arXiv subjects

Santos Bravo Yuste

Publications and source records attributed to Santos Bravo Yuste.

13 recordsLinked to original sources

arXiv2026

Particle-scale structure of granular suspensions

Granular suspensions are intrinsically nonequilibrium systems in which dissipative grain-grain collisions coexist with solvent-induced forcing. We study the particle-scale structure of a granular suspension modeled by inelastic hard spheres immersed in a thermal bath and compare Langevin-dynamics simulation results for the radial distribution function $g(r)$ and the static structure factor $S(q)$ with predictions of an equilibrium-inspired rational function approximation (RFA). The equilibrium hard-sphere RFA is supplied with nonequilibrium input for the contact value and a reduced isothermal-compressibility-like quantity, yielding analytical expressions for $g(r)$ in Laplace space and for $S(q)$. We find that the RFA gives a very good description of the short- and intermediate-range structure of the suspension over a broad range of densities, drag coefficients, and inelasticities. It reproduces $g(r)$ substantially better than the Percus-Yevick approximation in inelastic states, especially near contact, and gives a good account of $S(q)$ except at the smallest wave numbers. There, simulations show a drag-dependent enhancement over the RFA prediction, indicating additional long-wavelength nonequilibrium correlations beyond the present equilibrium-like description. These results show that an equilibrium-based hard-sphere approach provides an accurate description of the particle-scale structure of the present Langevin model with inelastic hard spheres (except in the smallest-$q$ region), and suggest that similar equilibrium-inspired approaches may also be useful for related nonequilibrium hard-sphere suspension models, including multicomponent systems.

cond-mat.soft↗

arXiv2026

Particles, trajectories and diffusion: random walks in cooling granular gases

We study the mean-square displacement (MSD) of a tracer particle diffusing in a granular gas of inelastic hard spheres under homogeneous cooling state (HCS). Tracer and granular gas particles are in general mechanically different. Our approach uses a series representation of the MSD where the $k$-th term is given in terms of the mean scalar product $\langle \mathbf{r}_1\cdot\mathbf{r}_k \rangle$, with $\mathbf{r}_i$ denoting the displacements of the tracer between successive collisions. We find that this series approximates a geometric series with the ratio $Ω$. We derive an explicit analytical expression of $Ω$ for granular gases in three dimensions, and validate it through a comparison with the numerical results obtained from the direct simulation Monte Carlo (DSMC) method. Our comparison covers a wide range of masses, sizes, and inelasticities. From the geometric series, we find that the MSD per collision is simply given by the mean-square free path of the particle divided by $1-Ω$. The analytical expression for the MSD derived here is compared with DSMC data and with the first- and second-Sonine approximations to the MSD obtained from the Chapman-Enskog solution of the Boltzmann equation. Surprisingly, despite their simplicity, our results outperforms the predictions of the first-Sonine approximation to the MSD, achieving accuracy comparable to the second-Sonine approximation.

cond-mat.stat-mech↗

arXiv2025

Single file dynamics of tethered random walkers

We consider the single-file dynamics of $N$ identical random walkers moving with diffusivity $D$ in one dimension (walkers bounce off each other when attempting to overtake). Additionally, we require that the separation between neighboring walkers cannot exceed a threshold value $Δ$ and therefore call them ``tethered walkers'' (they behave as if bounded by strings which tighten fully when reaching the maximum length $Δ$). For finite $Δ$, we study the diffusional relaxation to the equilibrium state and characterize the latter [the long-time relaxation is exponential with a characteristic time that scales as $(NΔ)^2/D$]. In particular, our approximate approach for the $N$-particle probability distribution yields the one-particle distribution function of the central and edge particles [the first two positional moments are given as power expansions in $Δ/\sqrt{4Dt}$]. For $N=2$, we find an exact solution (both in the continuum case and on-lattice) and use it to test our approximations for one-particle distributions, positional moments, and correlations. For finite $Δ$ and arbitrary $N$, edge particles move with an effective long-time diffusivity $D/N$, in sharp contrast with the $1/\ln(N)$-behavior observed when $Δ=\infty$. Finally, we compute the probability distribution of the equilibrium system length and the associated entropy. We find that the force required to change this length by a given amount is linear in this quantity, the (entropic) spring constant being $6k_BT/(NΔ^2)$. In this respect, the system behaves like an ideal polymer. Our main analytical results are confirmed by Monte Carlo simulations.

cond-mat.stat-mech↗

arXiv2024

Mean square displacement of intruders in freely cooling multicomponent granular mixtures

