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.

Edge Stabilities of Hexagonal Boron Nitride Nanoribbons: A First-Principles Study

We investigate the comparative stability of sp(2) bonded planar hexagonal boron nitride (h-BN) nanoribbon (BNNR) edges, using first principles calculations. We find that the pristine armchair edges have the highest degree of stability. Pristine zigzag edges are metastable, favoring planar reconstructions in the form of 5-7 rings] that minimizes the energy. Our investigation further reveals that the pristine zigzag edges can be stabilized against 5-7 reconstructions by passivating the dangling bonds at the edges by other elements, such as hydrogen (H) atoms. Electronic and magnetic properties of nanoribbons depend on the edge shapes and are strongly affected by edge reconstructions.

On Computation of Minimum Distance of Linear Block Codes Above 1/2 Rate Coding

The minimum distance of linear block codes is one of the important parameter that indicates the error performance of the code. When the code rate is less than 1/2, efficient algorithms are available for finding minimum distance using the concept of information sets. When the code rate is greater than 1/2, only one information set is available and efficiency suffers. In this paper, we investigate and propose a novel algorithm to find the minimum distance of linear block codes with the code rate greater than 1/2. We propose to reverse the roles of information set and parity set to get virtually another information set to improve the efficiency. This method is 67.7 times faster than the minimum distance algorithm implemented in MAGMA Computational Algebra System for a (80, 45) linear block code.

Metathesis of carbon dioxide and phenyl isocyanate catalysed by group(IV) metal alkoxides: An experimental and computational study

The insertion reactions of zirconium(IV) n-butoxide and titanium(IV) n-butoxide with a heterocumulene like carbodiimide, carbon dioxide or phenyl isocyanate are compared. Both give an intermediate which carries out metathesis at elevated temperatures by inserting a second heterocumulene in a head-to-head fashion. The intermediate metallacycle extrudes a new heterocumulene, different from the two that have inserted leading to metathesis. As the reaction is reversible, catalytic metathesis is feasible. In stoichiometric reactions heterocumulene insertion, metathesis and metathesis cum insertion products are observed. However, catalytic amounts of the metal alkoxide primarily led to metathesis products. It is shown that zirconium alkoxides promote catalytic metathesis (isocyanates, carbon dioxide) more efficiently than the corresponding titanium alkoxide. The difference in the metathetic activity of these alkoxides has been explained by a computational study using model complexes Ti(OMe)(4) (1bTi) and Zr(OMe)(4) (1bZr). The computation was carried out at the B3LYP/LANL2DZ level of theory.

A Sub-Nyquist Sampling Method For Computing The Level-crossing-times Of An Analog Signal: Theory And Applications

We address the problem of computing the level-crossings of an analog signal from samples measured on a uniform grid. Such a problem is important, for example, in multilevel analog-to-digital (A/D) converters. The first operation in such sampling modalities is a comparator, which gives rise to a bilevel waveform. Since bilevel signals are not bandlimited, measuring the level-crossing times exactly becomes impractical within the conventional framework of Shannon sampling. In this paper, we propose a novel sub-Nyquist sampling technique for making measurements on a uniform grid and thereby for exactly computing the level-crossing times from those samples. The computational complexity of the technique is low and comprises simple arithmetic operations. We also present a finite-rate-of-innovation sampling perspective of the proposed approach and also show how exponential splines fit in naturally into the proposed sampling framework. We also discuss some concrete practical applications of the sampling technique.

Variable Elimination in Linear Constraints

Gauss and Fourier have together provided us with the essential techniques for symbolic computation with linear arithmetic constraints over the reals and the rationals. These variable elimination techniques for linear constraints have particular significance in the context of constraint logic programming languages that have been developed in recent years. Variable elimination in linear equations (Guassian Elimination) is a fundamental technique in computational linear algebra and is therefore quite familiar to most of us. Elimination in linear inequalities (Fourier Elimination), on the other hand, is intimately related to polyhedral theory and aspects of linear programming that are not quite as familiar. In addition, the high complexity of elimination in inequalities has forces the consideration of intricate specializations of Fourier's original method. The intent of this survey article is to acquaint the reader with these connections and developments. The latter part of the article dwells on the thesis that variable elimination in linear constraints over the reals extends quite naturally to constraints in certain discrete domains.

Microscopic theory of vortex dynamics

An approach to vortex dynamics is outlined, a new form being obtained for the pair potential forces on a vortex. A microscopic calculation of the vortex inertial mass is presented. Quantum effects on vortex lattice melting are briefly discussed.

Microscopic theory of vortex dynamics

An approach to vortex dynamics is outlined, a new form being obtained for the pair potential forces on a vortex. A microscopic calculation of the vortex inertial mass is presented. Quantum effects on vortex lattice melting are briefly discussed.

Rudiments of complexity theory for scientists and engineers

Complexity theory is an important and growing area in computer science that has caught the imagination of many researchers in mathematics, physics and biology. In order to reach out to a large section of scientists and engineers, the paper introduces elementary concepts in complexity theory in a informal manner, motivating the reader with many examples.

Application of scaled particle theory to alkyl-aryl surfactants: a two zone model of micellar core

Scaled Particle Theory (SPT) has been applied to predict the total free energies of micellization of ionic as well as nonionic micellar systems containing an aryl ring. A modification of the previously developed model has been made, proposing a two-zone model of micellar core which corroborates with the structural information available for such systems. The results are in good agreement with experimental data and also confirm the dictating role of cavity forming free energies for such systems

Distributed computation of fixed points of infinity-nonexpansive maps

The distributed implementation of an algorithm for computing fixed points of an infinity-nonexpansive map is shown to converge to the set of fixed points under very general conditions.

Fast computation of Legendre and Zernike moments

This paper presents recursive algorithms for fast computation of Legendre and Zernike moments of a grey-level image intensity distribution. For a binary image, a contour integration method is developed for the evaluation of Legendre moments using only the boundary information. A method for recursive calculation of Zernike polynomial coefficients is also given. A square-to-circular image transformation scheme is introduced to minimize the computation involved in Zernike moment functions. The recursive formulae can also be used in inverse moment transforms to reconstruct the original image from moments. The mathematical framework of the algorithms is given in detail, and illustrated with binary and grey-level images.

Potential-distance relationships of clay-water systems considering the Stern theory

This paper deals with the use of Stem theory as applied to a clay-water electrolyte system, which is more realistic to understand the force system at micro level man the Gouy-Chapman theory. The influence of the Stern layer on potential-distance relationship has been presented quantitatively for certain specified clay-water systems and the results are compared with the Gouy-Chapman model. A detailed parametric study concerning the number of adsorption spots on the clay platelet, the thickness of the Stern layer, specific adsorption potential and the value of dielectric constant of the pore fluid in the Stern layer, was carried out. This study investigates that the potential obtained at any distance using the Stern theory is higher than that obtained by the Gouy-Chapman theory. The hydrated size of the ion is found to have a significant influence on the potential-distance relationship for a given clay, pore fluid characteristics and valence of the exchangeable ion.

The structural theory and physical organic chemistry

Woolley's revolutionary proposal that quantum mechanics does not sanction the concept of ''molecular structure'' - which is but only a ''metaphor'' - has fundamental implications for physical organic chemistry. On the one hand, the Uncertainty Principle limits the precision with which transition state structures may be defined; on the other, extension of the structure concept to the transition state may be unviable. Attempts to define transition states have indeed caused controversy. Consequences for molecular recognition, and a mechanistic classification, are also discussed.