Related papers: Liquid Polymorphism and Double Criticality in a La…
Much attention has been devoted to water's metastable phase behavior, including polyamorphism (multiple amorphous solid phases), and the hypothesized liquid-liquid transition and associated critical point. However, the possible relationship…
The standard lattice Boltzmann equation (LBE) method usually fails to capture the physical equilibrium state of a two-phase fluid system, i.e., zero velocity and constant chemical potential. Consequently, spurious velocities and…
Glass-forming liquids have been extensively studied in recent decades, but there is still no theory that fully describes these systems, and the diversity of treatments is in itself a barrier to understanding. Here we introduce a new simple…
In this paper we introduce a modified lattice Boltzmann model (LBM) with the capability of mimicking a fluid system with dynamic heterogeneities. The physical system is modeled as a one-dimensional fluid, interacting with finite-lifetime…
We have studied the breakup and subsequent fluid flow in very thin films of partially wetting liquid on solid substrates, using molecular dynamics simulations. The liquid is made of short chain molecules interacting with Lennard-Jones…
The approach of global isomorphism between the fluid and the Ising model is applied to obtain an expression for the surface tension of the Lennard-Jones fluid on the basis of the information about the Ising model. This is done in a broad…
The dynamics of dry active matter have implications for a diverse collection of biological phenomena spanning a range of length and time scales, such as animal flocking, cell tissue dynamics, and swarming of inserts and bacteria. Uniting…
We use molecular dynamics simulations in two dimensions to investigate the possibility that a core-softened potential can reproduce static and dynamic anomalies found experimentally in liquid water: (i) the increase in specific volume upon…
A thermodynamic approach to derive the liquid-glass transition line in the reduced temperature vs reduced density plane for a monatomic Lennard-Jones fluid is presented. The approach makes use of a recent reformulation of the classical…
A theoretical analysis of Coulomb systems on lattices in general dimensions is presented. The thermodynamics is developed using Debye-Huckel theory with ion-pairing and dipole-ion solvation, specific calculations being performed for 3D…
A two-temperature lattice gas model with repulsive nearest-neighbour interactions is studied using Monte Carlo simulations and dynamical mean-field approximation. The evolution of the two-dimensional, half-filled system is described by an…
This study deals with a simple pure fluid whose temperature is slightly below its critical temperature and whose density is nearly critical, so that the gas and liquid phases coexist. Under equilibrium conditions, such a liquid completely…
We present a model based on the lattice Boltzmann equation that is suitable for the simulation of dynamic wetting. The model is capable of exhibiting fundamental interfacial phenomena such as weak adsorption of fluid on the solid substrate…
We derive a Hamiltonian for a two-leg ladder which includes an arbitrary number of charge and spin interactions. To illustrate this Hamiltonian we consider two examples and use a renormalization group technique to evaluate the ground state…
In this thesis, I study a two-dimensional extended Hubbard model in the weak coupling limit. Quite generally, the electron gas is unstable towards a superconducting state even in the absence of phonons. However in the special case of a…
Water is an associated liquid in which the main intermolecular interaction is the hydrogen bond (HB) which is limited to four per atom, independently of the number of neighbours. We have considered a hydrogen bond net superposed on Bernal's…
It has been hypothesized that liquid polyamorphism, the existence of multiple amorphous states in a single component substance, may be caused by molecular or supramolecular interconversion. A simple microscopic model [Caupin and Anisimov,…
We use numerical simulation to examine the possibility of a reversible liquid-liquid transition in supercooled water and related systems. In particular, for two atomistic models of water, we have computed free energies as functions of…
Numerical analysis of a shear layer between a cool liquid n-decane hydrocarbon and a hot oxygen gas at supercritical pressures shows that a well-defined phase equilibrium can be established. Variable properties are considered with the…
We develop a procedure for detecting Fermi liquid instabilities by extending the analysis of Pomeranchuk to two-dimensional lattice systems. The method is very general and straightforward to apply, thus providing a powerful tool for the…