Universality in adsorbate ordering on nanotube surfaces

Numerically efficient transfer matrix technique for studying statistics of coherent adsorbates on small nanotubes has been developed. In the framework of a realistic microscopic model fitted to the data of ab initio calculations taken from literature sources, the ordering of potassium adsorbate on (6,0) single-walled carbon nanotube has been studied. Special attention has been payed to the phase transition-like abrupt changes seen in the adsorption isotherms at low temperature. It has been found that the behavior during the transitions conforms with the universality hypothesis of the theory of critical phenomena and is qualitatively the same as in the one dimensional Ising model. Quantitatively the critical behavior can be fully described by two parameters. Their qualitative connection with the properties of interphase boundaries is suggested but further research is needed to develop a quantitative theory.Comment: 11 pages, 6 figures; some typos correcte

On the rate of convergence for critical crossing probabilities

For the site percolation model on the triangular lattice and certain generalizations for which Cardy’s Formula has been established we acquire a power law estimate for the rate of convergence of the crossing probabilities to Cardy’s Formula

The evolution with temperature of magnetic polaron state in an antiferromagnetic chain with impurities

The thermal behavior of a one-dimensional antiferromagnetic chain doped by donor impurities was analyzed. The ground state of such a chain corresponds to the formation of a set of ferromagnetically correlated regions localized near impurities (bound magnetic polarons). At finite temperatures, the magnetic structure of the chain was calculated simultaneously with the wave function of a conduction electron bound by an impurity. The calculations were performed using an approximate variational method and a Monte Carlo simulation. Both these methods give similar results. The analysis of the temperature dependence of correlation functions for neighboring local spins demonstrated that the ferromagnetic correlations inside a magnetic polaron remain significant even above the N\'eel temperature $T_N$ implying rather high stability of the magnetic polaron state. In the case when the electron-impurity coupling energy $V$ is not too high (for $V$ lower that the electron hopping integral $t$), the magnetic polaron could be depinned from impurity retaining its magnetic structure. Such a depinning occurs at temperatures of the order of $T_N$. At even higher temperatures ($T \sim t$) magnetic polarons disappear and the chain becomes completely disordered.Comment: 17 pages, 5 figures, RevTe

Does Young's equation hold on the nanoscale? A Monte Carlo test for the binary Lennard-Jones fluid

When a phase-separated binary ($A+B$) mixture is exposed to a wall, that preferentially attracts one of the components, interfaces between A-rich and B-rich domains in general meet the wall making a contact angle $\theta$. Young's equation describes this angle in terms of a balance between the $A-B$ interfacial tension $\gamma_{AB}$ and the surface tensions $\gamma_{wA}$, $\gamma_{wB}$ between, respectively, the $A$- and $B$-rich phases and the wall, $\gamma _{AB} \cos \theta =\gamma_{wA}-\gamma_{wB}$. By Monte Carlo simulations of bridges, formed by one of the components in a binary Lennard-Jones liquid, connecting the two walls of a nanoscopic slit pore, $\theta$ is estimated from the inclination of the interfaces, as a function of the wall-fluid interaction strength. The information on the surface tensions $\gamma_{wA}$, $\gamma_{wB}$ are obtained independently from a new thermodynamic integration method, while $\gamma_{AB}$ is found from the finite-size scaling analysis of the concentration distribution function. We show that Young's equation describes the contact angles of the actual nanoscale interfaces for this model rather accurately and location of the (first order) wetting transition is estimated.Comment: 6 pages, 6 figure

Many-body position operator in lattice fermionic systems with periodic boundary conditions

A total position operator $X$ in the position representation is derived for lattice fermionic systems with periodic boundary conditions. The operator is shown to be Hermitian, the generator of translations in momentum space, and its time derivative is shown to correspond to the total current operator in a periodic system. The operator is such that its moments can be calculated up to any order. To demonstrate its utility finite size scaling is applied to the Brinkman-Rice transition as well as metallic and insulating Gutzwiller wavefunctions.Comment: to appear in Journal of Physics A: Mathematical and General (reference will be added later

Percolation in the Harmonic Crystal and Voter Model in three dimensions

We investigate the site percolation transition in two strongly correlated systems in three dimensions: the massless harmonic crystal and the voter model. In the first case we start with a Gibbs measure for the potential, $U=\frac{J}{2} \sum_{} (\phi(x) - \phi(y))^2$, $x,y \in \mathbb{Z}^3$, $J > 0$ and $\phi(x) \in \mathbb{R}$, a scalar height variable, and define occupation variables $\rho_h(x) =1,(0)$ for $\phi(x) > h (<h)$. The probability $p$ of a site being occupied, is then a function of $h$. In the voter model we consider the stationary measure, in which each site is either occupied or empty, with probability $p$. In both cases the truncated pair correlation of the occupation variables, $G(x-y)$, decays asymptotically like $|x-y|^{-1}$. Using some novel Monte Carlo simulation methods and finite size scaling we find accurate values of $p_c$ as well as the critical exponents for these systems. The latter are different from that of independent percolation in $d=3$, as expected from the work of Weinrib and Halperin [WH] for the percolation transition of systems with $G(r) \sim r^{-a}$ [A. Weinrib and B. Halperin, Phys. Rev. B 27, 413 (1983)]. In particular the correlation length exponent $\nu$ is very close to the predicted value of 2 supporting the conjecture by WH that $\nu= \frac{2}{a}$ is exact.Comment: 8 figures. new version significantly different from the old one, includes new results, figures et

Ferromagnetic phase transition in a Heisenberg fluid: Monte Carlo simulations and Fisher corrections to scaling

The magnetic phase transition in a Heisenberg fluid is studied by means of the finite size scaling (FSS) technique. We find that even for larger systems, considered in an ensemble with fixed density, the critical exponents show deviations from the expected lattice values similar to those obtained previously. This puzzle is clarified by proving the importance of the leading correction to the scaling that appears due to Fisher renormalization with the critical exponent equal to the absolute value of the specific heat exponent $\alpha$. The appearance of such new corrections to scaling is a general feature of systems with constraints.Comment: 12 pages, 2 figures; submitted to Phys. Rev. Let

In vivo detection of cortical optical changes associated with seizure activity with optical coherence tomography.

The most common technology for seizure detection is with electroencephalography (EEG), which has low spatial resolution and minimal depth discrimination. Optical techniques using near-infrared (NIR) light have been used to improve upon EEG technology and previous research has suggested that optical changes, specifically changes in near-infrared optical scattering, may precede EEG seizure onset in in vivo models. Optical coherence tomography (OCT) is a high resolution, minimally invasive imaging technique, which can produce depth resolved cross-sectional images. In this study, OCT was used to detect changes in optical properties of cortical tissue in vivo in mice before and during the induction of generalized seizure activity. We demonstrated that a significant decrease (P &lt; 0.001) in backscattered intensity during seizure progression can be detected before the onset of observable manifestations of generalized (stage-5) seizures. These results indicate the feasibility of minimally-invasive optical detection of seizures with OCT