A simple miniature furnace for routine collection of single crystal x-ray data up to 1000°C on the Hilger and Watts linear diffractometer

A miniature furnace suitable for routine collection of x-ray data up to 1000°C from single crystals on the Hilger and Watts linear diffractometer, without restricting the normally allowed region of reciprocal space on the diffractometer, is described. The crystal is heated primarily by radiation from a surrounding current-heated, stationary platinum coil wound on a silica bracket. The coil is split at its middle to provide a 4 mm gap for crystal mounting and x-irradiation. The crystal, mounted on a standard goniometer head, can be rotated and centred freely, as in the room temperature case. There is no need for any radiation shields or water-cooling arrangement. Investigations up to 1500°C are possible with slight modifications of the furnace.

Decoupled three-dimensional finite element computation of thermoelastic damping using Zener's approximation

We consider three dimensional finite element computations of thermoelastic damping ratios of arbitrary bodies using Zener's approach. In our small-damping formulation, unlike existing fully coupled formulations, the calculation is split into three smaller parts. Of these, the first sub-calculation involves routine undamped modal analysis using ANSYS. The second sub-calculation takes the mode shape, and solves on the same mesh a periodic heat conduction problem. Finally, the damping coefficient is a volume integral, evaluated elementwise. In the only other decoupled three dimensional computation of thermoelastic damping reported in the literature, the heat conduction problem is solved much less efficiently, using a modal expansion. We provide numerical examples using some beam-like geometries, for which Zener's and similar formulas are valid. Among these we examine tapered beams, including the limiting case of a sharp tip. The latter's higher-mode damping ratios dramatically exceed those of a comparable uniform beam.

Formulas for algorithmic computation of impedance matrix using general circuit constants

A set of formulas is derived from general circuit constants which facilitates formation of the impedance matrix of a power system by the bus-impedance method. The errors associated with the lumpedparameter representation of a transmission line are thereby eliminated. The formulas are valid for short lines also, if the relevant general circuit constants are employed. The mutual impedance between the added line and the existing system is not considered, but the approach suggested can well be extended to it.

Approximate synthesis formulas for microstrip line with aperture in ground plane

Approximate closed-form expressions for the propagation characteristics of a microstrip line with a symmetrical aperture in its ground plane are reported in this article. Well-known expressions for the characteristic impedance of a regular microstrip line have been modified to incorporate the effect of this aperture. The accuracy of these expressions for various values of substrate thickness, permittivity and line width has been studied in detail by fullwave simulations. This has been further verified by measurements. These expressions are easier to compute and find immense use in the design of broadband filters, tight couplers, power dividers, transformers, delay lines, and matching circuits. A broadband filter with aperture in ground plane is demonstrated in this article. (c) 2011 Wiley Periodicals, Inc. Int J RF and Microwave CAE, 2012.

An Exponential Lower Bound for Homogeneous Depth Four Arithmetic Formulas

We show here a 2(Omega(root d.log N)) size lower bound for homogeneous depth four arithmetic formulas. That is, we give an explicit family of polynomials of degree d on N variables (with N = d(3) in our case) with 0, 1-coefficients such that for any representation of a polynomial f in this family of the form f = Sigma(i) Pi(j) Q(ij), where the Q(ij)'s are homogeneous polynomials (recall that a polynomial is said to be homogeneous if all its monomials have the same degree), it must hold that Sigma(i,j) (Number of monomials of Q(ij)) >= 2(Omega(root d.log N)). The above mentioned family, which we refer to as the Nisan-Wigderson design-based family of polynomials, is in the complexity class VNP. Our work builds on the recent lower bound results 1], 2], 3], 4], 5] and yields an improved quantitative bound as compared to the quasi-polynomial lower bound of 6] and the N-Omega(log log (N)) lower bound in the independent work of 7].

Fatigue Laws Via Functional Equations

In routine industrial design, fatigue life estimation is largely based on S-N curves and ad hoc cycle counting algorithms used with Miner's rule for predicting life under complex loading. However, there are well known deficiencies of the conventional approach. Of the many cumulative damage rules that have been proposed, Manson's Double Linear Damage Rule (DLDR) has been the most successful. Here we follow up, through comparisons with experimental data from many sources, on a new approach to empirical fatigue life estimation (A Constructive Empirical Theory for Metal Fatigue Under Block Cyclic Loading', Proceedings of the Royal Society A, in press). The basic modeling approach is first described: it depends on enforcing mathematical consistency between predictions of simple empirical models that include indeterminate functional forms, and published fatigue data from handbooks. This consistency is enforced through setting up and (with luck) solving a functional equation with three independent variables and six unknown functions. The model, after eliminating or identifying various parameters, retains three fitted parameters; for the experimental data available, one of these may be set to zero. On comparison against data from several different sources, with two fitted parameters, we find that our model works about as well as the DLDR and much better than Miner's rule. We finally discuss some ways in which the model might be used, beyond the scope of the DLDR.

