Investigating thermal stability of structural defects and its effect on d(0) ferromagnetism in undoped SnO2

The effect of annealing on structural defects and d(0) ferromagnetism in SnO2 nanoparticles prepared by solution combustion method is investigated. The as-synthesized SnO2 nanoparticles were annealed at 400-800 degrees C for 2 h, in ambient conditions. The crystallinity, size, and morphology of the samples were studied using x-ray diffraction and transmission electron microscopy studies. The annealing results in grain growth due to coarsening as well as reduction in oxygen vacancies as confirmed by Raman spectroscopy, photoluminescence spectroscopy, and x-ray photoelectron spectroscopy. All the as synthesized and annealed samples exhibit room temperature ferromagnetism (RTFM) with distinct hysteresis loops and the saturation magnetization as high as similar to 0.02 emu/g in as-synthesized samples. However, the saturation magnetization is drastically reduced with increasing annealing temperature. Further the presence of singly charged oxygen vacancies (V-o(-) signal at g-value 1.99) is confirmed by electron paramagnetic resonance studies, which also diminish with increasing annealing temperature. The observed diminishing RTFM and simultaneous evidences of diminishing O vacancies clearly indicate that RTFM is driven by defects in oxide lattice and confirms primary role of oxygen vacancies in inducing ferromagnetic ordering in metal oxide semiconductors. The study also provides improved fundamental understanding regarding the ambiguity in the origin of intrinsic RTFM in semiconducting metal oxides and projects their technological application in the field of spintronics. (C) 2013 AIP Publishing LLC.

Magneto acoustical emission in nanocrystalline Mn-Zn ferrites

Mn0.4Zn0.6Fe2O4 powders were prepared by microwave hydrothermal method. The powders were characterized by X-ray diffraction, transmission electron microscope. The powders were sintered at different temperatures 400, 500, 600, 700, 800 and 900 degrees C/30 min using microwave sintering method. The grain size was estimated by scanning electron microscope. The room temperature dielectric and magnetic properties were studied in the frequency range (100 kHz-1.8 GHz). The magnetization properties were measured upto 1.5 T. The acoustic emission has been measured along the hysteresis loops from 80 K to Curie temperature. It is found that the magneto-acoustic emission (MAE) activity along hysteresis loop is proportional to the hysteresis losses during the same loop. This law has been verified on series of polycrystalline ferrites and found that the law is valid whatever the composition, the grain size and temperature. It is also found that the domain wall creation/or annihilation processes are the origin of the MAE. (C) 2013 Published by Elsevier Ltd.

Moore meets maxwell

Moore's Law has driven the semiconductor revolution enabling over four decades of scaling in frequency, size, complexity, and power. However, the limits of physics are preventing further scaling of speed, forcing a paradigm shift towards multicore computing and parallelization. In effect, the system is taking over the role that the single CPU was playing: high-speed signals running through chips but also packages and boards connect ever more complex systems. High-speed signals making their way through the entire system cause new challenges in the design of computing hardware. Inductance, phase shifts and velocity of light effects, material resonances, and wave behavior become not only prevalent but need to be calculated accurately and rapidly to enable short design cycle times. In essence, to continue scaling with Moore's Law requires the incorporation of Maxwell's equations in the design process. Incorporating Maxwell's equations into the design flow is only possible through the combined power that new algorithms, parallelization and high-speed computing provide. At the same time, incorporation of Maxwell-based models into circuit and system-level simulation presents a massive accuracy, passivity, and scalability challenge. In this tutorial, we navigate through the often confusing terminology and concepts behind field solvers, show how advances in field solvers enable integration into EDA flows, present novel methods for model generation and passivity assurance in large systems, and demonstrate the power of cloud computing in enabling the next generation of scalable Maxwell solvers and the next generation of Moore's Law scaling of systems. We intend to show the truly symbiotic growing relationship between Maxwell and Moore!

