arXiv subjects

M. Pretti

Publications and source records attributed to M. Pretti.

11 recordsLinked to original sources

arXiv2020

Simple Exclusion Processes with Local Resetting

We investigate the stationary state of Symmetric and Totally Asymmetric Simple Exclusion Processes with local resetting, on a one-dimensional lattice with periodic boundary conditions, using mean-field approximations, which appear to be exact in the thermodynamic limit, and kinetic Monte Carlo simulations. In both cases we find that in the thermodynamic limit the models exhibit three different regimes, depending on how the resetting rate scales with the system size. The Totally Asymmetric version of the model has a particularly rich behaviour, especially in an intermediate resetting regime where the resetting rate vanishes as the inverse of the system size, exhibiting 4 different phases, including phase separation.

cond-mat.stat-mech↗

arXiv2020

Dynamical transitions in a driven diffusive model with interactions

We study the dynamics of an asymmetric simple exclusion process with open boundaries and local interactions using a pair approximation which generalizes the 2-node cluster mean field theory and the Markov chain approach to kinetics and shares with these approaches the property of reproducing exact results for the bulk current-density relation and the steady state phase diagrams. We find that the relaxation rate exhibits a dynamical transition, with no static counterpart, analogous to that found without interactions. Remarkably, for some values of the model's parameters, we find 2 dynamical transitions in the same low density phase. We study the dynamics of relaxation to the steady state on both sides of these transitions and make an attempt at providing a physical interpretation for this phenomenon. Results from numerical approaches and a modified Domain Wall Theory confirm the picture provided by the pair approximation.

cond-mat.stat-mech↗

arXiv2020

Unbalanced Langmuir kinetics affects TASEP dynamical transitions: mean-field theory

In a previous study we developed a mean-field theory of dynamical transitions for the totally-asymmetric simple-exclusion process (TASEP) with open boundaries and Langmuir kinetics, in the so-called balanced regime, characterized by equal binding and unbinding rates. Here we show that simply including the possibility of unbalanced rates gives rise to an unexpectedly richer dynamical phase diagram. In particular, the current work predicts an unusual type of dynamical transition, which exhibits certain similarities with first-order phase transitions of equilibrium systems. We also point out that different types of dynamical transition are accompanied by different structural changes in the (mean-field) relaxation spectrum.

cond-mat.stat-mech↗

arXiv2015

Polymer models with competing collapse interactions on Husimi and Bethe lattices

In the framework of Husimi and Bethe lattices, we investigate a generalized polymer model that incorporates as special cases different models previously studied in the literature, namely, the standard interacting self-avoiding walk, the interacting self-avoiding trail, and the vertex-interacting self-avoiding walk. These models are characterized by different microscopic interactions, giving rise, in the two-dimensional case, to collapse transitions of an apparently different nature. We expect that our results, even though of a mean-field type, could provide some useful information to elucidate the role of such different theta points in the polymer phase diagram. These issues are at the core of a long-standing unresolved debate.

cond-mat.stat-mech↗

arXiv2009

Revisiting waterlike network-forming lattice models

In a previous paper [J. Chem. Phys. 129, 024506 (2008)] we studied a 3 dimensional lattice model of a network-forming fluid, recently proposed in order to investigate water anomalies. Our semi-analytical calculation, based on a cluster-variation technique, turned out to reproduce almost quantitatively several Monte Carlo results and allowed us to clarify the structure of the phase diagram, including different kinds of orientationally ordered phases. Here, we extend the calculation to different parameter values and to other similar models, known in the literature. We observe that analogous ordered phases occur in all these models. Moreover, we show that certain "waterlike" thermodynamic anomalies, claimed by previous studies, are indeed artifacts of a homogeneity assumption made in the analytical treatment. We argue that such a difficulty is common to a whole class of lattice models for water, and suggest a possible way to overcome the problem.

cond-mat.stat-mech↗

arXiv2008

Cluster-variation approximation for a network-forming lattice-fluid model

We consider a 3-dimensional lattice model of a network-forming fluid, which has been recently investigated by Girardi and coworkers by means of Monte Carlo simulations [J. Chem. Phys. \textbf{126}, 064503 (2007)], with the aim of describing water anomalies. We develop an approximate semi-analytical calculation, based on a cluster-variation technique, which turns out to reproduce almost quantitatively different thermodynamic properties and phase transitions determined by the Monte Carlo method. Nevertheless, our calculation points out the existence of two different phases characterized by long-range orientational order, and of critical transitions between them and to a high-temperature orientationally-disordered phase. Also, the existence of such critical lines allows us to explain certain ``kinks'' in the isotherms and isobars determined by the Monte Carlo analysis. The picture of the phase diagram becomes much more complex and richer, though unfortunately less suitable to describe real water.

