Accuracy of the chemical data evaluated from one-atom-at-a-time experiments

Studies of chemistry of the transactinoid elements, which are available only as single atoms, by gas (thermo)chromatographic techniques can provide the adsorption enthalpies of the atoms or molecules. These values serve the ultimate goal—to characterize bulk volatility of the species in terms like sublimation enthalpies. The paper attempts an in-depth discussion of the statistical significance of the adsorption enthalpies derived in such experiments. Usually, the counting statistics are very poor and one faces nonstandard problems in evaluating the confidence intervals for the values of parameters. Here, a most efficient way seems to be the Bayesian approach, realized, when necessary, by Monte Carlo simulations of the counting results. Necessarily, the adsorption enthalpy is not evaluated based on the second law of thermodynamics but through accepting an a priori value of the adsorption entropy. More additional assumptions about the mechanisms and parameters involved are needed. This may produce systematic errors in the quantitative conclusions; the analysis of some recent works with elements 106 and 108 corroborates this concern. Despite such problems, it is possible to reveal qualitative differences in the adsorption behavior of a transactinoid and its expected known congeners as well as to use chemistry for an independent assignment of the atomic numbers of transactinoid nuclides.     

Effect of Pressure on Fluid Damping in MEMS Torsional Resonators with Flow Ranging from Continuum to Molecular Regime

High quality factor of dynamic structures at micro and nano scale is exploited in various applications of micro electro-mechanical systems (MEMS) and nano electro-mechanical system. The quality factor of such devices can be very high in vacuum. However, when vacuum is not desirable or not possible, the tiny structures must vibrate in air or some other gas at pressure levels that may vary from atmospheric to low vacuum. The interaction of the surrounding fluid with the vibrating structure leads to dissipation, thus bringing down the quality factor. Depending on the ambient fluid pressure or the gap between the vibrating and the fixed structure, the fluid motion can range from continuum flow to molecular flow giving a wide range of dissipation. The relevant fluid flow characteristics are determined by the Knudsen number which is the ratio of the mean free path of the gas molecule to the characteristic flow length of the device. This number is very small for continuum flow and reasonably big for molecular flow. In this paper, we study the effect of fluid pressure on the quality factor by carrying out experiments on a MEMS device that consists of a double gimbaled torsional resonator. Such devices are commonly used in optical cross-connects and switches. We only vary fluid pressure to make the Knudsen number go through the entire range of continuum flow, slip flow, transition flow, and molecular flow. We experimentally determine the quality factor of the torsional resonator at different air pressures ranging from 760 Torr to 0.001 Torr. The variation of this pressure over six orders of magnitude ensures required rarefaction to range over all flow conditions. Finally, we get the variation of quality factor with pressure. The result indicates that the quality factor, Q, follows a power law, Q ∝P ^–r , with different values of the exponent r in different flow regimes. In the second part of the paper, we propose the use of effective viscosity for considering velocity slip conditions in solving Navier–Stokes equation numerically. This concept is validated with analytical results for a simple case and then compared with the experimental results presented in this paper. The study shows that the effective viscosity concept can be used effectively even for the molecular regime if the air-gap to length ratio is sufficiently small (h ₀/L<0.01). As this ratio increases, the range of validity decreases.     

Simulation of the instability of an accelerating gaseous envelope

The development of perturbations of the parameters of a dense gaseous envelope traveling with an acceleration driven by a difference in the pressures on either side is investigated numerically. Plane and axisymmetric time-dependent flows of a compressible medium are considered. The effect of both the density of the envelope and the form of the initial perturbations of its shape and motion on the mass cumulation in the compactions formed is studied. The evolutions of the perturbations of a layer and the surface of a contact discontinuity accelerated by an impinging plane shock wave are compared.     

