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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 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 propose a model for a two dimensional, associative water-like lattice gas with one single variable representing both long and short-range interactions. The corresponding hamiltonian was solved exactly, by state enumeration in a finite…

Statistical Mechanics · Physics 2011-11-21 Marcelo R. Thielo , Marcia C. B. Barbosa

We study binary mixtures of hard particles, which exclude up to their $k$th nearest neighbors ($k$NN) on the simple cubic lattice and have activities $z_k$. In the first model analyzed, point particles (0NN) are mixed with 1NN ones. The…

Soft Condensed Matter · Physics 2019-09-11 Nathann T. Rodrigues , Tiago J. Oliveira

We investigate a minimal model for non-crystalline water, defined on a Husimi lattice. The peculiar random-regular nature of the lattice is meant to account for the formation of a random 4-coordinated hydrogen-bond network. The model turns…

Soft Condensed Matter · Physics 2015-05-19 Andrea Pagnani , Marco Pretti

Although lattice gases composed by $k$NN particles, forbidding up to their $k$th nearest neighbors of being occupied, have been widely investigated in literature, the location and the universality class of the fluid-columnar transition in…

Statistical Mechanics · Physics 2021-03-31 Nathann T. Rodrigues , Tiago J. Oliveira

While the realistically modeling of the thermodynamic behavior of fluids usually demands elaborated atomistic models, much have been learned from simplified ones. Here, we investigate a model where point-like particles (with activity $z_0$)…

Soft Condensed Matter · Physics 2019-07-15 Nathann T. Rodrigues , Tiago J. Oliveira

Phase boundaries in p-T and p-V diagrams are essential in material science researches. Exact analytic knowledge about such phase boundaries are known so far only in two-dimensional (2D) Ising-like models, and only for cases with two phases.…

Statistical Mechanics · Physics 2013-07-16 B. B. Wei , C. N. Yang

In this paper we analyse both the dynamics and the high density physics of the infinite dimensional lattice gas model for random heteropolymers recently introduced in \cite{jort}. Restricting ourselves to site-disordered heteropolymers, we…

Disordered Systems and Neural Networks · Physics 2009-11-07 H. Chakravorty , J. van Mourik , A. C. C. Coolen

The Bell-Lavis model for liquid water is investigated through numerical simulations. The lattice-gas model on a triangular lattice presents orientational states and is known to present a highly bonded low density phase and a loosely bonded…

Statistical Mechanics · Physics 2015-05-13 Carlos E. Fiore , Marcia Szortyka , Marcia C. Barbosa , Vera B. Henriques

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

The adsorbed atoms exhibit tendency to occupy a triangular lattice formed by periodic potential of the underlying crystal surface. Such a lattice is formed by, e.g., a single layer of graphane or the graphite surfaces as well as (111)…

Strongly Correlated Electrons · Physics 2021-05-05 Konrad Jerzy Kapcia

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

We describe in detail a recently proposed lattice-Boltzmann model for simulating flows with multiple phases and components. In particular, the focus is on the modeling of one-component fluid systems which obey non-ideal gas equations of…

comp-gas · Physics 2009-10-22 Xiaowen Shan , Hudong Chen

Athermal lattice gases of particles with first neighbor exclusion have been studied for a long time as simple models exhibiting a fluid-solid transition. At low concentration the particles occupy randomly both sublattices, but as the…

Statistical Mechanics · Physics 2011-11-10 T. J. Oliveira , J. F. Stilck

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.…

Soft Condensed Matter · Physics 2009-11-10 M. Pretti , C. Buzano

We study correlated phases occurring in the flat lowest band of the dice lattice model at flux density one half. We discuss how to realize the dice lattice model, also referred to as the T_3 lattice, in cold atomic gases. We construct the…

Mesoscale and Nanoscale Physics · Physics 2012-01-26 Gunnar Moller , Nigel R. Cooper

We introduce an extension of the lattice model of melting of semiflexible polymers originally proposed by Flory. Along with a bending penalty, present in the original model and involving three sites of the lattice, we introduce an…

Soft Condensed Matter · Physics 2009-11-10 Andrea Corsi , P. D. Gujrati

We study dynamics of a phase boundary in a one-dimensional lattice gas, which is initially put into a non-equilibrium configuration and then is let to evolve in time by particles performing nearest-neighbor random walks constrained by…

Statistical Mechanics · Physics 2007-05-23 G. Oshanin , J. De Coninck , M. Moreau , S. F. Burlatsky

We investigate the non-equilibrium stationary state of a translationally invariant one-dimensional driven lattice gas with short-range interactions. The phase diagram is found to exhibit a line of continuous transitions from a disordered…

Statistical Mechanics · Physics 2009-10-31 Dirk Helbing , David Mukamel , Gunter M. Schutz
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