Effect of the Addition of B2O3 on the Density, Microstructure, Dielectric, Piezoelectric and Ferroelectric Properties of K0.5Na0.5NbO3 Ceramics

Boron oxide (B2O3) addition to pre-reacted K0.5Na0.5NbO3 (KNN) powders facilitated swift densification at relatively low sintering temperatures which was believed to be a key to minimize potassium and sodium loss. The base KNN powder was synthesized via solid-state reaction route. The different amounts (0.1-1 wt%) of B2O3 were-added, and ceramics were sintered at different temperatures and durations to optimize the amount of B2O3 needed to obtain KNN pellets with highest possible density and grain size. The 0.1 wt% B2O3-added KNN ceramics sintered at 1,100 A degrees C for 1 h exhibited higher density (97 %). Scanning electron microscopy studies confirmed an increase in average grain size with increasing B2O3 content at appropriate temperature of sintering and duration. The B2O3-added KNN ceramics exhibited improved dielectric and piezoelectric properties at room temperature. For instance, 0.1 wt% B2O3-added KNN ceramic exhibited d (33) value of 116 pC/N which is much higher than that of pure KNN ceramics. Interestingly, all the B2O3-added (0.1-1 wt%) KNN ceramics exhibited polarization-electric field (P vs. E) hysteresis loops at room temperature. The remnant polarization (P (r)) and coercive field (E (c)) values are dependent on the B2O3 content and crystallite size.

Size dependent structural relaxations and dielectric properties induced by surface functionalized MWNTs in poly(vinylidene fluoride)/poly(methyl methacrylate) blends

Structural dynamics, dielectric permittivity and ferroelectric properties in poly(vinylidene fluoride) (PVDF)/poly(methyl methacrylate) (PMMA) (PVDF/PMMA) blends with respect to crystalline morphology was systematically investigated in presence of amine functionalized MWNTs (NH2-MWNTs) using dielectric spectroscopy. The crystalline morphology and the crystallization driven demixing in the blends was assessed by light microscopy (LM), wide angle X-ray diffraction (WXRD) and, in situ, by shear rheology. The crystal nucleation activity of PVDF was greatly induced by NH2-MWNTs, which also showed two distinct structural relaxations in dielectric loss owing to mobility confinement of PVDF chains and smaller cooperative lengths. The presence of crystal-amorphous interphase was supported by the presence of interfacial polarization at lower frequencies in the dielectric loss spectra. On contrary, the control blends showed a single broad relaxation at higher frequency due to defective crystal nuclei. This was further supported by monitoring the dielectric relaxations during isothermal crystallization of PVDF in the blends. These observations were addressed with respect to the spherulite sizes which were observed to be larger in case of blends with NH2-MWNTs. Higher dielectric permittivity with minimal losses was also observed in blends with NH2-MWNTs as compared to neat PVDF. Polarization obtained using P-E (polarization-electric field) hysteresis loops was higher in case of blends with NH2-MWNTs in contrast to control blends and PVDF. These observations were corroborated with the charge trapped at the crystal-amorphous interphase and larger crystal sizes in the blends with NH2-MWNTs. The microstructure and localization of MWNTs were assessed using SEM.

Rheological characterization of semi-solid A356 aluminium alloy

Rheological behavior of semi-solid slurries forms the backbone of semi-solid processing of metallic alloys. In particular, the effects of several process and metallurgical parameters such as shear rate, shear time, temperature, rest time and size, distribution and morphology of the primary phase on the viscosity of the slurry needs in-depth characterization. In the present work, rheological behaviour of the semisolid aluminium alloy (A356) slurry is investigated by using a high temperature Searle type Rheometer using concentric cylinders. Three different types of experiment are carried out: isothermal test, continuous cooling test and steady state test. Continuous decrease in viscosity is observed with increasing shear rate at a fixed temperature (isothermal test). It is also found that the viscosity increases with decreasing temperature for a particular shear rate due to increasing solid fraction (continuous cooling test). Thixotropic nature of the slurry is confirmed from the hysteresis loops obtained during experimentation. Time dependence of slurry viscosity has been evaluated from the steady state tests. After a longer shearing time under isothermal conditions the starting dendritic structure of the said alloy is transformed into globular grains due to abrasion, agglomeration, welding and ripening.

