Numerical modeling of heat and mass transfer in laser surface alloying: Non-equilibrium solidification effects

A transient macroscopic model is developed for studying heat and mass transfer in a single-pass laser surface alloying process, with particular emphasis on non-equilibrium solidification considerations. The solution for species concentration distribution requires suitable treatment of non-equilibrium mass transfer conditions. In this context, microscopic features pertaining to non-equilibrium effects on account of solutal undercooling are incorporated through the formulation of a modified partition-coefficient. The effective partition-coefficient is numerically modeled by Means of a number of macroscopically observable parameters related to the solidifying domain. The numerical model is so developed that the modifications on account of non-equilibrium solidification considerations can be conveniently implemented in existing numerical codes based on equilibrium solidification considerations.

On the importance of backbone loop and peptide flip in the Walker sequence in F-1-ATPase action

The Walker sequence, GXXXXGKT, present in all the six subunits of F-1-ATPase exists in a folded form, known as phosphate-binding loop (P-loop). Analysis of the Ramachandran angles showed only small RMS deviation between the nucleotide-bound and nucleotide-free forms. This indicated a good overlap of the backbone loops. The catalytic beta-subunits (chains D, E and F) showed significant changes in the Ramachandran angles and the side chain torsion angles, but not the structural alpha-subunits (chains A, B and C). Most striking among these are the changes associated with Val160 and Gly161 corresponding to a flip in the peptide unit between them when a nucleotide is bound (chains D or F compared to nucleotide-free chain E). The conformational analysis further revealed a hitherto unnoticed hydrogen bond between amide-N of the flipped Gly161 and terminal phosphate-O of the nucleotide. This assigns a role for this conserved amino acid, otherwise ignored, of making an unusual direct interaction between the peptide backbone of the enzyme protein and the incoming nucleotide substrate. Significance of this interaction is enhanced, as it is limited only to the catalytic subunits, and also likely to involve a mechanical rotation of bonds of the peptide unit. Hopefully this is part of the overall events that link the chemical hydrolysis of ATP with the mechanical rotation of this molecule, now famous as tiny molecular motor.

Symmetry-breaking transitions in equilibrium shapes of coherent precipitates: Effect of elastic anisotropy and inhomogeneity

We examine the symmetry-breaking transitions in equilibrium shapes of coherent precipitates in two-dimensional (2-D) systems under a plane-strain condition with the principal misfit strain components epsilon(xx)*. and epsilon(yy)*. For systems with cubic elastic moduli, we first show all the shape transitions associated with different values of t = epsilon(yy)*/epsilon(xx)*. We also characterize each of these transitions, by studying its dependence on elastic anisotropy and inhomogeneity. For systems with dilatational misfit (t = 1) and those with pure shear misfit (t = -1), the transition is from an equiaxed shape to an elongated shape, resulting in a break in rotational symmetry. For systems with nondilatational misfit (-1 < t < 1; t not equal 0), the transition involves a break in mirror symmetries normal to the x- and y-axes. The transition is continuous in all cases, except when 0 < t < 1. For systems which allow an invariant line (-1 less than or equal to t < 0), the critical size increases with an increase in the particle stiffness. However, for systems which do not allow an invariant line (0 < t less than or equal to 1), the critical size first decreases, reaches a minimum, and then starts increasing with increasing particle stiffness; moreover, the transition is also forbidden when the particle stiffness is greater than a critical value.

Encapsulated and hollow closed-cage structures of WS2 and MoS2 prepared by laser ablation at 450–1050°C

Encapsulated and hollow closed-cage onion-like structures of WS2 and MoS2 were prepared by laser ablation of the corresponding layered structures in argon atmosphere at four varied temperatures. A detailed study for WS2 indicates that only metal-filled onion-like structures are produced at temperatures Tless-than-or-equals, slant650°C, whereas a mixture of metal-filled and hollow structures are produced at Tgreater-or-equal, slanted850°C. The encapsulated metal is identified to be predominantly the metastable β phase of tungsten. Very short tube-like or elongated polyhedral structures are also obtained at high temperatures.

Equilibrium and relaxation in turbulent wakes

In order to study the memory of the larger eddies in turbulent shear flow, experiments have been conducted on plane turbulent wakes undergoing transition from an initial (carefully prepared) equilibrium state to a different final one, as a result of a nearly impulsive pressure gradient. It is shown that under the conditions of the experiments the equations of motion possess self-preserving solutions in the sense of Townsend (1956), but the observed behaviour of the wake is appreciably different when the pressure gradient is not very small, as the flow goes through a slow relaxation process before reaching final equilibrium. Measurements of the Reynolds stresse show that the approach to a new equilibrium state is exponential, with a relaxation length of the order of 103 momentum thicknesses. It is suggested that a flow satisfying the conditions required by a self-preservation analysis will exhibit equilibrium only if the relaxation length is small compared with a characteristic streamwise length scale of the flow.

Turbulence measurements in an ‘equilibrium’ axisymmetric wall jet Journal

This paper reports measurements of turbulent quantities in an axisymmetric wall jet subjected to an adverse pressure gradient in a conical diffuser, in such a way that a suitably defined pressure-gradient parameter is everywhere small. Self-similarity is observed in the mean velocity profile, as well as the profiles of many turbulent quantities at sufficiently large distances from the injection slot. Autocorrelation measurements indicate that, in the region of turbulent production, the time scale of ν fluctuations is very much smaller than the time scale of u fluctuations. Based on the data on these time scales, a possible model is proposed for the Reynolds stress. One-dimensional energy spectra are obtained for the u, v and w components at several points in the wall jet. It is found that self-similarity is exhibited by the one-dimensional wavenumber spectrum of $\overline{q^2}(=\overline{u^2}+\overline{v^2}+\overline{w^2})$, if the half-width of the wall jet and the local mean velocity are used for forming the non-dimensional wavenumber. Both the autocorrelation curves and the spectra indicate the existence of periodicity in the flow. The rate of dissipation of turbulent energy is estimated from the $\overline{q^2}$ spectra, using a slightly modified version of a previously suggested method.

