IS A DEEP ONE-CELL MERIDIONAL CIRCULATION ESSENTIAL FOR THE FLUX TRANSPORT SOLAR DYNAMO?

The solar activity cycle is successfully modeled by the flux transport dynamo, in which the meridional circulation of the Sun plays an important role. Most of the kinematic dynamo simulations assume a one-cell structure of the meridional circulation within the convection zone, with the equatorward return flow at its bottom. In view of the recent claims that the return flow occurs at a much shallower depth, we explore whether a meridional circulation with such a shallow return flow can still retain the attractive features of the flux transport dynamo (such as a proper butterfly diagram, the proper phase relation between the toroidal and poloidal fields). We consider additional cells of the meridional circulation below the shallow return flow-both the case of multiple cells radially stacked above one another and the case of more complicated cell patterns. As long as there is an equatorward flow in low latitudes at the bottom of the convection zone, we find that the solar behavior is approximately reproduced. However, if there is either no flow or a poleward flow at the bottom of the convection zone, then we cannot reproduce solar behavior. On making the turbulent diffusivity low, we still find periodic behavior, although the period of the cycle becomes unrealistically large. In addition, with a low diffusivity, we do not get the observed correlation between the polar field at the sunspot minimum and the strength of the next cycle, which is reproduced when diffusivity is high. On introducing radially downward pumping, we get a more reasonable period and more solar-like behavior even with low diffusivity.

Deformation and strength of Ti-6Al-4V alloyed with B at cryogenic temperatures

Plastic deformation and strength of Ti-6Al-4V (Ti64) alloyed with minor additions of B at cryogenic temperatures were investigated through unnotched and notched tensile tests at 20 and 77 K Marked microstructural refinement that occurs with the trace addition of B to Ti64 was exploited for examining the role of microstructural length scales on the cryogenic plastic deformation. The tensile tests were complemented with detailed microstructural characterisation using transmission electron microscopy and electron back scattered diffraction imaging of the deformed specimens. Experimental results show that the addition of 0.30 wt% and above of B to Ti64 reduces ductility, and in turn enhances the notch sensitivity to the extent that those alloys become unsuitable for low temperature applications. However, the addition of similar to 0.10 wt% B is beneficial in enhancing the low temperature strength. An examination of the yield strength variation at various temperatures reveals that at 77 K, the colony size determines the yield strength of the alloy, just as it does at room temperature; implying dislocation-mediated plasticity continues to dominate up to 77 K At 20 K however, twinning dominates the flow response, with the activation of {11 (2) over bar1} and {5 (6) over bar1 (3) over bar} twinning in addition to {10 (1) over bar2} in the base alloy resulting in enhanced ductility of it as compared to either B-modified alloys at 20 K or the base alloy itself at 77 K The observation of a reasonable correlation between the lath aspect ratio, given by the colony-to-lath thickness ratios, and yield strength variation at 20 K suggests that coarse colony size in the base alloy allows for the activation of additional twinning mechanisms. (C) 2014 Elsevier B.V. All rights reserved.

From Selective-ID to Full-ID IBS without Random Oracles

Since its induction, the selective-identity (sID) model for identity-based cryptosystems and its relationship with various other notions of security has been extensively studied. As a result, it is a general consensus that the sID model is much weaker than the full-identity (ID) model. In this paper, we study the sID model for the particular case of identity-based signatures (IBS). The main focus is on the problem of constructing an ID-secure IBS given an sID-secure IBS without using random oracles-the so-called standard model-and with reasonable security degradation. We accomplish this by devising a generic construction which uses as black-box: i) a chameleon hash function and ii) a weakly-secure public-key signature. We argue that the resulting IBS is ID-secure but with a tightness gap of O(q(s)), where q(s) is the upper bound on the number of signature queries that the adversary is allowed to make. To the best of our knowledge, this is the first attempt at such a generic construction.

sigma-Ferrier rearrangement of carbohydrate derived vinylcyclopropanes: a facile approach to oxepane analogs

This article presents our work on the sigma-Ferrier ring-expansion of carbohydrate derived vinylcyclopropanes (VCPs) under electrophilic conditions mediated by chloramine-T and a phase-transfer catalyst. The present work serves as the first example on the studies of the reactivity of carbohydrate VCPs towards the synthesis of densely functionalized oxepane analogues. The work elaborates on a reasonable mechanism for the product formation and our observations on the diastereoselectivity based on control experiments and gas-phase calculations. (C) 2014 Elsevier Ltd. All rights reserved.

