolution of the system is proposed for describing the compound nucleus (CN) formation in fusion of heavy nuclei.…
We introduce and test via molecular simulation a simple model for predicting the manner in which interparticle interactions and thermodynamic conditions impact the single-particle free-volume distributions of equilibrium fluids. The model…
Studying the series expansion of the thermodynamic potential for the hard-core N3 lattice-gas model, we provide evidence for a first-order phase-transition with a finite jump in density and entropy, in agreement with numerical transfer…
Entropically driven fluid-solid transitions in monodisperse, purely repulsive hard spheres (MPRHS) are well established in theory, simulation, and experiment for atomic and colloidal systems. For MPRHS, however, coexistence is usually…
Few equilibrium --even less so nonequilibrium-- statistical-mechanical models with continuous degrees of freedom can be solved exactly. Classical hard-spheres in infinitely many space dimensions are a notable exception. We show that even…
We determine the phase diagram for a generalisation of two-and three-dimensional hard spheres: a classical system with three-body interactions realised as a hard cut-off on the mean-square distance for each triplet of particles. Quantum…
The free evolution of inelastic particles in one dimension is studied by means of Molecular Dynamics (MD), of an inelastic pseudo-Maxwell model and of a lattice model, with emphasis on the role of spatial correlations. We present an exact…
The present study investigates the gravity-driven settling dynamics of non-Brownian suspensions of spherical and cubic particles within a triply periodic domain. The effect of solid volume fraction on the evolving microstructure of a…
This study presents an innovative direct numerical simulation approach for complex particle systems with irregular shapes and large numbers. Using partially saturated methods, it accurately models arbitrary shapes, albeit at considerable…
The reformulation of the mode-coupling theory (MCT) of the liquid-glass transition which incorporates the element of metastability is applied to the hard-sphere system. It is shown that the glass transition in this system is not a sharp one…
In this paper, we study a system of PDEs describing the motion of two compressible viscous fluids occupying the whole space $\mathbb R^d\;(d\in \{2,3\}$). The two phases of the mixture are separated by a $\mathscr{C}^{1+\alpha}$-regular…
We introduce and study a model of hardcore particles obeying run-and-tumble dynamics on a one-dimensional lattice, where particles run in either +ve or -ve $x$-direction with an effective speed $v$ and tumble (change their direction of…
We derive a mode-coupling theory for the slow dynamics of fluids confined in disordered porous media represented by spherical particles randomly placed in space. Its equations display the usual nonlinear structure met in this theoretical…
The growing trend towards engineering interfacial complexion (or phase) transitions has been seen in the grain boundary and solid surface systems.Meanwhile, little attention has been paid to the chemically heterogeneous solid/liquid…
Continuum models of plasticity fail to capture the richness of microstructural evolution because the continuum is a homogeneous construction. The present study shows that an alternative way is available at the mesoscale in the form of truly…