The mean square displacement (MSD) of intruders (tracer particles) immersed in a multicomponent granular mixture made up of smooth inelastic hard spheres in a homogeneous cooling state is explicitly computed. The multicomponent granular mixture is constituted by $s$ species with different masses, diameters, and coefficients of restitution. In the hydrodynamic regime, the time decay of the granular temperature of the mixture gives rise to a time decay of the intruder's diffusion coefficient $D_0$. The corresponding MSD of the intruder is determined by integrating the corresponding diffusion equation. As expected from previous works on binary mixtures, we find a logarithmic time dependence of the MSD which involves the coefficient $D_0$. To analyze the dependence of the MSD on the parameter space of the system, the diffusion coefficient is explicitly determined by considering the so-called second Sonine approximation (two terms in the Sonine polynomial expansion of the intruder's distribution function). The theoretical results for $D_0$ are compared with those obtained by numerically solving the Boltzmann equation by means of the direct simulation Monte Carlo method. We show that the second Sonine approximation improves the predictions of the first Sonine approximation, especially when the intruders are much lighter than the particles of the granular mixture. In the long-time limit, our results for the MSD agree with those recently obtained by Bodrova [Phys. Rev. E \textbf{109}, 024903 (2024)] when $D_0$ is determined by considering the first Sonine approximation.

cond-mat.soft↗

arXiv2024

An Adaptive Difference Method for Variable-Order Diffusion Equations

An adaptive finite difference scheme for variable-order fractional-time subdiffusion equations in the Caputo form is studied. The fractional time derivative is discretized by the L1 procedure but using nonhomogeneous timesteps. The size of these timesteps is chosen by an adaptive algorithm in order to keep the local error bounded around a preset value, a value that can be chosen at will. For some types of problems this adaptive method is much faster than the corresponding usual method with fixed timesteps while keeping the local error of the numerical solution around the preset values. These findings turns out to be similar to those found for constant-order fractional diffusion equations.

math.NA↗

arXiv2024

Gaseous Diffusion as a Correlated Random Walk

The mean square displacement per collision of a molecule immersed in a gas at equilibrium is given by its mean square displacement between two consecutive collisions (mean square free path) corrected by a prefactor in the form of a series. The $n$-th term of the series is proportional to the mean value of the scalar product $\rb_1 \cdot \rb_{n}$, where $\rb_i$ is the displacement of the molecule between the $(i-1)$-th and $i$-th collisions. Simple arguments are used to obtain approximate expressions for each term. The key finding is that the ratio of consecutive terms in the series closely approximates the so-called mean persistence ratio. Exact expressions for the terms in the series are considered and their ratios for several consecutive terms are calculated for the case of hard spheres, showing an excellent agreement with the mean persistence ratio. These theoretical results are confirmed by solving the Boltzmann equation by means of the direct simulation Monte Carlo method. By summing the series, the mean square displacement and the diffusion coefficient can be determined using only two quantities: the mean square free path and the mean persistence ratio. A simple and an improved expression for the diffusion coefficient $D$ are considered and compared with the so-called first and second Sonine approximations to $D$ as well as with computer simulations of the Boltzmann equation. It is found that the improved diffusion coefficient shows very good agreement with simulation results over all intruder and molecule mass ranges. When the intruder mass is smaller than that of the gas molecules, the improved formula even outperforms the first Sonine approximation.

cond-mat.soft↗

arXiv2023

Diffusion of intruders in granular suspensions: Enskog theory and random walk interpretation

The Enskog kinetic theory is applied to compute the mean square displacement of intruders immersed in a granular gas of smooth inelastic hard spheres (grains). Both species (intruders and grains) are surrounded by an interstitial molecular gas (background) that plays the role of a thermal bath. The influence of the latter on the motion of intruders and grains is modeled via a standard viscous drag force supplemented by a stochastic Langevin-like force proportional to the background temperature. We solve the corresponding Enskog--Lorentz kinetic equation by means of the Chapman--Enskog expansion truncated to first order in the gradient of the intruder number density. The integral equation for the diffusion coefficient is solved by considering the first two Sonine approximations. To test these results, we also compute the diffusion coefficient from the numerical solution of the inelastic Enskog equation by means of the direct simulation Monte Carlo method. We find that the first Sonine approximation generally agrees well with the simulation results, although significant discrepancies arise when the intruders become lighter than the grains. Such discrepancies are largely mitigated by the use of the second-Sonine approximation, in excellent agreement with computer simulations even for moderately strong inelasticities and/or dissimilar mass and diameter ratios. We invoke a random walk picture of the intruders' motion to shed light on the physics underlying the intricate dependence of the diffusion coefficient on the main system parameters. This approach, recently employed to study the case of an intruder immersed in a granular gas, also proves useful in the present case of a granular suspension. Finally, we discuss the applicability of our model to real systems in the self-diffusion case. We conclude that collisional effects may strongly impact the diffusion coefficient of the grains.

