Coherent structures and their influence on the dynamics of aeroelastic panels

A panel forced by a supersonic unsteady flow is numerically investigated using a finite difference method, a Galerkin approach, and proper orthogonal decomposition (POD). The aeroelastic model investigated is based on piston theory for modeling the flow-induced forces, and von Karman plate theory for modeling the panel. Structural non-linearity is considered, and it is due to the non-linear coupling between bending and stretching. Several novel facets of behavior are explored, and key aspects of using a Galerkin method for modeling the dynamics of the panel exhibiting limit cycle oscillations and chaos are investigated. It is shown that multiple limit cycles may co-exist, and they are both symmetric and asymmetric. Furthermore, the level of spatial coherence in the dynamics is estimated by means of POD. Reduced order models for the dynamics are constructed. The sensitivity to initial conditions of the non-linear aeroelastic system in the chaotic regime limits the capability of the reduced order models to identically model the time histories of the system. However, various global characteristics of the dynamics, such as the main attractor governing the dynamics, are accurately predicted by the reduced order models. For the case of limit cycle oscillations and stable buckling, the reduced order models are shown to be accurate and robust to parameter variations.     

Effective Field Theory Description of the Higher Dimensional Quantum Hall Liquid

We derive an effective topological field theory model of the four dimensional quantum Hall liquid state recently constructed by Zhang and Hu. Using a generalization of the flux attachment transformation, the effective field theory can be formulated as a U(1) Chern–Simons theory over the total configuration space CP₃, or as a SU(2) Chern–Simons theory over S⁴. The new quantum Hall liquid supports various types of topological excitations, including the 0-brane (particles), the 2-brane (membranes), and the 4-brane. There is a topological phase interaction among the membranes which generalizes the concept of fractional statistics.     

Decomposition of Chloromethanes in Gliding Discharges

Gliding discharge plasma was used for decomposition of tetrachloromethane and trichloromethane. Air containing 8000 ppm or 20 ppm of water vapor was the carrier gas. The course and yield of the process were studied as a function of initial concentration of tetrachloromethane and trichloromethane, gas flow rate, and water vapor content. The conversion was high in all cases—it reached 90% for tetrachloromethane and 100% for trichloromethane. The conversion rate of the chloromethane compounds increased with increasing initial concentration of these compounds in the reaction mixture. Changing the water vapor content in the reaction mixture from 20 ppm to 8000 ppm increased the conversion rate of chloromethanes.     

Hyper-Hermitian Quaternionic Kähler Manifolds

We call a quaternionic Kähler manifold with nonzero scalar curvature, whosequaternionic structure is trivialized by a hypercomplex structure, ahyper-Hermitian quaternionic Kähler manifold. We prove that every locallysymmetric hyper-Hermitian quaternionic Kähler manifold is locally isometricto the quaternionic projective space or to the quaternionic hyperbolic space.We describe locally the hyper-Hermitian quaternionic Kähler manifolds withclosed Lee form and show that the only complete simply connected suchmanifold is the quaternionic hyperbolic space.     

New definition for the hadronic contribution to the muon anomalous magnetic moment

A new definition is proposed for the hadronic contribution to the muon anomalous magnetic moment that is based on the inclusion of the effects of vacuum polarization by leptons into the cross section for one-photon annihilation of a lepton pair into hadrons. The formula for the hadronic contribution includes the convolution of the measured cross section for annihilation into hadrons with a certain standard function. This remark concerns radiative correction to this function. A particular form has been proposed for this correction. It has been shown that the use of the new function makes it possible to reduce the uncertainty in such contributions due to radiative correctioins to δa _h/a _h ～ 10^?4.     

Fluorescence Study of Sinapic Acid Interaction with Bovine Serum Albumin and Egg Albumin

The mechanism of interaction of protein with compounds used for preparation of matrices for matrix-assisted laser desorption ionization–mass spectrometry (MALDI-MS) methods is unknown. This paper reports the investigation of this mechanism for sinapic acid and bovine serum albumin and egg albumin. To examine these interactions in water a fluorescence method was applied. Sinapic acid can exist in three different forms, depending on pH: undissociated and with one or two deprotonated groups. pK_as of these states are: 4.47 for the COOH group and 9.21 for the OH group [1]. Therefore the interactions were examined at pH: 2.0, 6.4, and 10.5. The results show that sinapic acid at pH 10.5, being a bivalent anion, does not form any complex with these two proteins. At pH 2.0, sinapic acid, being undissociated, interacts weakly with egg albumin. Sinapic acid does not interact with bovine serum albumin at this pH. At pH 6.4, sinapic acid interacts only with bovine serum albumin. Parameters of the sinapic acid and bovine serum albumin complex were calculated based on the theory of multiple equlibria: the total number of binding sites, N = 15; the binding constant, K = 600 M ^–1; and the Hill's coefficient, j = 0.97. These parameters indicate (but not definitively because a large saturation was not obtained) that this is a simple binding of sinapic acid to bovine serum albumin with the binding sites of the same type.     