physics.chem-ph↗

arXiv2006

RNAlike polymer model: exact calculation on the Bethe lattice

We consider a lattice polymer model (random walk), in which the walk is allowed to visit lattice bonds at most twice. Such a model might have some relevance to describe statistical properties of RNA molecules. In order to mimic base pairing, we assign an attractive energy term to each doubly-visited bond, and a further contribution to each pair of consecutive doubly-visited bonds. The latter term is expected to mimic the stacking effect, whereas no effect of sequence, that is, of chemical specificity, is taken into account. The phase diagram is worked out exactly on a Bethe lattice, in a grand-canonical formulation. In the dilute solution (single molecule) limit, the system undergoes two different phase transitions, upon decreasing temperature: a Thetalike collapse from a swollen "coil" state to a "molten" state, with a low fraction of doubly-visited bonds, and subsequently to a "paired" state, with empty or doubly-visited bonds only. The stacking effect drives the latter transition from second to first order.

cond-mat.soft↗

arXiv2005

Thermodynamic anomalies in a lattice model of water: Solvation properties

We investigate a lattice-fluid model of water, defined on a 3-dimensional body-centered cubic lattice. Model molecules possess a tetrahedral symmetry, with four equivalent bonding arms. The model is similar to the one proposed by Roberts and Debenedetti [J. Chem. Phys. 105, 658 (1996)], simplified by removing distinction between "donors" and "acceptors". We focus on solvation properties, mainly as far as an ideally inert (hydrophobic) solute is concerned. As in our previous analysis, devoted to neat water [J. Chem. Phys. 121, 11856 (2004)], we make use of a generalized first order approximation on a tetrahedral cluster. We show that the model exhibits quite a coherent picture of water thermodynamics, reproducing qualitatively several anomalous properties observed both in pure water and in solutions of hydrophobic solutes. As far as supercooled liquid water is concerned, the model is consistent with the second critical point scenario.

cond-mat.soft↗

arXiv2005

Hydration of an apolar solute in a two-dimensional waterlike lattice fluid

In a previous work, we investigated a two-dimensional lattice-fluid model, displaying some waterlike thermodynamic anomalies. The model, defined on a triangular lattice, is now extended to aqueous solutions with apolar species. Water molecules are of the "Mercedes Benz" type, i.e., they possess a D3 (equilateral triangle) symmetry, with three equivalent bonding arms. Bond formation depends both on orientation and local density. The insertion of inert molecules displays typical signatures of hydrophobic hydration: large positive transfer free energy, large negative transfer entropy (at low temperature), strong temperature dependence of the transfer enthalpy and entropy, i.e., large (positive) transfer heat capacity. Model properties are derived by a generalized first order approximation on a triangle cluster.

cond-mat.soft↗

arXiv2004

Thermodynamic anomalies in a lattice model of water

We investigate a lattice-fluid model of water, defined on a three-dimensional body centered cubic lattice. Model molecules possess a tetrahedral symmetry, with four equivalent bonding arms, aiming to mimic the formation of hydrogen bonds. The model is similar to the one proposed by Roberts and Debenedetti [J. Chem. Phys. 105, 658 (1996)], simplified in that no distinction between bond "donors" and "acceptors" is imposed. Bond formation depends both on orientation and local density. In the ground state, we show that two different ordered (ice) phases are allowed. At finite temperature, we analyze homogeneous phases only, working out phase diagram, response functions, the temperature of maximum density locus, and the Kauzmann line. We make use of a generalized first order approximation on a tetrahedral cluster. In the liquid phase, the model exhibits several anomalous properties observed in real water. In the low temperature region (supercooled liquid), there are evidences of a second critical point and, for some range of parameter values, this scenario is compatible with the existence of a reentrant spinodal.

cond-mat.soft↗

arXiv2004

Two-dimensional lattice-fluid model with water-like anomalies

We investigate a lattice-fluid model defined on a two-dimensional triangular lattice, with the aim of reproducing qualitatively some anomalous properties of water. Model molecules are of the "Mercedes Benz" type, i.e., they possess a D3 (equilateral triangle) symmetry, with three bonding arms. Bond formation depends both on orientation and local density. We work out phase diagrams, response functions, and stability limits for the liquid phase, making use of a generalized first order approximation on a triangle cluster, whose accuracy is verified, in some cases, by Monte Carlo simulations. The phase diagram displays one ordered (solid) phase which is less dense than the liquid one. At fixed pressure the liquid phase response functions show the typical anomalous behavior observed in liquid water, while, in the supercooled region, a reentrant spinodal is observed.

cond-mat.soft↗