相关论文: Transition state theory and the dynamics of hard d…
We investigate numerically the applicability of dynamic facilitation (DF) theory for glass-forming binary hard disk systems where supercompression is controlled by pressure. By using novel efficient algorithms for hard disks, we are able to…
Numerical simulations by Tanaka and coworkers indicate that glass forming systems of moderately polydisperse hard-core particles, in both two and three dimensions, exhibit diverging correlation lengths. These correlations are described by…
A description in terms of transition rates among cells is used to analyze self-diffusion of hard spheres in the fluid phase. Cell size is assumed much larger than the mean free path. Transition state theory is used to obtain an equation…
We study the statistical properties of two hard spheres in a two dimensional rectangular box. In this system, the relation like Van der Waals equation loop is obtained between the width of the box and the pressure working on side walls. The…
Monte Carlo simulation is used to study the dynamical crossover from single file diffusion to normal diffusion in fluids confined to narrow channels. We show that the long time diffusion coefficients for a series of systems involving hard…
The dynamics of a system composed of inelastic hard spheres or disks that are confined between two parallel vertically vibrating walls is studied (the vertical direction is defined as the direction perpendicular to the walls). The distance…
We study a model of rolling particles subject to stochastic fluctuations, which may be relevant in systems of nano- or micro-scale particles where rolling is an approximation for strong static friction. We consider the simplest possible…
We demonstrate the application of transition state theory to wave packet dynamics in metastable Schr\"odinger systems which are approached by means of a variational ansatz for the wave function and whose dynamics is described within the…
We consider a gauge theory of the glass transition in the frustrated XY model being simplest model containing topologically nontrivial excitations. We describe the transition kinetics and find that the three-dimensional system exhibits the…
Large-scale computer simulations involving more than a million particles have been performed to study the melting transition in a two-dimensional hard disk fluid. The van der Waals loop previously observed in the pressure-density…
Particles confined to a single file, in a narrow quasi-one dimensional channel, exhibit a dynamic crossover from single file diffusion to Fickian diffusion as the channel radius increases and the particles can begin to pass each other. The…
We report large-scale computer simulations of the hard-disk system at high densities in the region of the melting transition. Our simulations reproduce the equation of state, previously obtained using the event-chain Monte Carlo algorithm,…
We report the combined results of molecular dynamics simulations and theoretical calculations concerning various dynamical arrest transitions in a model system representing a dipolar fluid, namely, N (softcore) rigid spheres interacting…
A combination of the density functional theory and the single-site dynamical mean-field theory is employed to study the pressure dependence of electronic structure for cubic phase californium. We predict that its 5$f$ electrons could…
We report Monte Carlo results for the two-dimensional hard disk system in the transition region. Simulations were performed in the NVT ensemble with up to 1024^2 disks. The scaling behaviour of the positional and bond-orientational order…
The fuzzy disc is a discretization of the algebra of functions on the two dimensional disc using finite matrices which preserves the action of the rotation group. We define a $\varphi^4$ scalar field theory on it and analyze numerically for…
Liquid-solid phase transition and the change of the frictional force of a system with two hard spheres in a two-dimensional rectangular box are discussed. Under controlling the pressure or the supply of energy from the wall, the solid like…
We develop the kinetic theory of Hamiltonian systems with weak long-range interactions. Starting from the Klimontovich equation and using a quasilinear theory, we obtain a general kinetic equation that can be applied to spatially…
We simulate the compression of a two-component Lennard-Jones liquid at a variety of constant temperatures using a molecular dynamics algorithm in an isobaric-isothermal ensemble. The viscosity of the liquid increases with pressure,…
The glass transition of a hard sphere system is investigated within the framework of the density functional theory (DFT). Molecular dynamics (MD) simulations are performed to study dynamical behavior of the system on the one hand and to…