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Register a new userHard spheres dynamics: weak vs hard collisions
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Authors
Denis Serre
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We consider the motion of a finite though large number $N$ of hard spheres in the whole space $mathbb{R}^n$. Particles move freely until they experience elastic collisions. We use our recent theory of Compensated Integrability in order to estimate how much the particles are deviated by collisions. Our result, which is expressed in terms of hodographs, tells us that only $O(N^2)$ collisions are significant.
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We review a virial-type estimate which bounds the strength of interaction for a gas of $N$ hard spheres (billiard balls) dispersing into Euclidean space $mathbb{R}^d$. This type of estimate has been known for decades in the context of (semi-)dispersing billiards, and is essentially trivial in that context. Our goal, however, is to write virial estimates in a way which may lend insight into the problem of rigorously deriving Boltzmanns equation (cf. Lanfords theorem). Using virial estimates, we provide a short proof of lower bounds (sharp up to powers of logarithms) on the convergence rate of the first marginal in Lanfords theorem. Such lower bounds will often, but not always, follow trivially from energy conservation, the proof we present holds assuming only that the limiting dynamics is regular enough and does not reduce to free transport.
A system of hard spheres exhibits physics that is controlled only by their density. This comes about because the interaction energy is either infinite or zero, so all allowed configurations have exactly the same energy. The low density phase is liquid, while the high density phase is crystalline, an example of order by disorder as it is driven purely by entropic considerations. Here we study a family of hard spin models, which we call hardcore spin models, where we replace the translational degrees of freedom of hard spheres with the orientational degrees of freedom of lattice spins. Their hardcore interaction serves analogously to divide configurations of the many spin system into allowed and disallowed sectors. We present detailed results on the square lattice in $d=2$ for a set of models with $mathbb{Z}_n$ symmetry, which generalize Potts models, and their $U(1)$ limits, for ferromagnetic and antiferromagnetic senses of the interaction, which we refer to as exclusion and inclusion models. As the exclusion/inclusion angles are varied, we find a Kosterlitz-Thouless phase transition between a disordered phase and an ordered phase with quasi-long-ranged order, which is the form order by disorder takes in these systems. These results follow from a set of height representations, an ergodic cluster algorithm, and transfer matrix calculations.
Normal dynamics in a quasi-one-dimensional channel of length L (toinfty) of N hard spheres are analyzed. The spheres are heterogeneous: each has a diffusion coefficient D that is drawn from a probability density function (PDF), W D^(-{gamma}), for small D, where 0leq{gamma}<1. The initial spheres density {rho} is non-uniform and scales with the distance (from the origin) l as, {rho} l^(-a), 0leqaleq1. An approximation for the N-particle PDF for this problem is derived. From this solution, scaling law analysis and numerical simulations, we show here that the mean square displacement for a particle in such a system obeys, <r^2>~t^(1-{gamma})/(2c-{gamma}), where c=1/(1+a). The PDF of the tagged particle is Gaussian in position. Generalizations of these results are considered.
We consider a gas of $N$ identical hard spheres in the whole space, and we enforce the Boltzmann-Grad scaling. We may suppose that the particles are essentially independent of each other at some initial time; even so, correlations will be created by the dynamics. We will prove a structure theorem for the correlations which develop at positive time. Our result generalizes a previous result which states that there are phase points where the three-particle marginal density factorizes into two-particle and one-particle parts, while further factorization is impossible. The result depends on uniform bounds which are known to hold on a small time interval, or globally in time when the mean free path is large.
We present molecular dynamics simulations of pseudo hard sphere fluid (generalized WCA potential with exponents (50, 49) proposed by Jover et al. J. Chem. Phys 137, (2012)) using GROMACS package. The equation of state and radial distribution functions at contact are obtained from simulations and compared to the available theory of true hard spheres (HS) and available data on pseudo hard spheres. The comparison shows agreements with data by Jover et al. and the Carnahan-Starling equation of HS. The shear viscosity is obtained from the simulations and compared to the Enskog expression and previous HS simulations. It is demonstrated that the PHS potential reproduces the HS shear viscosity accurately.
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