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Interplay of topology and competing interactions can induce new phases and phase transitions at finite temperatures. We consider a weakly coupled two-dimensional hexatic-nematic XY model with a relative $Z_3$ Potts degrees of freedom,and…
The statement that any phase transition is related to the appearance or disappearance of long-range spatial correlations precludes a finite transition temperature in one-dimensional (1D) systems. In this paper we demonstrate that the 1D…
We develop a multi order parameter mean-field formalism for systems of coupled quantum rotors. The scheme is developed to account for systems where {\it ortho-para} distinction is valid. We apply our formalism to solid H$_2$ and D$_2$. We…
We analyze the critical behaviour of the three-dimensional, three-state Potts model in the presence of an external ordering field. From a finite size scaling analysis on lattices of size up to 70**3 we determine the critical endpoint of the…
We investigate transition to the superconducting state in the ultrathin titanium nitride films on approach to superconductor-insulator transition. Building on the complete account of quantum contributions to conductivity, we demonstrate…
A Chern-Simons theory in 3D is accomplished by the so-called $\theta$-term in the action, $(\theta/2)\int F\wedge F$, which contributes only to observable effects on the boundaries of such a system. When electromagnetic radiation interacts…
We study a system of particles in two dimensions interacting via a dipolar long-range potential $D/r^3$ and subject to a square-lattice substrate potential $V({\bf r})$ with amplitude $V$ and lattice constant $b$. The isotropic interaction…
The first-order phase transitions in the lattice model of Janus-like particles confined in slit-like pores are studied. We assume a cubic lattice with molecules that can freely change their orientation on a lattice site. Moreover, the…
The phase behavior of fluids near weakly attractive substrates is studied by computer simulations of the coexistence curve of a Lennard-Jones (LJ) fluid confined in a slitlike pore. The temperature dependence of the density profiles of the…
The surface of a polar liquid presents a special environment for the solvation and organization of charged solutes, which differ from bulk behaviors in important ways. These differences have motivated many attempts to understand…
Phase transitions are key in determining and controlling the quantum properties of correlated materials. Here, by using the powerful combination of precise material synthesis and angle resolved photoelectron spectroscopy, we show evidence…
We implement a new and accurate numerical entropic scheme to investigate the first-order transition features of the triangular Ising model with nearest-neighbor ($J_{nn}$) and next-nearest-neighbor ($J_{nnn}$) antiferromagnetic interactions…
Phase-field simulation (PFS) have revolutionized the understanding of domain structure and switching behavior in ferroelectric thin films and ceramics. Generally, PFS is based on solution of a (set) of Ginzburg-Landau equations for a…
We present molecular dynamics simulations of a realistic model of an ultrathin film of BaTiO$_3$ sandwiched between short-circuited electrodes to determine and understand effects of film thickness, epitaxial strain and the nature of…
Monte Carlo methods are used to study the phase transition in ammonium chloride from the orientationally ordered $\delta$ phase to the orientationally disordered $\gamma$ phase. An effective pair potential is used to model the interaction…
We present a model to describe complex phases observed at mesoscopic scales in ultrathin magnetic films. The model is based on the interaction between dipolar as well as quadrupolar magnetic moments. In the special case of strong…
The interface between liquid water and the Pt(111) metal surface is characterized structurally and thermodynamically via reactive molecular dynamics (MD) simulations within the ReaxFF framework. The formation of a distinct buckled adsorbate…
We report results of long timescale adaptive kinetic Monte Carlo simulations aimed at identifying possible molecular reordering processes on both proton-disordered and ordered (Fletcher) basal plane (0001) surfaces of hexagonal ice. The…
Inspired by recent experiments on 3He films between one and two atoms thick, we consider a bilayer Hubbard model on a triangular lattice. Our results are obtained in the framework of a cluster dynamical mean-field calculation with a quantum…
We study conformational transitions of simple coarse-grained models for protein-like heteropolymers on the simple cubic lattice and off-lattice, respectively, by means of multicanonical sampling algorithms. The effective hydrophobic/polar…