Halogen aggregation in chlorobenzene-<Emphasis Type="Italic">o</Emphasis>-dichlorobenzene solutions

The chlorobenzene (CB)–o-dichlorobenzene (o-DCB) liquid system has been studied by classical molecular dynamics simulation over the entire range of concentrations. The structure of the solutions is characterized by using radial angular distribution functions for the distances between the planes of benzene rings and the angle between them, using radial distribution functions for the distances between chlorine atoms, and by calculating the self-diffusion coefficients and local dipole moments. Halogen aggregation in the pure components and solutions is analyzed. It is found that in pure CB, chlorine aggregates consisting of four to ten molecules are most likely to form. The sizes of chlorine aggregates increase with increasing o-DCB concentration, and at a o-DCB concentration of 0.50-1.00 ppm, an extended system of chlorine–chlorine contacts is formed. In pure o-DCB, the chlorine aggregation system includes 99% of the molecules of the simulated system. The agglomeration of solute molecules in the range of dilute solutions (x < 0.1 ppm) is investigated.     

Reduction of carbon dioxide by hydrogen on metal–carbon catalysts under supercritical conditions

The reduction of carbon dioxide with hydrogen on metal–carbon (Ru, Rh, Ir) catalysts is investigated under supercritical conditions for the first time. High selectivity (close to 100%) toward methanation with good stability of catalytic activity is observed for Ru- and Rh-containing catalyst, while the preferred reduction to CO is observed for Ir/C catalyst.     

Deactivation of a mixed oxide catalyst of Mo–V–Te–Nb–O composition in the reaction of oxidative ethane dehydrogenation

The operational stability of a mixed oxide catalyst of Mo–V–Te–Nb–O composition in the oxidative dehydrogenation of ethane (ratio of C₂H₆: O₂ = 3: 1) is studied in a flow reactor at temperatures of 340–400°C, a pressure of 1 atm, and a WHSV of the feed mixture of 800 h^?1. It is found that the selectivity toward ethylene is 98% at 340°C, but the conversion of ethane at this temperature is only 6%; when the temperature is raised to 400°C, the conversion of ethane is increased to 37%, while the selectivity toward ethylene is reduced to 85%. Using physical and chemical means (XPS, SEM), it is found that the lack of oxidant in the reaction mixture leads to irreversible changes in the catalyst, i.e., reduced selectivity and activity. Raising the reaction temperature to 400°C allows the reduction of tellurium by ethane, from the +6 oxidation state to the zerovalent state, with its subsequent sublimation and the destruction of the catalytically active and selective phase; in its characteristics, the catalyst becomes similar to the Mo–V–Nb–O system containing no tellurium.     

Prediction of cyclohexane-water distribution coefficients for the SAMPL5 data set using molecular dynamics simulations with the OPLS-AA force field

All-atom molecular dynamics simulations were used to predict water-cyclohexane distribution coefficients \(D_{cw}\) of a range of small molecules as part of the SAMPL5 blind prediction challenge. Molecules were parameterized with the transferable all-atom OPLS-AA force field, which required the derivation of new parameters for sulfamides and heterocycles and validation of cyclohexane parameters as a solvent. The distribution coefficient was calculated from the solvation free energies of the compound in water and cyclohexane. Absolute solvation free energies were computed by an established protocol using windowed alchemical free energy perturbation with thermodynamic integration. This protocol resulted in an overall root mean square error in \(\log D_{cw}\) of almost 4 log units and an overall signed error of ?3 compared to experimental data. There was no substantial overall difference in accuracy between simulating in NVT and NPT ensembles. The signed error suggests a systematic error but the experimental \(D_{cw}\) data on their own are insufficient to uncover the source of this error. Preliminary work suggests that the major source of error lies in the hydration free energy calculations.