cond-mat.soft↗

arXiv2022

On the mean square displacement of intruders in freely cooling granular gases

We compute the mean square displacement (MSD) of intruders immersed in a freely cooling granular gas made up of smooth inelastic hard spheres. In general, intruders and particles of the granular gas are assumed to have different mechanical properties, implying that non-equipartition of energy must be accounted for in the computation of the diffusion coefficient $D$. In the hydrodynamic regime, the time decay of the granular temperature $T$ of the cooling granular gas is known to be dictated by Haff's law; the corresponding decay of the intruder's collision frequency entails a time decrease of the diffusion coefficient $D$. Explicit knowledge of this time dependence allows us to determine the MSD by integrating the corresponding diffusion equation. As in previous studies of self-diffusion (intruders mechanically equivalent to gas particles) and the Brownian limit (intruder's mass much larger than the grain's mass), we find a logarithmic time dependence of the MSD as a consequence of Haff's law. Beyond the logarithmic time growth, we find that the MSD depends on the mechanical system parameters in a highly complex way. To explain the observed behaviour, we analyze in detail the intruder's random walk, consisting of ballistic displacements interrupted by anisotropic deflections caused by the collisions with the hard spheres. We also show that the MSD can be thought of as arising from an equivalent random walk with isotropic, uncorrelated steps.

cond-mat.soft↗

arXiv2016

Numerical matrix method for quantum periodic potentials

A numerical matrix methodology is applied to quantum problems with periodic potentials. The procedure consists essentially in replacing the true potential by an alternative one, restricted by an infinite square well, and in expressing the wave functions as finite superpositions of eigenfunctions of the infinite well. A matrix eigenvalue equation then yields the energy levels of the periodic potential within an acceptable accuracy. The methodology has been successfully used to deal with problems based on the well-known Kronig-Penney (KP) model. Besides the original model, these problems are a dimerized KP solid, a KP solid containing a surface, and a KP solid under an external field. A short list of additional problems that can be solved with this procedure is presented.

quant-ph↗

arXiv2014

Depletion potential in the infinite dilution limit

The depletion force and depletion potential between two in principle unequal "big" hard spheres embedded in a multicomponent mixture of "small" hard spheres are computed using the Rational Function Approximation method for the structural properties of hard-sphere mixtures [S. B. Yuste, A. Santos, and M. López de Haro, J. Chem. Phys. {\bf 108}, 3683 (1998)]. The cases of equal solute particles and of one big particle and a hard planar wall in a background monodisperse hard-sphere fluid are explicitly analyzed. An improvement over the performance of the Percus-Yevick theory and good agreement with available simulation results are found

cond-mat.soft↗

arXiv2011

On a novel iterative method to compute polynomial approximations to Bessel functions of the first kind and its connection to the solution of fractional diffusion/diffusion-wave problems

We present an iterative method to obtain approximations to Bessel functions of the first kind $J_p(x)$ ($p>-1$) via the repeated application of an integral operator to an initial seed function $f_0(x)$. The class of seed functions $f_0(x)$ leading to sets of increasingly accurate approximations $f_n(x)$ is considerably large and includes any polynomial. When the operator is applied once to a polynomial of degree $s$, it yields a polynomial of degree $s+2$, and so the iteration of this operator generates sets of increasingly better polynomial approximations of increasing degree. We focus on the set of polynomial approximations generated from the seed function $f_0(x)=1$. This set of polynomials is not only useful for the computation of $J_p(x)$, but also from a physical point of view, as it describes the long-time decay modes of certain fractional diffusion and diffusion-wave problems.

math-ph↗

arXiv2008

Number of distinct sites visited by a subdiffusive random walker

The asymptotic mean number of distinct sites visited by a subdiffusive continuous time random walker in two dimensions seems not to have been explicitly calculated anywhere in the literature. This number has been calculated for other dimensions for only one specific asymptotic behavior of the waiting time distribution between steps. We present an explicit derivation for two cases in all integer dimensions so as to formally complete a tableaux of results. In this tableaux we include the dominant as well as subdominant contributions in all integer dimensions. Other quantities that can be calculated from the mean number of distinct sites visited are also discussed.

cond-mat.stat-mech↗

arXiv2007

The subdiffusive target problem: Survival probability

The asymptotic survival probability of a spherical target in the presence of a single subdiffusive trap or surrounded by a sea of subdiffusive traps in a continuous Euclidean medium is calculated. In one and two dimensions the survival probability of the target in the presence of a single trap decays to zero as a power law and as a power law with logarithmic correction, respectively. The target is thus reached with certainty, but it takes the trap an infinite time on average to do so. In three dimensions a single trap may never reach the target and so the survival probability is finite and, in fact, does not depend on whether the traps move diffusively or subdiffusively. When the target is surrounded by a sea of traps, on the other hand, its survival probability decays as a stretched exponential in all dimensions (with a logarithmic correction in the exponent for $d=2$). A trap will therefore reach the target with certainty, and will do so in a finite time. These results may be directly related to enzyme binding kinetics on DNA in the crowded cellular environment.

cond-mat.stat-mech↗