We study a one dimensional gas of needle-like objects as a testing ground for a formalism that relates the thermodynamic properties of "hard" potentials to the probabilities for contacts between particles. Specifically, we use Monte Carlo methods to calculate the pressure and elasticity coefficient of the hard-needle gas as a function of its density. The results are then compared to the same quantities obtained analytically from a transfer matrix approach.
We re-examine the ordering behavior of a one-dimensional fluid of freely rotating hard needles, where the centers of mass of the particles are restricted to a line. Analytical equations are obtained for the equation of state, order parameter and orientational correlation functions using the transfer-matrix method if some simplifying assumptions are applied for either the orientational freedom or the contact distance between two needles. The two-state Zwanzig model accounts for the orientational ordering, but it produces unphysical pressure at high densities and there is no orientational correl…
We perform extensive Monte Carlo simulations of a two-dimensional bent hard-needle model in both its chiral zig-zag and its achiral bow-shape configurations and present their phase diagrams. We find evidence for a variety of stable phases: isotropic, quasi-nematic, smectic-C, anti-ferromorphic smectic-A, and modulated-nematic. This last phase consists of layers formed by supramolecular arches. They create a periodic modulation of the molecular polarity whose period is sensitively controlled by molecular geometry. We identify transition densities using correlation functions together with approp…
The isotropic-to-nematic transition in a two-dimensional fluid of hard needles is studied using grand canonical Monte Carlo simulations, multiple histogram reweighting, and finite size scaling. The transition is shown to be of the Kosterlitz-Thouless type, via a direct measurement of the critical exponents eta and beta, of the susceptibility and order parameter, respectively. At the transition, eta=1/4 and beta=1/8 are observed, in excellent agreement with Kosterlitz-Thouless theory. Also the shift in the chemical potential of the nematic susceptibility maximum with system size is in good agre…
We calculate a collective number of thermodynamic quantities in a one-dimensional gas of hard elongated objects (such as needles) whose centers mobile on a line. Our formalism uses an approximation for the probabilities of contact between the objects. We show that in moderate pressures the quantities extracted from the noncentral potential do not rely on its noncentrality, instead we can extract them analytically from a central potential. Our formalism reproduces the nontrivial features of a gas of elongated objects. Finally, we show below a crossover pressure $p_o$ the rotational couplings ca…
Deposition and evaporation of infinitely thin hard rods (needles) is studied in two dimensions using Monte Carlo simulations. The ratio of deposition to evaporation rates controls the equilibrium density of rods, and increasing it leads to an entropy-driven transition to a nematic phase in which both static and dynamical orientational correlation functions decay as power laws, with exponents varying continuously with deposition-evaporation rate ratio. Our results for the onset of the power-law phase agree with those for a conserved number of rods. At a coarse-grained level, the dynamics of the…
We study thermodynamics properties of a one dimensional gas of hard elongated particles. The particle centers are restricted to a line, while they can rotate in two-dimensional space. Correlations between orientations of the objects are studied (by transfer matrix method) as a function of density and aspect ratio. The behavior in the extreme high-density (jamming) limit is described by a few universality classes depending on the object's shape. In particular, there is a diverging correlation length when the contact point of adjacent objects is far from the line along which their centers move, …
We report the emergence of a giant Mpemba effect in the uniformly heated gas of inelastic rough hard spheres: The initially hotter sample may cool sooner than the colder one, even when the initial temperatures differ by more than one order of magnitude. In order to understand this behavior, it suffices to consider the simplest Maxwellian approximation for the velocity distribution in a kinetic approach. The largeness of the effect stems from the fact that the rotational and translational temperatures, which obey two coupled evolution equations, are comparable. Our theoretical predictions agree…
We continue discussion of hard-ball models of statistical mechanics, by example of random walk of hard ball immersed into equlibrium ideal gas. Our goal is to highlight decisive role of specific phase-space subsets, despite their vanishingly smaall Lebesgue measures under the Boltzmann-Grad limit. The "art of draining" such subsets in conventional mathematical constructions resulted in loss of so principal property of many-particle systems as 1/f-noise in diffusivities, mobilities and other transport and relaxation rates. We suggest new approaches to formulation and analysis of evolution equat…
Transfer-Matrix Study of Hard-Core Singularity for Hard-Square Lattice Gas
利用转移矩阵的数值对角化方法研究了硬正方形格子气在负逸度轴上的奇异性。通过唯象重整化技术精确地确定了奇点$z_c^-$和临界指数$ν$的位置，分别为-0.11933888188（1）和0.416667（1）.中心荷$c$和主标度维数$x_σ$分别为-4.399996（8）和-0.3999996（7）.这些结果有力地支持了该奇异性与Yang-Lee边奇异性（$c=-22/5, x_σ=-2/5 and ν=5/12$）属于同一普适类。
Momentum-conserving one-dimensional models are known to exhibit anomalous Fourier's law, with a thermal conductivity varying as a power law of the system size. Here we measure, by numerical simulations, several cumulants of the heat flux of a one-dimensional hard particle gas. We find that the cumulants, like the conductivity, vary as power laws of the system size. Our results also indicate that cumulants higher than the second follow different power laws when one compares the ring geometry at equilibrium and the linear case in contact with two heat baths (at equal or unequal temperatures). ke…
The $k$-NN hard core lattice gas model on a square lattice, in which the first $k$ next nearest neighbor sites of a particle are excluded from being occupied by another particle, is the lattice version of the hard disc model in two dimensional continuum. It has been conjectured that the lattice model, like its continuum counterpart, will show multiple entropy-driven transitions with increasing density if the high density phase has columnar or striped order. Here, we determine the nature of the phase at full packing for $k$ up to $820302$. We show that there are only eighteen values of $k$, all…