A novel method for studying the buckling of nanotubes considering geometrical imperfections

Buckling of nanotubes has been studied using many methods such as molecular dynamics (MD), molecular mechanics, and continuum-based shell theories. In MD, motion of the individual atoms is tracked under applied temperature and pressure, ensuring a reliable estimate of the material response. The response thus simulated varies for individual nanotubes and is only as accurate as the force field used to model the atomic interactions. On the other hand, there exists a rich literature on the understanding of continuum mechanics-based shell theories. Based on the observations on the behavior of nanotubes, there have been a number of shell theory-based approaches to study the buckling of nanotubes. Although some of these methods yield a reasonable estimate of the buckling stress, investigation and comparison of buckled mode shapes obtained from continuum analysis and MD are sparse. Previous studies show that the direct application of shell theories to study nanotube buckling often leads to erroneous results. The present study reveals that a major source of this error can be attributed to the departure of the shape of the nanotube from a perfect cylindrical shell. Analogous to the shell buckling in the macro-scale, in this work, the nanotube is modeled as a thin-shell with initial imperfection. Then, a nonlinear buckling analysis is carried out using the Riks method. It is observed that this proposed approach yields significantly improved estimate of the buckling stress and mode shapes. It is also shown that the present method can account for the variation of buckling stress as a function of the temperature considered. Hence, this can prove to be a robust method for a continuum analysis of nanosystems taking in the effect of variation of temperature as well.

K-plane regression

In this paper, we present a novel algorithm for piecewise linear regression which can learn continuous as well as discontinuous piecewise linear functions. The main idea is to repeatedly partition the data and learn a linear model in each partition. The proposed algorithm is similar in spirit to k-means clustering algorithm. We show that our algorithm can also be viewed as a special case of an EM algorithm for maximum likelihood estimation under a reasonable probability model. We empirically demonstrate the effectiveness of our approach by comparing its performance with that of the state of art algorithms on various datasets. (C) 2014 Elsevier Inc. All rights reserved.

Importance of intraspecifically gregarious species in a tropical bird community

In both single- and mixed-species social groups, certain participants are known to play important roles in providing benefits. Identifying these participants is critical for understanding group dynamics, but is often difficult with large roving social groups in the wild. Here, we develop a new approach to characterize roles in social groups and apply it to mixed-species bird flocks (flocks hereafter) in an Indian tropical evergreen forest. Two types of species, namely intraspecifically gregarious and sallying species, are thought to play important roles in flocks because studies have shown they attract other flock participants. However, it is unclear why these types are attractive and whether they are essential for flock formation. We address these questions by focusing on the composition of the subset of flocks containing only two species each. In two-species flocks, it is reasonable to assume that at least one species obtains some kind of benefit. Therefore, only those species combinations that result in benefit to at least one species should occur as two-species flocks. Using data from 540 flocks overall, of which 158 were two-species flocks, we find that intraspecifically gregarious species are disproportionately represented in two-species flocks and always lead flocks when present, and that flocks containing them are joined significantly more by other species. Our results suggest that intraspecifically gregarious species are likely to be the primary benefit providers in flocks and are important for tropical flock formation. Our study also provides a new approach to understanding importance in other mixed-species and single-species social groups.

Dissociation Constants of Weak Acids from ab Initio Molecular Dynamics Using Metadynamics: Influence of the Inductive Effect and Hydrogen Bonding on pK(a) Values

The theoretical estimation of the dissociation constant, or pK(a), of weak acids continues to be a challenging field. Here, we show that ab initio CarParrinello molecular dynamics simulations in conjunction with metadynamics calculations of the free-energy profile of the dissociation reaction provide reasonable estimates of the pK(a) value. Water molecules, sufficient to complete the three hydration shells surrounding the acid molecule, were included explicitly in the computation procedure. The free-energy profiles exhibit two distinct minima corresponding to the dissociated and neutral states of the acid, and the difference in their values provides the estimate for pK(a). We show for a series of organic acids that CPMD simulations in conjunction with metadynamics can provide reasonable estimates of pK(a) values. The acids investigated were aliphatic carboxylic acids, chlorine-substituted carboxylic acids, cis- and trans-butenedioic acid, and the isomers of hydroxybenzoic acid. These systems were chosen to highlight that the procedure could correctly account for the influence of the inductive effect as well as hydrogen bonding on pK(a) values of weak organic acids. In both situations, the CPMD metadynamics procedure faithfully reproduces the experimentally observed trend and the magnitudes of the pK(a) values.