PocketMatch: A new algorithm to compare binding sites in protein structures

Recognizing similarities and deriving relationships among protein molecules is a fundamental requirement in present-day biology. Similarities can be present at various levels which can be detected through comparison of protein sequences or their structural folds. In some cases similarities obscure at these levels could be present merely in the substructures at their binding sites. Inferring functional similarities between protein molecules by comparing their binding sites is still largely exploratory and not as yet a routine protocol. One of the main reasons for this is the limitation in the choice of appropriate analytical tools that can compare binding sites with high sensitivity. To benefit from the enormous amount of structural data that is being rapidly accumulated, it is essential to have high throughput tools that enable large scale binding site comparison. Results: Here we present a new algorithm PocketMatch for comparison of binding sites in a frame invariant manner. Each binding site is represented by 90 lists of sorted distances capturing shape and chemical nature of the site. The sorted arrays are then aligned using an incremental alignment method and scored to obtain PMScores for pairs of sites. A comprehensive sensitivity analysis and an extensive validation of the algorithm have been carried out. A comparison with other site matching algorithms is also presented. Perturbation studies where the geometry of a given site was retained but the residue types were changed randomly, indicated that chance similarities were virtually non-existent. Our analysis also demonstrates that shape information alone is insufficient to discriminate between diverse binding sites, unless combined with chemical nature of amino acids. Conclusion: A new algorithm has been developed to compare binding sites in accurate, efficient and high-throughput manner. Though the representation used is conceptually simplistic, we demonstrate that along with the new alignment strategy used, it is sufficient to enable binding comparison with high sensitivity. Novel methodology has also been presented for validating the algorithm for accuracy and sensitivity with respect to geometry and chemical nature of the site. The method is also fast and takes about 1/250(th) second for one comparison on a single processor. A parallel version on BlueGene has also been implemented.

A Closed-Cycle Refrigerator Based Pulsed Management System

A low cost 12 T pulsed magnet system has been integrated with a closed-cycle helium refrigerator. The copper solenoid is directly immersed in liquid nitrogen for reduced electrical resistance and more efficient heat transfer. This ensures a minimal delay of few minutes between pulses. The sample is mounted on the cold finger of the refrigerator and, along with the surrounding vacuum shroud, is inserted into the bore of the solenoid. When combined with software lock-in signal processing to reduce noise, quick but accurate measurements can be performed at temperatures 4 K-300 K up to 12 T. Quantum Hall effect data in a p-channel SiGe/Si heterostructure has been used to calibrate the instrument against a commercial superconducting magnet. Its versatility as a routine characterization tool is demonstrated bymeasuring parallel conduction in Si/SiGe modulation doped heterostructures.

Ternary metal complexes of anionic and neutral pyridoxine (vitamin B6) with 2,2'-bipyridine. Syntheses and x-ray structures of (pyridoxinato)bis(2,2'-bipyridyl)cobalt(III) perchlorate and chloro(2,2'-bipyridyl)(pyridoxine)copper(II) perchlorate hydrate

Ternary metal complexes involving vitamin B6 with formulas [CO",(PN-H)](anCdI [OC)'(bpy)(PN)Cl]C10(.bpHy 0 = 2,2'-bipyridine, PN = neutral pyridoxine, PN-H = anionic pyridoxine) have been prepared for the first time and characterized by means of magnetic and spectroscopic measurements. The crystal structures of the compounds have also been determined. [CO(PN-H)](CcryIsOta,l)lize s in the space group P2,/c with a = 18.900 (3) A, b = 8.764 (1) A, c = 20.041 (2) A,p = 116.05 (l)', and Z = 4 and [Cu(bpy)(PN)C1]C104-H20in the space group Pi with a = 12.136 (5) A, b = 13.283 (4) A,c = 7.195 (2) A, a = 96.91 (Z)', 0 = 91.25 (3)', y = 71.63 (3)', and Z = 2. The structures were solved by the heavy-atom method and refined by least-squares techniques to R values of 0.080 and 0.042 for 3401 and 2094 independent reflections, respectively. Both structures consist of monomeric units. The geometry around Co(II1) is octahedral and around Cu(I1) is distorted square pyramidal. In [CO(PN-H)]t(wCo IoxOy~ge)n~s ,fro m phenolic and 4-(hydroxymethyl) groups of PN-H and two nitrogens from each of two bpy's form the coordination sphere. In [Cu(bpy)(PN)C1]C104.H20o ne PN and one bpy, with the same donor sites, act as bidentate chelates in the basal plane, with a chloride ion occupying the apical position. In both structures PN and PN-H exist in the tautomeric form wherein pyridine N is protonated and phenolic 0 is deprotonated. However, a novel feature of the cobalt compound is that PN-H is anionic due to the deprotonation of the 4-(hydroxymethyl) group. The packing in both structures is governed by hydrogen bonds, and in the copper compound partial stacking of bpy's at a distance of -3.55 also adds to the stability of the system. Infrared, NMR, and ligand field spectroscopic results and magnetic measurements are interpreted in light of the structures.

