Current‐limiting action of mixed‐phase BaTiO3 ceramic semiconductors

Stable and highly reproducible current‐limiting characteristics are observed for polycrystalline ceramics prepared by sintering mixtures of coarse‐grained, donor‐doped BaTiO3 (tetragonal) as the major phase and ultrafine, undoped cubic perovskite such as BaSnO3, BaZrO 3, SrTiO3, or BaTiO3 (cubic). The linear current‐voltage (I‐V) relation changes over to current limiting as the field strength increases, when thermal equilibrium is attained. The grain‐boundary layers with low donor and high Sn, Zr, or Sr have depleted charge carrier density as compared to that in the grain bulk. The voltage drop at the grain‐boundary layers diminishes the temperature gradient between the interior and surface regions.

Computer simulation of liquid crystals

In this article we review the current status in the modelling of both thermotropic and lyotropic Liquid crystal. We discuss various coarse-graining schemes as well as simulation techniques such as Monte Carlo (MC) and Molecular dynamics (MD) simulations.In the area of MC simulations we discuss in detail the algorithm for simulating hard objects such as spherocylinders of various aspect ratios where excluded volume interaction enters in the simulation through overlap test. We use this technique to study the phase diagram, of a special class of thermotropic liquid crystals namely banana liquid crystals. Next we discuss a coarse-grain model of surfactant molecules and study the self-assembly of the surfactant oligomers using MD simulations. Finally we discuss an atomistically informed coarse-grained description of the lipid molecules used to study the gel to liquid crystalline phase transition in the lipid bilayer system.

Synthesis, Thermal stability and Mechanical Behavior of Nano-Nickel

Nanocrystalline materials exhibit very high strengths compared to conventional materials, but their thermal stability may be poor. Electrodeposition is one of the promising methods for obtaining dense nanomaterials. It is shown that use of two different baths and appropriate conditions enables the production of nano-Ni with properties similar to commercially available materials. Microindentation experiments revealed a four fold increase in hardness value for nano-Ni compared to conventional coarse grained Ni. An improved thermal stability of nano-Ni was observed on co-deposition of nano-Al2O3particles.

Yielding and large deviations in micellar gels: a model

We present a simple model that can be used to account for the rheological behaviour observed in recent experiments on micellar gels. The model combines attachment detachment kinetics with stretching due to shear, and shows well-defined jammed and flowing states. The large-deviation function (LDF) for the coarse-grained velocity becomes increasingly non-quadratic as the applied force F is increased, in a range near the yield threshold. The power fluctuations are found to obey a steady-state fluctuation relation (FR) at small F. However, the FR is violated when F is near the transition from the flowing to the jammed state although the LDF still exists; the antisymmetric part of the LDF is found to be nonlinear in its argument. Our approach suggests that large fluctuations and motion in a direction opposite to an imposed force are likely to occur in a wider class of systems near yielding.

Grain-Size Effects on the High-Temperature Oxidation of Modified 304 Austenitic Stainless Steel

The high-temperature oxidation behavior of modified 304 austenitic stainless steels in a water vapor atmosphere was investigated. Samples were prepared by various thermo mechanical treatments to result in different grain sizes in the range 8-30 mu m. Similar I 3 pound grain boundary fraction was achieved to eliminate any grain-boundary characteristics effect. Samples were oxidized in an air furnace at 700 A degrees C with 20 % water vapor atmosphere. On the fine-grained sample, a uniform Cr2O3 layer was formed, which increased the overall oxidation resistance. Whereas on the coarse-grained sample, an additional Fe2O3 layer formed on the Cr-rich oxide layer, which resulted in a relatively high oxidation rate. In the fine-grained sample, grain boundaries act as rapid diffusion paths for Cr and provided enough Cr to form Cr2O3 oxide on the entire sample surface.