The Boltzmann collision integrals for a combination of Maxwellians

The gain and loss integrals in the Boltzmann equation for a rigid sphere gas are evaluated in closed form for a distribution which can be expressed as a linear combination of Maxwellians. Application to the Mott-Smith bimodal distribution shows that the gain is also bimodal, but the two modes in the gain are less pronounced than in the distribution. Implications of these results for simple collision models in non-equilibrium flow are discussed.

Crystal structures of open and closed forms of D-serine deaminase from Salmonella typhimurium - implications on substrate specificity and catalysis

Metabolism of D-amino acids is of considerable interest due to their key importance in cell structure and function. Salmonella typhimurium D-serine deaminase (StDSD) is a pyridoxal 5' phosphate (PLP) dependent enzyme that catalyses degradation of D-Ser to pyruvate and ammonia. The first crystal structure of D-serine deaminase described here reveals a typical Foldtype II or tryptophan synthase beta subunit fold of PLP-dependent enzymes. Although holoenzyme was used for crystallization of both wild-type StDSD (WtDSD) and selenomethionine labelled StDSD (SeMetDSD), significant electron density was not observed for the cofactor, indicating that the enzyme has a low affinity for the cofactor under crystallization conditions. Interestingly, unexpected conformational differences were observed between the two structures. The WtDSD was in an open conformation while SeMetDSD, crystallized in the presence of isoserine, was in a closed conformation suggesting that the enzyme is likely to undergo conformational changes upon binding of substrate as observed in other Foldtype II PLP-dependent enzymes. Electron density corresponding to a plausible sodium ion was found near the active site of the closed but not in the open state of the enzyme. Examination of the active site and substrate modelling suggests that Thr166 may be involved in abstraction of proton from the C alpha atom of the substrate. Apart from the physiological reaction, StDSD catalyses a, b elimination of D-Thr, D-Allothr and L-Ser to the corresponding alpha-keto acids and ammonia. The structure of StDSD provides a molecular framework necessary for understanding differences in the rate of reaction with these substrates.

Three-dimensional double-diffusive convection and macrosegregation during non-equilibrium solidification of binary mixtures

A three-dimensional transient mathematical model (following a fixed-grid enthalpy-based continuum formulation) is used to study the interaction of double-diffusive natural convection and non-equilibrium solidification of a binary mixture in a cubic enclosure cooled from a side. Investigations are carried out for two separate test systems, one corresponding to a typical model "metal-alloy analogue" system and other corresponding to a real metal-alloy system. Due to stronger effects of solutal buoyancy in actual metal-alloy systems than in corresponding analogues, the convective transport mechanisms for the two cases are quite different. However, in both cases, similar elements of three-dimensionality are observed in the curvature and spacing of the projected streamlines. As a result of three-dimensional convective flow patterns, a significant solute macrosegregation is observed across the transverse sections of the cavity, which cannot be captured by two-dimensional simulations. (C) 2003 Elsevier Science Ltd. All rights reserved.

Acquisition time improvement of PLLs using some aiding functions

Analytical studies are carried out to minimize acquisition time in phase-lock loop (PLL) applications using aiding functions. A second order aided PLL is realized with the help of the quasi-stationary approach to verify the acquisition behavior in the absence of noise. Time acquisition is measured both from the study of the LPF output transient and by employing a lock detecting and indicating circuit to crosscheck experimental and analytical results. A closed form solution is obtained for the evaluation of the time acquisition using different aiding functions. The aiding signal is simple and economical and can be used with state of the art hardware.

Stream-Close: Fast mining of Closed Frequent Itemsets in high speed data streams

With the emergence of large-volume and high-speed streaming data, the recent techniques for stream mining of CFIpsilas (closed frequent itemsets) will become inefficient. When concept drift occurs at a slow rate in high speed data streams, the rate of change of information across different sliding windows will be negligible. So, the user wonpsilat be devoid of change in information if we slide window by multiple transactions at a time. Therefore, we propose a novel approach for mining CFIpsilas cumulatively by making sliding width(ges1) over high speed data streams. However, it is nontrivial to mine CFIpsilas cumulatively over stream, because such growth may lead to the generation of exponential number of candidates for closure checking. In this study, we develop an efficient algorithm, stream-close, for mining CFIpsilas over stream by exploring some interesting properties. Our performance study reveals that stream-close achieves good scalability and has promising results.

A Nash Bargaining Approach to Retention Enhancing Bid Optimization in Sponsored Search Auctions with Discrete Bids

Bid optimization is now becoming quite popular in sponsored search auctions on the Web. Given a keyword and the maximum willingness to pay of each advertiser interested in the keyword, the bid optimizer generates a profile of bids for the advertisers with the objective of maximizing customer retention without compromising the revenue of the search engine. In this paper, we present a bid optimization algorithm that is based on a Nash bargaining model where the first player is the search engine and the second player is a virtual agent representing all the bidders. We make the realistic assumption that each bidder specifies a maximum willingness to pay values and a discrete, finite set of bid values. We show that the Nash bargaining solution for this problem always lies on a certain edge of the convex hull such that one end point of the edge is the vector of maximum willingness to pay of all the bidders. We show that the other endpoint of this edge can be computed as a solution of a linear programming problem. We also show how the solution can be transformed to a bid profile of the advertisers.