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We investigate the relation between thermodynamic and dynamic properties of an associating lattice gas (ALG) model. The ALG combines a two dimensional lattice gas with particles interacting through a soft core potential and orientational…

Statistical Mechanics · Physics 2009-11-11 Marcia M. Szortyka , Marcia C. Barbosa

We investigate the relation between thermodynamic and dynamic properties of an associating lattice gas (ALG) model. The ALG combines a three dimensional lattice gas with particles interacting through a soft core potential and orientational…

Soft Condensed Matter · Physics 2009-11-13 Mauricio Girardi , Marcia Szortyka , Marcia C. Barbosa

We revisit the associating lattice gas~(ALG) introduced by Henriques \textit{et al.} [PRE 71, 031504 (2005)] in its symmetric version. In this model, defined on the triangular lattice, interaction between molecules occupying…

Statistical Mechanics · Physics 2021-12-16 Ingrid Ibagon , A. P. Furlan , T. J. Oliveira , Ronald Dickman

We investigate the phase diagram of a three-dimensional associating gas $(ALG)$ model. This model combines orientational ice-like interactions and ``van der Waals'' that might be repulsive, representing, in this case, a penalty for…

Soft Condensed Matter · Physics 2015-06-25 Mauricio Girardi , Aline L. Balladares , Vera B. Henriques , Marcia C. Barbosa

We study an associating lattice gas (ALG) using Monte Carlo simulation and solutions on Husimi lattices. In this model, the molecules have an orientational degree of freedom and the interactions depend on the relative orientations of…

Statistical Mechanics · Physics 2019-08-14 A. P. Furlan , Tiago J. Oliveira , Jürgen F. Stilck , Ronald Dickman

We study a very simple model of a short-range attraction and an outer shell repulsion as a test system for demixing phase transition and density anomaly. The phase-diagram is obtained by applying mean field analysis and Monte Carlo…

Statistical Mechanics · Physics 2016-08-31 Alan B. de Oliveira , Marcia C. Barbosa

We present a simple model for an associating liquid in which polymorphism and density anomaly are connected. Our model combines a two dimensional lattice gas with particles interacting through a soft core potential and orientational degrees…

Statistical Mechanics · Physics 2009-11-10 Vera B. Henriques , Marcia C Barbosa

In this paper we investigate the dynamic properties of the minimal Bell-Lavis (BL) water model and their relation to the thermodynamic anomalies. The Bell-Lavis model is defined on a triangular lattice in which water molecules are…

Statistical Mechanics · Physics 2015-05-19 Marcia M. Szortyka , Carlos E. Fiore , Vera B. Henriques , Marcia C. Barbosa

Using molecular dynamics simulations, we study a spherically-symmetric ``two-scale'' Jagla potential with both repulsive and attractive ramps. This potential displays a liquid-liquid phase transition with a positively sloped coexistence…

Soft Condensed Matter · Physics 2009-11-11 Limei Xu , Isaac Ehrenberg , Sergey V. Buldyrev , H. Eugene Stanley

Using discrete molecular dynamics simulations we study the relation between the thermodynamic and diffusive behaviors of a primitive model of aqueous solutions of hydrophobic solutes consisting of hard spheres in the Jagla particles…

Soft Condensed Matter · Physics 2015-06-04 D. Corradini , P. Gallo , S. V. Buldyrev , H. E. Stanley

We examine the behavior of the diffusion coefficient of the ST2 model of water over a broad region of the phase diagram via molecular dynamics simulations. The ST2 model has an accessible liquid-liquid transition between low-density and…

Statistical Mechanics · Physics 2012-08-07 Peter H. Poole , Stephen R. Becker , Francesco Sciortino , Francis W. Starr

The relation between liquid-liquid phase transitions and waterlike density anomalies in core-softened potentials of fluids was investigated in an exactly solvable one dimensional lattice model and a in a three dimensional fluid with…

Soft Condensed Matter · Physics 2015-03-11 Marco Aurélio A. Barbosa , Evy Salcedo , Marcia Barbosa

Using Monte Carlo simulations a lattice gas model with only repulsive interactions was checked for the presence of anomalies. We show that this system exhibits the density (temperature of maximum density - TMD) and diffusion anomalies as…

Statistical Mechanics · Physics 2016-11-25 Andressa A. Bertolazzo , Marcia C. Barbosa

We investigate the occurrence of waterlike thermodynamic and dynamic anomalous behavior in a one dimensional lattice gas model. The system thermodynamics is obtained using the transfer matrix technique and anomalies on density and…

Soft Condensed Matter · Physics 2015-03-11 Marco Aurélio A. Barbosa , Fernando Vito Barbosa , Fernando Albuquerque de Oliveira

In this paper we investigate the solubility of a hard - sphere gas in a solvent modeled as an associating lattice gas (ALG). The solution phase diagram for solute at 5% is compared with the phase diagram of the original solute free model.…

Statistical Mechanics · Physics 2012-05-10 Marcia M. Szortyka , Maurício Girardi , Vera B. Henriques , Marcia C. Barbosa

Through Monte Carlo simulations and the Associating Lattice Gas Model, the phases of a two-dimensional fluid under hydrophilic confinement are evaluated. The model, in its unconfined version, reproduces the anomalous behavior of water…

Fluids with competing short range attraction and long range repulsive interactions between the particles can exhibit a variety of microphase separated structures. We develop a lattice-gas (generalised Ising) model and analyse the phase…

Soft Condensed Matter · Physics 2016-01-20 Blesson Chacko , Christopher Chalmers , Andrew J. Archer

The driven lattice gas (DLG) evolving at low temperature helps understanding the kinetics of pattern formation in unstable mixtures under anisotropic conditions. We here develop a simple theoretical description of kinetics in Monte Carlo…

Statistical Mechanics · Physics 2009-11-10 Pablo I. Hurtado , J. Marro , Pedro L. Garrido , E. V. Albano

Liquid-gas phase coexistence in a boundary-driven diffusive system is studied by analyzing fluctuating hydrodynamics of a density field defined on a one-dimensional lattice with a space interval $\Lambda$. When an interface width $\ell$ is…

Statistical Mechanics · Physics 2024-11-28 Shin-ichi Sasa , Naoko Nakagawa

The periodic Lorentz gas is a paradigmatic model to examine how macroscopic transport emerges from microscopic chaos. It consists of a triangular lattice of circular hard scatterers with a moving point particle. Recently this system became…

Statistical Mechanics · Physics 2019-05-30 S. Gil-Gallegos , R. Klages , J. Solanpää , E. Räsänen
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