Visualization of enantiomers using natural abundant 13C-filtered single and double quantum selective refocusing experiments: Application to small chiral molecules

The routine use of proton NMR for the visualization of enantiomers, aligned in the chiral liquid crystal solvent poly-γ-benzyl-l-glutamate (PBLG), is restricted due to severe loss of resolution arising from large number of pair wise interaction of nuclear spins. In the present study, we have designed two experimental techniques for their visualization utilizing the natural abundance 13C edited selective refocusing of single quantum (CH-SERF) and double quantum (CH-DQSERF) coherences. The methods achieve chiral discrimination and aid in the simultaneous determination of homonuclear couplings between active and passive spins and heteronuclear couplings between the excited protons and the participating 13C spin. The CH-SERF also overcomes the problem of overlap of central transitions of the methyl selective refocusing (SERF) experiment resulting in better chiral discrimination. Theoretical description of the evolution of magnetization in both the sequences has been discussed using polarization operator formalism.

Crystal and molecular structures of alkali- and alkaline-earth-metal complexes of N,N-dimethylformamide

Structures of lithium, sodium, magnesium, and calcium complexes of NJ-dimethylformamide (DMF) have been investigated by X-ray crystallography. Complexes with the formulas LiCl.DMF.1/2H20, NaC104.2DMF, CaC12.2DMF.2H20, and Mg(C104)2.6DMF crystallized in space groups P2]/c, P2/c, Pi, and Ella, respectively, with the following cell dimensions: Li complex, a = 13.022 (7) A, b = 5.978 (4) A, c = 17.028 (10) A, = 105.48 (4)O, Z = 8; Na complex, a = 9.297 (4)A, b = 10.203 (3) A, c = 13.510 (6) A, /3 = 110.08 (4)O, Z = 4; Ca complex, a = 6.293 (4) A, b = 6.944 (2) A, c = 8.853(5) A, a = 110.15 (3)O, /3 = 105.60 (6)", y = 95.34 (5)", Z = 1; Mg complex, a = 20.686 (11) A, b = 10.962 (18) A,c = 14.885 (9) A, /3 = 91.45 (5)O, Z = 4. Lithium is tetrahedrally coordinated while the other three cations are octahedrally coordinated; the observed metal-oxygen distances are within the ranges generally found in oxygen donor complexes of these metals. The lithium and sodium complexes are polymeric, with the amide and the anion forming bridging groups between neighboring cations. The carbonyl distances become longer in the complexes accompanied by a proportionate decrease in the length of the central C-N bond of the amide; the N-C bond of the dimethylamino group also shows some changes in the complexes. The cations do not deviate significantly from the lone-pair direction of the amide carbonyl and remain in the amide plane. Infrared spectra of the complexes reflect the observed changes in the amide bond distances.

A Microprocessor-Based Scheme for Testing Protective Relays

This paper presents a general hardware scheme for testing protective relays using microprocessor based systems. The microprocessor simulates the relaying signals for test purpose and monitors the relay performance. Based on the proposed hardware, a teat procedure for directional overcurrent relays is presented in detail. Typical test results of various routine tests conducted on a commercial single phase directional over-current relay clearly demonstrate the efficacy of the proposed technique for conducting tests on commercial relays.

Estimation of Execution Times of Process Control Algorithms on Microcomputers

An important question which has to be answered in evaluting the suitability of a microcomputer for a control application is the time it would take to execute the specified control algorithm. In this paper, we present a method of obtaining closed-form formulas to estimate this time. These formulas are applicable to control algorithms in which arithmetic operations and matrix manipulations dominate. The method does not require writing detailed programs for implementing the control algorithm. Using this method, the execution times of a variety of control algorithms on a range of 16-bit mini- and recently announced microcomputers are calculated. The formulas have been verified independently by an analysis program, which computes the execution time bounds of control algorithms coded in Pascal when they are run on a specified micro- or minicomputer.

An accurate method for the experimental evaluation of the acoustical impedance of a black box

Among different methods, the transmission-line or the impedance tube method has been most popular for the experimental evaluation of the acoustical impedance of any termination. The current state of method involves extrapolation of the measured data to the reflecting surface or exact locations of the pressure maxima, both of which are known to be rather tricky. The present paper discusses a method which makes use of the positions of the pressure minima and the values of the standing-wave ratio at these points. Lippert's concept of enveloping curves has been extended. The use of Smith or Beranek charts, with their inherent inaccuracy, has been altogether avoided. The existing formulas for the impedance have been corrected. Incidentally, certain other errors in the current literature have also been brought to light.Subject Classification: 85.20.