Deep searches for decametre-wavelength pulsed emission from radio-quiet gamma-ray pulsars

We report the results of extensive follow-up observations of the gamma-ray pulsar J1732-3131, which has recently been detected at decametre wavelengths, and the results of deep searches for the counterparts of nine other radio-quiet gamma-ray pulsars at 34 MHz, using the Gauribidanur radio telescope. No periodic signal from J1732-3131 could be detected above a detection threshold of 8 sigma, even with an effective integration time of more than 40 h. However, the average profile obtained by combining data from several epochs, at a dispersion measure of 15.44 pc cm(-3), is found to be consistent with that from the earlier detection of this pulsar at a confidence level of 99.2 per cent. We present this consistency between the two profiles as evidence that J1732-3131 is a faint radio pulsar with an average flux density of 200-400 mJy at 34 MHz. Despite the extremely bright sky background at such low frequencies, the detection sensitivity of our deep searches is generally comparable to that of higher frequency searches for these pulsars, when scaled using reasonable assumptions about the underlying pulsar spectrum. We provide details of our deep searches, and put stringent upper limits on the decametre-wavelength flux densities of several radio-quiet gamma-ray pulsars.

Role of electrical resistance of electrodes in modeling of discharging and charging of flooded lead-acid batteries

Electrical resistance of both the electrodes of a lead-acid battery increases during discharge due to formation of lead sulfate, an insulator. Work of Metzendorf 1] shows that resistance increases sharply at about 65% conversion of active materials, and battery stops discharging once this critical conversion is reached. However, these aspects are not incorporated into existing mathematical models. Present work uses the results of Metzendorf 1], and develops a model that includes the effect of variable resistance. Further, it uses a reasonable expression to account for the decrease in active area during discharge instead of the empirical equations of previous work. The model's predictions are compared with observations of Cugnet et al. 2]. The model is as successful as the non-mechanistic models existing in literature. Inclusion of variation in resistance of electrodes in the model is important if one of the electrodes is a limiting reactant. If active materials are stoichiometrically balanced, resistance of electrodes can be very large at the end of discharge but has only a minor effect on charging of batteries. The model points to the significance of electrical conductivity of electrodes in the charging of deep discharged batteries. (C) 2014 Elsevier B.V. All rights reserved.

Estimating successive pK(a) values of polyprotic acids from ab initio molecular dynamics using metadynamics: the dissociation of phthalic acid and its isomers

Estimation of the dissociation constant, or pK(a), of weak acids continues to be a central goal in theoretical chemistry. Here we show that ab initio Car-Parrinello molecular dynamics simulations in conjunction with metadynamics calculations of the free energy profile of the dissociation reaction can provide reasonable estimates of the successive pK(a) values of polyprotic acids. We use the distance-dependent coordination number of the protons bound to the hydroxyl oxygen of the carboxylic group as the collective variable to explore the free energy profile of the dissociation process. Water molecules, sufficient to complete three hydration shells surrounding the acid molecule, were included explicitly in the computation procedure. Two distinct minima corresponding to the dissociated and un-dissociated states of the acid are observed and the difference in their free energy values provides the estimate for pK(a), the acid dissociation constant. We show that the method predicts the pK(a) value of benzoic acid in good agreement with experiment and then show using phthalic acid (benzene dicarboxylic acid) as a test system that both the first and second pK(a) values as well, as the subtle difference in their values for different isomers can be predicted in reasonable agreement with experimental data.

Simulation studies on the performance of thermoacoustic prime movers and refrigerator

The prime movers and refrigerators based on thermoacoustics have gained considerable importance toward practical applications in view of the absence of moving components, reasonable efficiency, use of environmental friendly working fluids, etc. Devices such as twin Standing Wave ThermoAcoustic Prime Mover (SWTAPM), Traveling Wave ThermoAcoustic Prime Mover (TWTAPM) and thermoacoustically driven Standing Wave ThermoAcoustic Refrigerator (SWTAR) have been studied by researchers. The numerical modeling and simulation play a vital role in their development. In our efforts to build the above thermoacoustic systems, we have carried out numerical analysis using the procedures of CFD on the above systems. The results of the analysis are compared with those of DeltaEC (freeware from LANL, USA) simulations and the experimental results wherever possible. For the CFD analysis commercial code Fluent 6.3.26 has been used along with the necessary boundary conditions for different working fluids at various average pressures. The results of simulation indicate that choice of the working fluid and the average pressure are critical to the performance of the above thermoacoustic devices. Also it is observed that the predictions through the CFD analysis are closer to the experimental results in most cases, compared to those of DeltaEC simulations. (C) 2015 Elsevier Ltd. All rights reserved.

