Related papers: Phase Behavior of Short Range Square Well Model
We study the liquid-vapor phase diagram and the structural properties of discrete potential fluids by means of Gibbs ensemble simulations and integral equations theory. We consider three discrete fluids, namely, the square well (SW), the…
We restudy the phase diagram of the 2D-Ising model with competing interactions $J_1$ on nearest neighbour and $J_2$ on next-nearest neighbour bonds via Monte-Carlo simulations. We present the finite temperature phase diagram and introduce…
We have used the variational and diffusion quantum Monte Carlo methods to calculate the energy, pair correlation function, static structure factor, and momentum density of the ground state of the two-dimensional homogeneous electron gas. We…
Critical and in the highly frustrated regime also dynamical properties of the $J_1-J_2$ Ising model with competing nearest-neighbor $J_1$ and second-nearest-neighbor $J_2$ interactions on a honeycomb lattice are investigated by standard…
Using grand canonical Monte Carlo simulations, we investigate the percolation behavior of a square well fluid with an ultra-short range of attraction in three dimension (3D) and in confined geometry. The latter is defined through two…
Soft-core attractive potentials can give rise to a phase diagram with three fluid phases at different densities (gas, low-density liquid and high-density liquid), separated by first order phase transition lines ending in critical points.…
We present a quantitative comparison between extensive Monte Carlo simulations and self-consistent field calculations on the phase diagram and wetting behavior of a symmetric, binary (AB) polymer blend confined into a film. The flat walls…
Liquid water has anomalous liquid properties, such as its density maximum at 4\degree C. An attempt at theoretical explanation proposes a liquid-liquid phase transition line in the supercooled liquid state, with coexisting low-density (LDL)…
We propose a simple Monte Carlo method to calculate the interfacial free energy between the substrate and the material. Using this method we investigate the interfacial free energys of the hard sphere fluid and solid phases near a smooth…
We report a quantum Monte Carlo study of the phase transition between antiferromagnetic and valence-bond solid ground states in the square-lattice $S=1/2$ $J$-$Q$ model. The critical correlation function of the $Q$ terms gives a scaling…
Monte Carlo simulations and finite-size scaling analysis have been carried out to study the critical behavior in a two-dimensional system of particles with two bonding sites that, by decreasing temperature or increasing density, polymerize…
We study the special point in the phase diagram of a semi-infinite system, where the bulk transition is in the three-dimensional Ising universality class. To this end we perform a finite size scaling study of the improved Blume-Capel model…
In this paper we discuss recent progress in using the Camassa-Holm equations to model turbulent flows. The Camassa-Holm equations, given their special geometric and physical properties, appear particularly well suited for studying turbulent…
We present a way to visualize and quantify renormalization group flows in a space of observables computed using Monte Carlo simulations. We apply the method to classical three-dimensional clock models, i.e., the planar (XY) spin model…
Square water takes into account the directionality of hydrogen bonds. The model is reviewed and its properties as a solvent for apolar particles are studied through Monte Carlo simulations. Specific heat measurements are used to identify…
Large scale molecular dynamics (MD) simulations on two-phase immiscible flows show that associated with the moving contact line, there is a very large $1/x$ partial-slip region where $x$ denotes the distance from the contact line. This…
Structure and thermodynamics of crystalline membranes are characterized by the long wavelength behavior of the normal-normal correlation function G(q). We calculate G(q) by Monte Carlo and Molecular Dynamics simulations for a quasi-harmonic…
Monte Carlo simulations within the grand canonical ensemble are used to obtain the joint distribution of density and energy fluctuations $p_L(\rho,u)$ for two model fluids: a decorated lattice gas and a polymer system. In the near critical…
Specialized Monte Carlo simulations and the moment free energy (MFE) method are employed to study liquid-gas phase equilibria in size-disperse fluids. The investigation is made subject to the constraint of fixed polydispersity, i.e. the…
We study, by using liquid-state theories and Monte Carlo simulation, the behavior of systems of classical particles interacting through a finite pair repulsion supplemented with a longer range attraction. Any such potential can be driven…