An Analysis of the Quasicontinuum Method

The aim of this paper is to present a streamlined and fully three-dimensional version of the quasicontinuum (QC) theory of Tadmor et al. and to analyze its accuracy and convergence characteristics. Specifically, we assess the effect of the summation rules on accuracy; we determine the rate of convergence of the method in the presence of strong singularities, such as point loads; and we assess the effect of the refinement tolerance, which controls the rate at which new nodes are inserted in the model, on the development of dislocation microstructures.Comment: 30 pages, 16 figures. To appear in Jornal of the Mechanics and Physics of Solid

Liquid State Anomalies for the Stell-Hemmer Core-Softened Potential

We study the Stell-Hemmer potential using both analytic (exact $1d$ and approximate $2d$) solutions and numerical $2d$ simulations. We observe in the liquid phase an anomalous decrease in specific volume and isothermal compressibility upon heating, and an anomalous increase in the diffusion coefficient with pressure. We relate the anomalies to the existence of two different local structures in the liquid phase. Our results are consistent with the possibility of a low temperature/high pressure liquid-liquid phase transition.Comment: 4 pages in one gzipped ps file including 11 figures; One RevTex and 11 gzipped eps figure

Matter Wave Scattering and Guiding by Atomic Arrays

We investigate the possibility that linear arrays of atoms can guide matter waves, much as fiber optics guide light. We model the atomic line as a quasi-1D array of s wave point scatterers embedded in 2D. Our theoretical study reveals how matter wave guiding arises from the interplay of scattering phenomena with bands and conduction along the array. We discuss the conditions under which a straight or curved array of atoms can guide a beam focused at one end of the array.Comment: Submitted to Phys. Rev.

On the equation of state of a dense columnar liquid crystal

An accurate description of a columnar liquid crystal of hard disks at high packing fractions is presented using an improved free-volume theory. It is shown that the orientational entropy of the disks in the one-dimensional fluid direction leads to a different high-density scaling pressure compared to the prediction from traditional cell theory. Excellent quantitative agreement is found with recent Monte-Carlo simulation results for various thermodynamic and structural properties of the columnar state.Comment: 4 pages, 2 figures, to appear in Phys. Rev. Let

Driven Morse Oscillator: Model for Multi-photon Dissociation of Nitrogen Oxide

Within a one-dimensional semi-classical model with a Morse potential the possibility of infrared multi-photon dissociation of vibrationally excited nitrogen oxide was studied. The dissociation thresholds of typical driving forces and couplings were found to be similar, which indicates that the results were robust to variations of the potential and of the definition of dissociation rate. PACS: 42.50.Hz, 33.80.WzComment: old paper, 8 pages 6 eps file

Molecular Dynamic Simulation of Water Vapor and Determination of Diffusion Characteristics in the Pore

One of the varieties of pores, often found in natural or artificial building materials, are the so-called blind pores of dead-end or saccate type. Three-dimensional model of such kind of pore has been developed in this work. This model has been used for simulation of water vapor interaction with individual pore by molecular dynamics in combination with the diffusion equation method. Special investigations have been done to find dependencies between thermostats implementations and conservation of thermodynamic and statistical values of water vapor – pore system. The two types of evolution of water – pore system have been investigated: drying and wetting of the pore. Full research of diffusion coefficient, diffusion velocity and other diffusion parameters has been made

A new parametric equation of state and quark stars

It is still a matter of debate to understand the equation of state of cold supra-nuclear matter in compact stars because of unknown on-perturbative strong interaction between quarks. Nevertheless, it is speculated from an astrophysical view point that quark clusters could form in cold quark matter due to strong coupling at realistic baryon densities. Although it is hard to calculate this conjectured matter from first principles, one can expect the inter-cluster interaction to share some general features to nucleon-nucleon interaction. We adopt a two-Gaussian component soft-core potential with these general features and show that quark clusters can form stable simple cubic crystal structure if we assume Gaussian form wave function. With this parameterizing, Tolman-Oppenheimer-Volkoff equation is solved with reasonable constrained parameter space to give mass-radius relation of crystalline solid quark star. With baryon densities truncated at 2 times nuclear density at surface and range of interaction fixed at 2fm we can reproduce similar mass-radius relation to that obtained with bag model equations of state. The maximum mass ranges from about 0.5 to 3 solar mass. Observed maximum pulsar mass (about 2 solar mass) is then used to constrain parameters of this simple interaction potential.Comment: 5 pages, 2 figure

The effects of psilocybin on cognitive and emotional functions in healthy participants : Results from a phase 1, randomised, placebo-controlled trial involving simultaneous psilocybin administration and preparation

Background: Psilocybin, a psychoactive serotonin receptor partial agonist, has been reported to acutely reduce clinical symptoms of depressive disorders. Psilocybin's effects on cognitive function have not been widely or systematically studied. Aim: The aim of this study was to explore the safety of simultaneous administration of psilocybin to healthy participants in the largest randomised controlled trial of psilocybin to date. Primary and secondary endpoints assessed the short- and longer-term change in cognitive functioning, as assessed by a Cambridge Neuropsychological Test Automated Battery (CANTAB) Panel, and emotional processing scales. Safety was assessed via endpoints which included cognitive function, assessed by CANTAB global composite score, and treatment-emergent adverse event (TEAE) monitoring. Methods: In this phase 1, randomised, double-blind, placebo-controlled study, healthy participants (n=89; mean age 36.1 years; 41 females, 48 males) were randomised to receive a single oral dose of 10 or 25 mg psilocybin, or placebo, administered simultaneously to up to six participants, with one-to-one psychological support - each participant having an assigned, dedicated therapist available throughout the session. Results: In total, 511 TEAEs were reported, with a median duration of 1.0 day; 67% of all TEAEs started and resolved on the day of administration. There were no serious TEAEs, and none led to study withdrawal. There were no clinically relevant between-group differences in CANTAB global composite score, CANTAB cognitive domain scores, or emotional processing scale scores. Conclusions: These results indicate that 10 mg and 25 mg doses of psilocybin were generally well tolerated when given to up to six participants simultaneously and did not have any detrimental short- or long-term effects on cognitive functioning or emotional processing.Peer reviewe

Casimir-Polder interaction between an excited atom and a gas dielectric medium

The Casimir-Polder potential for interaction between an excited atom and a ground-state one in the retarded case obtained with the help of perturbation technique drops as R^-2 with the distance between the atoms [E.A. Power, T.Thirunamachandran, Phys. Rev. A, 47, 2539 (1993)]. It results in diverdent integrals for interaction between an excited atom and a dilute gas medium. We investigate interaction between two atoms embedded in a dielectric medium with the help of non-perturbative approach. We take into account absorption of photons in the medium. This approach solves the problem of divergence. We consider interaction between an excited atom and a planar dielectric gas medium of ground-state atoms. We show that the retarded interaction between an excited atom and a gas of ground-state atoms is not oscillating but follows a simple power law. We show that to obtain coventional non-retarded expression for the van der Waals force between an excited atom and a dilute gas the distance between the atom and the interface should be much smaller than the free mean pass of a photon in the medium. Interaction between an excited atom and a hemisphere of ground-state atoms is considered.Comment: 23 pages, 6 figure