A Novel Design Method for SOGI-PLL for Minimum Settling Time and Low Unit Vector Distortion

Phase-locked loops (PLLs) are necessary in grid connected systems to obtain information about the frequency, amplitude and phase of the grid voltage. In stationary reference frame control, the unit vectors of PLLs are used for reference generation. It is important that the PLL performance is not affected significantly when grid voltage undergoes amplitude and frequency variations. In this paper, a novel design for the popular single-phase PLL topology, namely the second-order generalized integrator (SOGI) based PLL is proposed which achieves minimum settling time during grid voltage amplitude and frequency variations. The proposed design achieves a settling time of less than 27.7 ms. This design also ensures that the unit vectors generated by this PLL have a steady state THD of less than 1% during frequency variations of the grid voltage. The design of the SOGI-PLL based on the theoretical analysis is validated by experimental results.

Partial Integrated Guidance and Control of Interceptors for High-Speed Ballistic Targets

A new partial integrated guidance and control design approach is proposed in this paper, which combines the benefits of both integrated guidance and control as well as the conventional guidance and control design philosophies. The proposed technique essentially operates in a two-loop structure. In the outer loop, an optimal guidance problem is formulated considering the nonlinear six degrees-of-freedom equation of motion of the interceptor. From this loop, the required pitch and yaw rates are generated by solving a nonlinear suboptimal guidance formulation in a computationally efficient manner while simultaneously assuring roll stabilization. Next, the inner loop tracks these outer loop body rate commands. This manipulation of the six degrees-of-freedom dynamics in both loops preserves the inherent time scale separation property between the translational and rotational dynamics, while retaining the philosophy of integrated guidance and control design as well. Because of this, the tuning process is quite straightforward and nontedious as well. Extensive six degrees-of-freedom simulations studies have been carried out, considering three-dimensional engagement geometry, to demonstrate the effectiveness of the proposed new design approach engaging high-speed ballistic targets. A variety of comparison studies have also been carried out to demonstrate the effectiveness of the proposed approach.

Dielectric relaxation and anti-ferromagnetic coupling of BiEu03 and BiGd03

BiEuO3 (BE) and BiGdO3 (BG) are synthesized by the solid-state reaction technique. Rietveld refinement of the X-ray diffraction data shows that the samples are crystallized in cubic phase at room temperature having Fm3m symmetry with the lattice parameters of 5.4925(2) and 5.4712(2) A for BE and BG, respectively. Raman spectra of the samples are investigated to obtain the phonon modes of the samples. The dielectric properties of the samples are investigated in the frequency range from 42 Hz to 1.1 MHz and in the temperature range from 303 K to 673 K. An analysis of the real and imaginary parts of impedance is performed assuming a distribution of relaxation times as confirmed by the Cole-Cole plots. The frequency-dependent maxima in the loss tangent are found to obey an Arrhenius law with activation energy similar to 1 eV for both the samples. The frequency-dependent electrical data are also analyzed in the framework of conductivity formalism. Magnetization of the samples are measured under the field cooled (EC) and zero field cooled (ZFC) modes in the temperature range from 5 K to 300 K applying a magnetic Field of 500 Oe. The FC and ZFC susceptibilities show that BE is a Van Vleck paramagnetic material with antiferromagnetic coupling at low temperature whereas BG is an anti-ferromagnetic system. The results are substantiated by the M-11 loops of the materials taken at 5 K in the ZFC mode. (C) 2014 Elsevier B.V. All rights reserved

Characterizing Frictional Contact Loading via Isochromatics

Isochromatic patterns in the vicinity of frictional contacts furnish vital clues for characterizing friction. Though friction effects are evident in a diametrally loaded circular disk, three-point loading provides better results towards highlighting friction. In this paper, a new method of characterizing friction at loading contacts using photoelastic isochromatics patterns is presented. Location of isotropic points (IPs) formed in three-point and four-point loadings of circular disk is used as a main tool to quantify the friction component using theoretical analysis. Bifurcation of isochromatic fringe loops near the distributed loads is explained by the presence of anti-symmetric Hertzian shear traction in addition to Hertzian normal traction. The classical solution by Flamant for point load at the edge of half plane is used to derive stresses in circular disk for all required loading configurations. A semicircualr ring under three-point loading is examined using photoelasticity to understand the isochromatics pattern theoretically by considering normal and shear traction components at loaded regions.

