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Simple equation of state for hard disks on the hyperbolic plane

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 Added by Andres Santos
 Publication date 2008
  fields Physics
and research's language is English




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A simple equation of state for hard disks on the hyperbolic plane is proposed. It yields the exact second virial coefficient and contains a pole at the highest possible packing. A comparison with another very recent theoretical proposal and simulation data is presented.



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The coupling-parameter method, whereby an extra particle is progressively coupled to the rest of the particles, is applied to the sticky-hard-sphere fluid to obtain its equation of state in the so-called chemical-potential route ($mu$ route). As a consistency test, the results for one-dimensional sticky particles are shown to be exact. Results corresponding to the three-dimensional case (Baxters model) are derived within the Percus-Yevick approximation by using different prescriptions for the dependence of the interaction potential of the extra particle on the coupling parameter. The critical point and the coexistence curve of the gas-liquid phase transition are obtained in the $mu$ route and compared with predictions from other thermodynamics routes and from computer simulations. The results show that the $mu$ route yields a general better description than the virial, energy, compressibility, and zero-separation routes.
We examine a simple hard disc fluid with no long range interactions on the two dimensional space of constant negative Gaussian curvature, the hyperbolic plane. This geometry provides a natural mechanism by which global crystalline order is frustrated, allowing us to construct a tractable model of disordered monodisperse hard discs. We extend free area theory and the virial expansion to this regime, deriving the equation of state for the system, and compare its predictions with simulation near an isostatic packing in the curved space.
An approach to obtain the structural properties of additive binary hard-sphere mixtures is presented. Such an approach, which is a nontrivial generalization of the one recently used for monocomponent hard-sphere fluids [S. Pieprzyk, A. C. Branka, and D. M. Heyes, Phys. Rev. E 95, 062104 (2017)], combines accurate molecular-dynamics simulation data, the pole structure representation of the total correlation functions, and the Ornstein-Zernike equation. A comparison of the direct correlation functions obtained with the present scheme with those derived from theoretical results stemming from the Percus-Yevick (PY) closure and the so-called rational-function approximation (RFA) is performed. The density dependence of the leading poles of the Fourier transforms of the total correlation functions and the decay of the pair correlation functions of the mixtures are also addressed and compared to the predictions of the two theoretical approximations. A very good overall agreement between the results of the present scheme and those of the RFA is found, thus suggesting that the latter (which is an improvement over the PY approximation) can safely be used to predict reasonably well the long-range behavior, including the structural crossover, of the correlation functions of additive binary hard-sphere mixtures.
The structural properties of additive binary hard-sphere mixtures are addressed as a follow-up of a previous paper [S. Pieprzyk et al., Phys. Rev. E 101, 012117 (2020)]. The so-called rational-function approximation method and an approach combining accurate molecular dynamics simulation data, the pole structure representation of the total correlation functions, and the Ornstein-Zernike equation are considered. The density, composition, and size-ratio dependencies of the leading poles of the Fourier transforms of the total correlation functions $h_{ij} (r)$ of such mixtures are presented, those poles accounting for the asymptotic decay of $h_{ij} (r)$ for large $r$. Structural crossovers, in which the asymptotic wavelength of the oscillations of the total correlation functions changes discontinuously, are investigated. The behavior of the structural crossover lines as the size ratio and densities of the two species are changed is also discussed.
The transport coefficients for dilute granular gases of inelastic and rough hard disks or spheres with constant coefficients of normal ($alpha$) and tangential ($beta$) restitution are obtained in a unified framework as functions of the number of translational ($d_t$) and rotational ($d_r$) degrees of freedom. The derivation is carried out by means of the Chapman--Enskog method with a Sonine-like approximation in which, in contrast to previous approaches, the reference distribution function for angular velocities does not need to be specified. The well-known case of purely smooth $d$-dimensional particles is recovered by setting $d_t=d$ and formally taking the limit $d_rto 0$. In addition, previous results [G. M. Kremer, A. Santos, and V. Garzo, Phys. Rev. E 90, 022205 (2014)] for hard spheres are reobtained by taking $d_t=d_r=3$, while novel results for hard-disk gases are derived with the choice $d_t=2$, $d_r=1$. The singular quasismooth limit ($betato -1$) and the conservative Pidducks gas ($alpha=beta=1$) are also obtained and discussed.
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