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Register a new userRelaxation to the equilibrium in the hard disk dynamics
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We examine the question of the criteria of the relaxation to the equilibrium in the hard disk dynamics. In the Event-Chain Monte Carlo, we check the displacement distributions which follows to the exponential law.
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An overview of some analytical approaches to the computation of the structural and thermodynamic properties of single component and multicomponent hard-sphere fluids is provided. For the structural properties, they yield a thermodynamically consistent formulation, thus improving and extending the known analytical results of the Percus-Yevick theory. Approximate expressions for the contact values of the radial distribution functions and the corresponding analytical equations of state are also discussed. Extensions of this methodology to related systems, such as sticky hard spheres and square-well fluids, as well as its use in connection with the perturbation theory of fluids are briefly addressed.
The hard-disk problem, the statics and the dynamics of equal two-dimensional hard spheres in a periodic box, has had a profound influence on statistical and computational physics. Markov-chain Monte Carlo and molecular dynamics were first discussed for this model. Here we reformulate hard-disk Monte Carlo algorithms in terms of another classic problem, namely the sampling from a polytope. Local Markov-chain Monte Carlo, as proposed by Metropolis et al. in 1953, appears as a sequence of random walks in high-dimensional polytopes, while the moves of the more powerful event-chain algorithm correspond to molecular dynamics evolution. We determine the convergence properties of Monte Carlo methods in a special invariant polytope associated with hard-disk configurations, and the implications for convergence of hard-disk sampling. Finally, we discuss parallelization strategies for event-chain Monte Carlo and present results for a multicore implementation.
X-ray photon correlation is used to probe the slow dynamics of the glass-former B2O3 across the glass transition. In the undercooled liquid phase the decay times of the measured correlation functions are consistent with visible light scattering results and independent of the incoming flux; in the glass they are instead temperature independent and show a definite dependence on the X-ray flux. This dependence can be exploited to obtain information on the volume occupied by the atoms that move in the glass following an absorption event. The length scale derived in this way, of the order of the nanometer, is consistent with that reported for the dynamical heterogeneities, suggesting the existence of a new scheme to get access to this fundamental quantity.
We perform extensive MD simulations of two-dimensional systems of hard disks, focusing on the emph{on}-collision statistical properties. We analyze the distribution functions of velocity, free flight time and free path length for packing fractions ranging from the fluid to the solid phase. The behaviors of the mean free flight time and path length between subsequent collisions are found to drastically change in the coexistence phase. We show that single particle dynamical properties behave analogously in collisional and continuous time representations, exhibiting apparent crossovers between the fluid and the solid phase. We find that, both in collisional and continuous time representation, the mean square displacement, velocity autocorrelation functions, intermediate scattering functions and self part of the van Hove function (propagator), closely reproduce the same behavior exhibited by the corresponding quantities in granular media, colloids and supercooled liquids close to the glass or jamming transition.
We introduce a scheme for deriving an optimally-parametrised Langevin dynamics of few collective variables from data generated in molecular dynamics simulations. The drift and the position-dependent diffusion profiles governing the Langevin dynamics are expressed as explicit averages over the input trajectories. The proposed strategy is applicable to cases when the input trajectories are generated by subjecting the system to a external time-dependent force (as opposed to canonically-equilibrated trajectories). Secondly, it provides an explicit control on the statistical uncertainty of the drift and diffusion profiles. These features lend to the possibility of designing the external force driving the system so to maximize the accuracy of the drift and diffusions profile throughout the phase space of interest. Quantitative criteria are also provided to assess a posteriori the satisfiability of the requisites for applying the method, namely the Markovian character of the stochastic dynamics of the collective variables.
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