Ferroelectric and optical properties of Ba5Li2Ti2Nb8O30 ceramics potential for memory applications

Giant grained (42 mu m) translucent Ba5Li2Ti2Nb8O30 ceramic was fabricated by conventional sintering technique using the powders obtained via solid state reaction route. These samples were confirmed to possess tetragonal tungsten bronze structure (P4bm) at room temperature. The scanning electron microscopy established the average grain size to be close to 20 mu m. The photoluminescence studies carried out on these ceramics indicated sharp emission bands around 433 and 578 nm at an excitation wavelength of 350 nm which were attributed to band-edge emission as the band gap was 2.76 eV determined by Kubelka-Munk function. The dielectric properties of these ceramics were studied over wide frequency range (100-1 MHz) at room temperature. The decrease in dielectric constant with frequency could be explained on the basis of Koops theory. The dielectric constant and the loss were found to decrease with increasing frequency. The Curie temperature was confirmed to be similar to 370 A degrees C based on the dielectric anomaly observed when these measurements were carried out over a temperature range of 30-500 A degrees C. This shows a deviation from Curie-Weiss behaviour and hence an indicator of the occurrence of disordering in the system, the gamma = 1.23 which confirms the diffuse ferroelectric transition. These ceramics at room temperature exhibited P-E hysteresis loops, though not well saturated akin to that of their single crystalline counterparts. These are the suitable properties for ferroelectric random access memory applications.

PROPENSITIES OF AMINO ACID RESIDUES IN PROTEINS FOR DIFFERENT REGIONS OF THE RAMACHANDRAN MAP

Using a dataset of 1164 crystal structures of largely non-homologous proteins defined at a resolution of 1.5 angstrom or better, we have investigated the (phi,psi) preferences of 20 residue types by considering the residues which occur in loops. Propensities of residue types to occur in the loops with (phi,psi) values in the aa region of the Ramachandran map has a poor correlation coefficient of 0.48 to the Chou-Fasman propensities of the residue types to occur in the a-helical segments. However the correlation coefficient between propensities of residues in loops to adopt beta conformations and those in beta-sheet is much higher (0.95). These observations suggest that a-helix formation is well influenced by the local amino acid sequence while intrinsic preference of residue types for beta-sheet plays a major role in the formation of beta-sheet. The main chain polar groups of residues in loops, that can affect the (phi,psi) values, can be involved in intra-molecular hydrogen bonding. Therefore we investigated further by considering subset of residues in loops with low (0 to 2) number of intra-molecular hydrogen bonds per residue involving main chain polar atoms. For this subset, the correlation coefficients between propensities for alpha-helix and alpha(R) region and between beta-sheet and beta-region are 0.26 and 0.64 respectively. This reiterates higher intrinsic tendency of beta-region favouring residues to adopt beta-sheet than alpha(R) region favouring residues to adopt alpha-helical structure.

