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In the statistical mechanics approach to liquid-state theory, understanding the role of the intermolecular potential in determining thermodynamic and structural properties is crucial. The Fisher–Widom (FW) line, which separates regions in the temperature vs density plane where the decay of the total correlation function is monotonic or oscillatory, provides insights into the dominance of the attractive or repulsive part of the interactions. Stopper et al. have recently conjectured [J. Chem. Phys. 151, 014501 (2019)] that the line of vanishing excess isothermal compressibility approximates the FW line in simple fluids. Here, we investigate this conjecture using the Jagla potential and also explore the line of vanishing excess pressure. We employ theoretical approximations and Monte Carlo simulations to study one-dimensional and three-dimensional systems. While exact results for the one-dimensional case do not support the conjecture, our Monte Carlo simulations for the three-dimensional fluid validate it. Our findings not only contribute to the understanding of the relationship between the three transition lines but also provide valuable insights into the thermodynamic and structural behaviour of simple fluids. [ABSTRACT FROM AUTHOR]

The second virial coefficient, the Boyle temperature and the equation of state of van Hove fluids with a relatively short ranged attractive parabolic-well of downward concavity are considered. The analytic second virial coefficient for this fluid is obtained explicitly and it is used to compute the Boyle temperature of the fluid as a function of the range of the potential. Further, an equation of state is derived using the second-order thermodynamic perturbation theory of Barker and Henderson in the macroscopic compressibility approximation, with the hard-sphere fluid being the reference fluid. For this latter we profit from the fully analytical expression of the radial distribution function, consistent with the Carnahan-Starling equation state, derived within the so-called rational function approximation method up to a range twice the size of the hard-core diameter. The results for the reduced pressure of the fluid as a function of the packing fraction and two values of the range of the potential well at different temperatures are compared with Monte Carlo simulation data. Estimates of the values of the critical temperature are also provided. [ABSTRACT FROM AUTHOR]

We study the velocity autocorrelations in an experimental configuration of confined two-dimensional active rotors (disks). We report persistent small scale oscillations in both rotational and translational velocity autocorrelations, with their characteristic frequency increasing as rotational activity increases. While these small oscillations are qualitatively similar in all experiments, we found that, at strong particle rotational activity, the large scale particle spin fluctuations tend to vanish, with the small oscillations around zero persisting in this case, and spins remain predominantly and strongly anti-correlated at longer times. For weaker rotational activity, however, spin fluctuations become increasingly larger, and angular velocities remain de-correlated at longer times. We discuss in detail how the autocorrelation oscillations are related to the rotational activity and why this feature is, generically, a signal of the emergence of chirality in the dynamics of a particulate system. [ABSTRACT FROM AUTHOR]

The structural properties of the Jagla fluid are studied by Monte Carlo (MC) simulations, numerical solutions of integral equation theories, and the (semi-analytical) rational-function approximation (RFA) method. In the latter case, the results are obtained from the assumption (supported by our MC simulations) that the Jagla potential and a potential with a hard core plus an appropriate piecewise constant function lead to practically the same cavity function. The predictions obtained for the radial distribution function, g(r), from this approach are compared against MC simulations and integral equations for the Jagla model, and also for the limiting cases of the triangle-well potential and the ramp potential, with a general good agreement. The analytical form of the RFA in Laplace space allows us to describe the asymptotic behavior of g(r) in a clean way and compare it with MC simulations for representative states with oscillatory or monotonic decay. The RFA predictions for the Fisher-Widom and Widom lines of the Jagla fluid are obtained. [ABSTRACT FROM AUTHOR]

We study an air-fluidized granular monolayer composed of plastic spheres which roll on a metallic grid. The air current is adjusted so that the spheres never lose contact with the grid and so that the dynamics may be regarded as pseudo two dimensional (or two dimensional, if the effects of the sphere rolling are not taken into account). We find two surprising continuous transitions, both of them displaying two coexisting phases. Moreover, in all the cases, we found the coexisting phases display a strong energy non-equipartition. In the first transition, at a weak fluidization, a glass phase coexists with a disordered fluid-like phase. In the second transition, a hexagonal crystal coexists with the fluid phase. We analyze, for these two-phase systems, the specific diffusive properties of each phase, as well as the velocity correlations. Surprisingly, we find a glass phase at a very low packing fraction and for a wide range of granular temperatures. Both phases are also characterized by strong anticorrelated velocities upon a collision. Thus, the dynamics observed for this quasi two-dimensional system unveil phase transitions with peculiar properties, very different from the predicted behavior in well-know theories for their equilibrium counterparts.

We study the interfacial phenomenology of a fluid in contact with a one-dimensional array of infinitely long grooves of sinusoidal section, characterized by the periodicity length L and amplitude A. The system is modelled by the Landau-Ginzburg-Wilson functional, with fluid-substrate couplings which control the wettability of the substrate. We investigate the filling and wetting phenomena within the mean-field approximation, and compare with the predictions of the macroscopic and interfacial Hamiltonian theories. For large values of L and under bulk coexistence conditions, we observe first-order filling transitions between dry (D) and partially filled (F) interfacial states, and wetting transitions between partially filled F and completely wet (W) interfacial states of the same order as for the flat substrate. Depending on the order of the wetting transition, the transition temperature is either shifted towards lower temperatures for first-order wetting or it coincides with the wetting temperature on the flat substrate for continuous wetting. On the other hand, if the groove height is of order of the correlation length, only wetting transitions between D and W states are observed under bulk coexistence conditions. For this case, the transition temperature shift obeys approximately Wenzel's phenomenological law if the substrate favors first-order wetting, but it remains unshifted for continuous wetting. The borderline between the small and large L regimes correspond to a D - F - W triple point if wetting is first-order, and a D - F critical point for continuous wetting. Beyond bulk coexistence conditions, filling and first-order wetting transitions continue into off-coexistence filling and prewetting lines, which end up at critical points. Our findings show that the macroscopic theory only describes accurately the filling transition close to bulk coexistence and large L, while microscopic structure of the fluid is essential to understand wetting and filling away from bulk coexistence.