Transport coefficients are of crucial importance in theoretical as well as experimental studies. Despite substantial research on classical hard sphere/disk gases in low and high density regimes, a thorough investigation of transport coefficients for massive relativistic systems is missing in the literature. In this work a fully relativistic molecular dynamics simulation is employed to numerically obtain the transport coefficients of a hard sphere relativistic gas based on Helfand-Einstein expressions. The numerical data are then used to check the accuracy of Chapmann-Enskog (CE) predictions in…
We study the $k$-NN hard core lattice gas model in which the first $k$ next nearest neighbor sites of a particle are excluded from occupation by other particles on a two dimensional square lattice. This model is the lattice version of the hard disc system with increasing $k$ corresponding to decreasing lattice spacing. While the hard disc system is known to undergo a two step freezing process with increasing density, the lattice model has been known to show only one transition. Here, based on Monte Carlo simulations and high density expansions of the free energy and density, we argue that for …
The hard square lattice gas model on a square lattice is known to undergo a continuous phase transition from a low density fluid-like phase to high density phase with columnar or smectic order. We estimate the critical activity $z_c$ by calculating, within an approximation scheme, the interfacial tension between two differently ordered columnar phases, and then setting it to zero. The approximation scheme allows for the ordered phases to have multiple defects and the interface between the ordered phases to have overhangs. We estimate $z_c=105.35$, which is in good agreement with existing Monte…
A dilute gas of hard disks confined between two straight parallel lines is considered. The distance between the two boundaries is in between one and two particle diameters, so that the system is quasi-one-dimensional. A Boltzmann-like kinetic equation, that takes into account the limitation in the possible scattering angles, is derived. It is shown that the equation verifies an $H$ theorem implying a monotonic approach to equilibrium. The implications of this result are discussed, and the equilibrium properties are derived. Closed equations describing how the kinetic energy is transferred betw…
We use microscopic many-body theory to analyze the problem of itinerant ferromagnetism in a repulsive atomic Fermi gas of Hard Spheres. Using simple arguments, we show that the available theoretical predictions for the onset of the ferromagnetic transition predict a transition point at a density ($k_F a \sim 1$) that is too large to be compatible with the universal low-density expansion of the energy. We present new variational calculations for the hard-sphere Fermi gas, in the framework of Fermi hypperneted chain theory, that shift the transition to higher densities ($k_F a \sim 1.8$). Backfl…
We study the entanglement dynamics of a one-dimensional hard-core quantum gas initially confined in a box of size $L$ with saturated density $ρ=1$. The gas is suddenly released into a region of size $2L$ by moving one of the box edges. We show that the analytic prediction for the entanglement entropy obtained from quantum fluctuating hydrodynamics holds quantitatively true even after several reflections of the gas against the box edges. We further investigate the long time limit $t/L\gg 1$ where a Floquet picture of the non-equilibrium dynamics emerges and hydrodynamics eventually breaks down.
We demonstrate the possibility to build a thermoelectric engine using a one dimensional gas of molecules with unequal masses and hard-point interaction. Most importantly, we show that the efficiency of this engine is determined by a new parameter YT which is different from the well known figure of merit ZT. Even though the efficiency of this particular model is low, our results shed new light on the problem and open the possibility to build efficient thermoelectric engines.
The BBGKY hierarchy of equations for a particle interacting with ideal gas is analyzed in terms of irreducible many-particle correlations between gas atoms and the particle's motion. The transition to the hard-sphere interaction is formulated from viewpoint of the recently discovered exact relations connecting the correlations with the particle's probability distribution. Then the Boltzmann-Grad limit is considered and shown not to lead to the Bolzmann hierarchy and the molecular chaos, since correlations of all orders keep significant.in this limit, merely taking a singular form.
We apply the statistical measure of complexity, introduced by López-Ruiz, Mancini and Calbet to a hard-sphere dilute Fermi gas whose particles interact via a repulsive hard-core potential. We employ the momentum distribution of this system to calculate the information entropy, the disequilibrium and the statistical complexity. We examine possible connections between the particle correlations and energy of the system with those information and complexity measures. The hard-sphere model serves as a test bed for concepts about complexity.
Mathematically rigorous derivation of the hadron matter equation of state within the induced surface and curvature tensions approach is worked out. Such an equation of state allows one to go beyond the Van der Waals approximation for the interaction potential of hard spheres. The compressibility of a single- and two-component hadron mixtures are found for two- and three-dimensional cases. The obtained results are compared to the well known one- and two-component equations of state of hard spheres and hard discs. The values of the model parameters which successfully reproduce the above-mentione…
International Centre for Theoretical Sciences, Tata Institute of Fundamental Research（国际理论科学中心，塔塔基础研究所）；Racah Institute of Physics, Hebrew University of Jerusalem（拉卡物理研究所，耶路撒冷希伯来大学）
We obtain the phase diagram of the hard core lattice gas with third nearest neighbor exclusion on the triangular lattice using Monte Carlo simulations that are based on a rejection-free flat histogram algorithm. In a recent paper [J. Chem. Phys. 151, 104702 (2019)], it was claimed that the lattice gas with third nearest neighbor exclusion undergoes two phase transitions with increasing density, with the phase at intermediate densities exhibiting hexatic order with continuously varying exponents. Though a hexatic phase is expected when the exclusion range is large, it has not been seen earlier …
The necessary conditions to derive the quantum VdW EoS with hard-core repulsion from the quantum partition are discussed. On a plausible example it is shown that an alternative way to account correctly for the 3-rd virial coefficient of classical hard spheres leads to inconsistencies. The multicomponent formulation of the quantum VdW EoS with hard-core repulsion is derived within a self-consisting approximation. For practical applications it is simplified, extended to higher densities and generalized to the case of hard convex bodies of any dimension $D\ge 2$.