Dispersion modeling by kinematic simulation: Cloud dispersion model

A new technique has been developed to compute mean and fluctuating concentrations in complex turbulent flows (tidal current near a coast and deep ocean). An initial distribution of material is discretized into any small clouds which are advected by a combination of the mean flow and large scale turbulence. The turbulence can be simulated either by kinematic simulation (KS) or direct numerical simulation. The clouds also diffuse relative to their centroids; the statistics for this are obtained from a separate calculation of the growth of individual clouds in small scale turbulence, generated by KS. The ensemble of discrete clouds is periodically re-discretized, to limit the size of the small clouds and prevent overlapping. The model is illustrated with simulations of dispersion in uniform flow, and the results are compared with analytic, steady state solutions. The aim of this study is to understand how pollutants disperses in a turbulent flow through a numerical simulation of fluid particle motion in a random flow field generated by Fourier modes. Although this homogeneous turbulent is rather a “simple” flow, it represents a building block toward understanding pollutant dispersion in more complex flow. The results presented here are preliminary in nature, but we expect that similar qualitative results should be observed in a genuine turbulent flow.     

Two Stage Solid Phase Extraction with Subsequent HPLC Isolation for Structure Elucidation of Major Metabolites of (+)-(R)-2-{3-(benzo[1,4]dioxan-2-yl-methylamino)-1-propyl}-3(2H)-pyridazinone (GYKI-16084)

GYKI-16084 – (+)-(R)-2-{3-(benzo[1,4]dioxan-2-yl-methylamino)-1-propyl}-3(2H)-pyridazinone hydrochloride – is a new drug candidate for the treatment of benign prostatic hyperplasia. In our study the major metabolites formed in the rat and dog were isolated from dog and rat urine, then their structures were elucidated by means of MS and NMR. A two stage solid phase extraction (SPE) procedure and a semi-preparative HPLC method were developed utilizing various mechanisms of separation. The major metabolites proved to be isomeric glucuronides of the benzodioxane moiety hydroxylated at positions 6 or 7 and {2-(2-carboxyethyl)-3(2H)-pyridazinone}.     

Similar quartz crystallographic textures in rocks of continental earth’s crust (by neutron diffraction data): II. Quartz textures in monophase rocks

The types of quartz textures found in a large collection of multiphase rocks from different regions of the earth are analyzed. Crystallographic textures of granulite, amphibolite, slate, and gneiss samples are measured, classified, and compared with the similar textures of monomineral rocks.     

Micro-mechanical behaviors of SMA composite materials under hygro-thermo-elastic strain fields

An analytical procedure to evaluate the behavior of shape memory alloy (SMA) composite under hygrothermal environment is presented. The SMA wires are considered as inclusions embedded in a homogeneous matrix medium of the composite. The inhomogeneity associated with the phase transformation and thermal strains in the SMA wire as well as the hygrothermal strain in the matrix is homogenized using Eshelby’s equivalent inclusion method. In the present work, a similar approach adopted for SMA composites by Marfia and Sacco [Marfia, S., Sacco, E., 2005. Micromechanics and homogenisation of SMA-wire-reinforced materials. J. Appl. Mech. 72 (2), 259–268.] is considered in order to validate the response of SMA composite subjected to thermo-elastic strain field. However, in the present approach, certain modifications and new derivations for the inelastic strain tensors is carried out. First, the constitutive laws for the SMA wire and matrix are expressed in terms of the average strain in the composite. The evolutionary equations used to characterize the pseudoelastic (PE) behavior of the SMA wire are redefined in terms of the eigen strains (phase transformation and thermal strains) occurring in the SMA wire, which are then expressed in terms of the average strain in the composite. Further, the SMA composite constitutive law under coupled hygro-thermo-elastic strain fields is proposed. The generic homogenized hygric and thermal inelastic composite tensors required for the proposed hygro-thermo-elastic constitutive law are derived. Finally, the SMA composite lamina is characterized using Eshelby’s equivalent inclusion method. Using the proposed modifications and derivations, the analytical results are validated for the case of thermo-elastic strain fields and the procedure is then extended to evaluate the SMA composite behavior under hygro-thermo-elastic strain fields. The results include the effect of thermo-elastic and hygro-thermo-elastic strains on the transformation stresses and the nature of hysteresis due to hygric and thermo-elastic strains.