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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…

统计力学 · 物理学 2009-11-11 Marcia M. Szortyka , Marcia C. Barbosa

Using Monte Carlo simulations we investigate some new aspects of the phase diagram and the behavior of the diffusion coefficient in an associating lattice gas (ALG) model on different regions of the phase diagram. The ALG model combines a…

软凝聚态物质 · 物理学 2015-05-13 Marcia M. Szortyka , Vera Henriques , Mauricio Girardi , Marcia C. Barbosa

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…

软凝聚态物质 · 物理学 2015-06-25 Mauricio Girardi , Aline L. Balladares , Vera B. Henriques , 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…

统计力学 · 物理学 2009-11-10 Vera B. Henriques , Marcia C Barbosa

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…

统计力学 · 物理学 2016-08-31 Alan B. de Oliveira , Marcia C. Barbosa

A two dimensional lattice gas model with ''core-softened'' potential is investigated. Two liquid phases and density anomaly are found. The demixing phase transition between the two liquid phases end at a tricritical point that is also the…

统计力学 · 物理学 2009-11-10 Aline Lopes Balladares , Marcia C. Barbosa

Using molecular dynamics simulations and integral equations (Rogers-Young, Percus-Yevick and hypernetted chain closures) we investigate the thermodynamic of particles interacting with continuous core-softened intermolecular potential.…

软凝聚态物质 · 物理学 2007-05-23 Alan B. de Oliveira , Paulo A. Netz , Thiago Colla , 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…

统计力学 · 物理学 2015-05-19 Marcia M. Szortyka , Carlos E. Fiore , Vera B. Henriques , 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…

统计力学 · 物理学 2021-12-16 Ingrid Ibagon , A. P. Furlan , T. J. Oliveira , Ronald Dickman

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…

统计力学 · 物理学 2016-11-25 Andressa A. Bertolazzo , Marcia C. Barbosa

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.…

统计力学 · 物理学 2012-05-10 Marcia M. Szortyka , Maurício Girardi , Vera B. Henriques , 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…

Using molecular dynamic simulations we study a waterlike model confined between two fixed hydrophobic plates. The system is tested for density, diffusion and structural anomalous behavior and compared with the bulk results. Within the range…

化学物理 · 物理学 2013-03-06 Leandro Batirolla Krott , Marcia Cristina Bernardes Barbosa

Diffusion-coagulation can be simply described by a dynamic where particles perform a random walk on a lattice and coalesce with probability unity when meeting on the same site. Such processes display non-equilibrium properties with strong…

统计力学 · 物理学 2018-03-13 L. Turban , J. -Y. Fortin

Using molecular dynamics we investigate the thermodynamics, dynamics and structure of 250 diatomic molecules interacting by a core-softened potential. This system exhibits thermodynamics, dynamics and structural anomalies: a maximum in…

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…

统计力学 · 物理学 2009-11-10 Pablo I. Hurtado , J. Marro , Pedro L. Garrido , E. V. Albano

We study dynamical heterogeneity and glassy dynamics in a kinetically constrained lattice gas model which has both translational and rotational degrees of freedom. We find that the rotational diffusion constant tracks the structural…

软凝聚态物质 · 物理学 2015-06-25 Albert C. Pan

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…

统计力学 · 物理学 2019-08-14 A. P. Furlan , Tiago J. Oliveira , Jürgen F. Stilck , Ronald Dickman

We study a kinetically constrained lattice glass model in which continuous local densities are randomly redistributed on neighbouring sites with a kinetic constraint that inhibits the process at high densities, and a random bias accounting…

无序系统与神经网络 · 物理学 2007-05-23 Eric Bertin , Jean-Philippe Bouchaud , Francois Lequeux

We study the relaxation process in a two-dimensional lattice gas model, where the interactions come from the excluded volume. In this model particles have three arms with an asymmetrical shape, which results in geometrical frustration that…

统计力学 · 物理学 2009-11-07 A. Diaz-Sanchez , Antonio de Candia , Antonio Coniglio
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