Relay Selection with Channel Probing in Sleep-Wake Cycling Wireless Sensor Networks

In geographical forwarding of packets in a large wireless sensor network (WSN) with sleep-wake cycling nodes, we are interested in the local decision problem faced by a node that has ``custody'' of a packet and has to choose one among a set of next-hop relay nodes to forward the packet toward the sink. Each relay is associated with a ``reward'' that summarizes the benefit of forwarding the packet through that relay. We seek a solution to this local problem, the idea being that such a solution, if adopted by every node, could provide a reasonable heuristic for the end-to-end forwarding problem. Toward this end, we propose a local relay selection problem consisting of a forwarding node and a collection of relay nodes, with the relays waking up sequentially at random times. At each relay wake-up instant, the forwarder can choose to probe a relay to learn its reward value, based on which the forwarder can then decide whether to stop (and forward its packet to the chosen relay) or to continue to wait for further relays to wake up. The forwarder's objective is to select a relay so as to minimize a combination of waiting delay, reward, and probing cost. The local decision problem can be considered as a variant of the asset selling problem studied in the operations research literature. We formulate the local problem as a Markov decision process (MDP) and characterize the solution in terms of stopping sets and probing sets. We provide results illustrating the structure of the stopping sets, namely, the (lower bound) threshold and the stage independence properties. Regarding the probing sets, we make an interesting conjecture that these sets are characterized by upper bounds. Through simulation experiments, we provide valuable insights into the performance of the optimal local forwarding and its use as an end-to-end forwarding heuristic.

Halogen bonds in some dihalogenated phenols: applications to crystal engineering

3,4-Dichlorophenol (1) crystallizes in the tetragonal space group I4(1)/a with a short axis of 3.7926 (9) angstrom. The structure is unique in that both type I and type II Cl.....Cl interactions are present, these contact types being distinguished by the angle ranges of the respective C-Cl....Cl angles. The present study shows that these two types of contacts are utterly different. The crystal structures of 4-bromo-3-chlorophenol (2) and 3-bromo-4-chlorophenol (3) have been determined. The crystal structure of (2) is isomorphous to that of (1) with the Br atom in the 4-position participating in a type II interaction. However, the monoclinic P2(1)/c packing of compound (3) is different; while the structure still has O-H....O hydrogen bonds, the tetramer O-H.....O synthon seen in (1) and (2) is not seen. Rather than a type I Br....Br interaction which would have been mandated if (3) were isomorphous to (1) and (2), Br forms a Br....O contact wherein its electrophilic character is clearly evident. Crystal structures of the related compounds 4-chloro-3-iodophenol (4) and 3,5-dibromophenol (5) were also determined. A computational survey of the structural landscape was undertaken for (1), (2) and (3), using a crystal structure prediction protocol in space groups P2(1)/c and I4(1)/a with the COMPASS26 force field. While both tetragonal and monoclinic structures are energetically reasonable for all compounds, the fact that (3) takes the latter structure indicates that Br prefers type II over type I contacts. In order to differentiate further between type I and type II halogen contacts, which being chemically distinct are expected to have different distance fall-off properties, a variable-temperature crystallography study was performed on compounds (1), (2) and (4). Length variations with temperature are greater for type II contacts compared with type I. The type II Br....Br interaction in (2) is stronger than the corresponding type II Cl....Cl interaction in (1), leading to elastic bending of the former upon application of mechanical stress, which contrasts with the plastic deformation of (1). The observation of elastic deformation in (2) is noteworthy; in that it finds an explanation based on the strengths of the respective halogen bonds, it could also be taken as a good starting model for future property design. Cl/Br isostructurality is studied with the Cambridge Structural Database and it is indicated that this isostructurality is based on shape and size similarity of Cl and Br, rather than arising from any chemical resemblance.

Al based ultra-fine eutectic with high room temperature plasticity and elevated temperature strength

Developments of aluminum alloys that can retain strength at and above 250 degrees C present a significant challenge. In this paper we report an ultrafine scale Al-Fe-Ni eutectic alloy with less than 3.5 aa transition metals that exhibits room temperature ultimate tensile strength of similar to 400 MPa with a tensile ductility of 6-8%. The yield stress under compression at 300 degrees C was found to be 150 MPa. We attribute it to the refinement of the microstructure that is achieved by suction casting in copper mold. The characterization using scanning and transmission electron microscopy (SEM and TEM) reveals an unique composite structure that contains the Al-Al3Ni rod eutectic with spacing of similar to 90 nm enveloped by a lamellar eutectic of Al-Al9FeNi (similar to 140 nm). Observation of subsurface deformation under Vickers indentation using bonded interface technique reveals the presence of extensive shear banding during deformation that is responsible for the origin of ductility. The dislocation configuration in Al-Al3Ni eutectic colony indicates accommodation of plasticity in alpha-Al with dislocation accumulation at the alpha-Al/Al3Ni interface boundaries. In contrast the dislocation activities in the intermetallic lamellae are limited and contain set of planner dislocations across the plates. We present a detailed analysis of the fracture surface to rationalize the origin of the high strength and ductility in this class of potentially promising cast alloy. (C) 2015 Elsevier B.V. All rights reserved.