Generating Efficient Data Movement Code for Heterogeneous Architectures with Distributed-Memory

Programming for parallel architectures that do not have a shared address space is extremely difficult due to the need for explicit communication between memories of different compute devices. A heterogeneous system with CPUs and multiple GPUs, or a distributed-memory cluster are examples of such systems. Past works that try to automate data movement for distributed-memory architectures can lead to excessive redundant communication. In this paper, we propose an automatic data movement scheme that minimizes the volume of communication between compute devices in heterogeneous and distributed-memory systems. We show that by partitioning data dependences in a particular non-trivial way, one can generate data movement code that results in the minimum volume for a vast majority of cases. The techniques are applicable to any sequence of affine loop nests and works on top of any choice of loop transformations, parallelization, and computation placement. The data movement code generated minimizes the volume of communication for a particular configuration of these. We use a combination of powerful static analyses relying on the polyhedral compiler framework and lightweight runtime routines they generate, to build a source-to-source transformation tool that automatically generates communication code. We demonstrate that the tool is scalable and leads to substantial gains in efficiency. On a heterogeneous system, the communication volume is reduced by a factor of 11X to 83X over state-of-the-art, translating into a mean execution time speedup of 1.53X. On a distributed-memory cluster, our scheme reduces the communication volume by a factor of 1.4X to 63.5X over state-of-the-art, resulting in a mean speedup of 1.55X. In addition, our scheme yields a mean speedup of 2.19X over hand-optimized UPC codes.

Phylogenetic relationships and classification of thiolases and thiolase-like proteins of Mycobacterium tuberculosis and Mycobacterium smegmatis

Thiolases are enzymes involved in lipid metabolism. Thiolases remove the acetyl-CoA moiety from 3-ketoacyl-CoAs in the degradative reaction. They can also catalyze the reverse Claisen condensation reaction, which is the first step of biosynthetic processes such as the biosynthesis of sterols and ketone bodies. In human, six distinct thiolases have been identified. Each of these thiolases is different from the other with respect to sequence, oligomeric state, substrate specificity and subcellular localization. Four sequence fingerprints, identifying catalytic loops of thiolases, have been described. In this study genome searches of two mycobacterial species (Mycobacterium tuberculosis and Mycobacterium smegmatis), were carried out, using the six human thiolase sequences as queries. Eight and thirteen different thiolase sequences were identified in M. tuberculosis and M. smegmatis, respectively. In addition, thiolase-like proteins (one encoded in the Mtb and two in the Msm genome) were found. The purpose of this study is to classify these mostly uncharacterized thiolases and thiolase-like proteins. Several other sequences obtained by searches of genome databases of bacteria, mammals and the parasitic protist family of the Trypanosomatidae were included in the analysis. Thiolase-like proteins were also found in the trypanosomatid genomes, but not in those of mammals. In order to study the phylogenetic relationships at a high confidence level, additional thiolase sequences were included such that a total of 130 thiolases and thiolase-like protein sequences were used for the multiple sequence alignment. The resulting phylogenetic tree identifies 12 classes of sequences, each possessing a characteristic set of sequence fingerprints for the catalytic loops. From this analysis it is now possible to assign the mycobacterial thiolases to corresponding homologues in other kingdoms of life. The results of this bioinformatics analysis also show interesting differences between the distributions of M. tuberculosis and M. smegmatis thiolases over the 12 different classes. (C) 2014 Elsevier Ltd. All rights reserved.

Process induced electroactive beta-polymorph in PVDF: effect on dielectric and ferroelectric properties

The effects of various processing conditions, like annealing, poling, mechanical rolling and their combinations, on the dielectric and ferroelectric properties of PVDF poly(vinylidene fluoride)] were systematically studied in this work. Further, the effect of processing sequence on the structure and properties was investigated. While all the processing conditions adopted here resulted in phase transformation of the alpha- to electroactive beta-polymorph in PVDF, the fraction of beta-phase developed was observed to be strongly contingent on the adopted process. The transformation of alpha- to electroactive beta-polymorph was determined by X-ray diffraction and FTIR. The neat PVDF showed only beta-phase, whereas mechanically rolled samples exhibited the highest ca. 85% beta-phase in PVDF. Both the permittivity and the loss tangent decreased in the samples which had undergone different processing conditions. The polarization-electric field (P-E) loops for all the samples were evaluated. Interestingly, the energy density, estimated from the electrical displacement-electric field (D-E) loops, was observed to be highest for the poled samples which were initially rolled. The results indicate that various processing conditions can influence the dielectric and the ferroelectric properties differently.