Constraints on Be-10 and Ca-41 distribution in the early solar system from Al-26 and Be-10 studies of Efremovka CAIs

Three refractory coarse grained CAIs from the Efremovka CV3 chondrite, one (E65) previously shown to have formed with live Ca-41, were studied by ion microprobe for their Al-26-Mg-26 and Be-10-B-10 systematic in order to better understand the origin of Be-10. The high precision Al-Mg data and the inferred Al-26/Al-27 values attest that the precursors of the three CAIs evolved in the solar nebula over a period of few hundred thousand years before last melting-crystallization events. The initial Be-10/Be-9 ratios and delta B-10 values defined by the Be-10 isochrons for the three Efremovka CAIs are similar within errors. The CAI Be-10 abundance in published data underscores the large range for initial Be-10/Be-9 ratios. This is contrary to the relatively small range of Al-26/Al-27 variations in CAIs around the canonical ratio. Two models that could explain the origin of this large Be-10/Be-9 range are assessed from the collateral variations predicted for the initial delta B-10 values: (i) closed system decay of Be-10 from a ``canonical'' Be-10/Be-9 ratio and (ii) formation of CAIs from a mixture of solid precursors and nebula gas irradiated during up to a few hundred thousand years. The second scenario is shown to be the most consistent with the data. This shows that the major fraction of Be-10 in CAIs was produced by irradiation of refractory grains, while contributions of galactic cosmic rays trapping and early solar wind irradiation are less dominant. The case for Be-10 production by solar cosmic rays irradiation of solid refractory precursors poses a conundrum for Ca-41 because the latter is easily produced by irradiation and should be more abundant than what is observed in CAIs. Be-10 production by irradiation from solar energetic particles requires high Ca-41 abundance in early solar system, however, this is not observed in CAIs. (C) 2013 Elsevier B.V. All rights reserved.

Resource usage monitoring for KVM based virtual machines

Realization of cloud computing has been possible due to availability of virtualization technologies on commodity platforms. Measuring resource usage on the virtualized servers is difficult because of the fact that the performance counters used for resource accounting are not virtualized. Hence, many of the prevalent virtualization technologies like Xen, VMware, KVM etc., use host specific CPU usage monitoring, which is coarse grained. In this paper, we present a performance monitoring tool for KVM based virtualized machines, which measures the CPU overhead incurred by the hypervisor on behalf of the virtual machine along-with the CPU usage of virtual machine itself. This fine-grained resource usage information, provided by the above tool, can be used for diverse situations like resource provisioning to support performance associated QoS requirements, identification of bottlenecks during VM placements, resource profiling of applications in cloud environments, etc. We demonstrate a use case of this tool by measuring the performance of web-servers hosted on a KVM based virtualized server.

Elastic Resources Framework in IaaS, preserving performance SLAs

Elasticity in cloud systems provides the flexibility to acquire and relinquish computing resources on demand. However, in current virtualized systems resource allocation is mostly static. Resources are allocated during VM instantiation and any change in workload leading to significant increase or decrease in resources is handled by VM migration. Hence, cloud users tend to characterize their workloads at a coarse grained level which potentially leads to under-utilized VM resources or under performing application. A more flexible and adaptive resource allocation mechanism would benefit variable workloads, such as those characterized by web servers. In this paper, we present an elastic resources framework for IaaS cloud layer that addresses this need. The framework provisions for application workload forecasting engine, that predicts at run-time the expected demand, which is input to the resource manager to modulate resource allocation based on the predicted demand. Based on the prediction errors, resources can be over-allocated or under-allocated as compared to the actual demand made by the application. Over-allocation leads to unused resources and under allocation could cause under performance. To strike a good trade-off between over-allocation and under-performance we derive an excess cost model. In this model excess resources allocated are captured as over-allocation cost and under-allocation is captured as a penalty cost for violating application service level agreement (SLA). Confidence interval for predicted workload is used to minimize this excess cost with minimal effect on SLA violations. An example case-study for an academic institute web server workload is presented. Using the confidence interval to minimize excess cost, we achieve significant reduction in resource allocation requirement while restricting application SLA violations to below 2-3%.

A Stochastic Chemical Dynamic Approach to Correlate Autoimmunity and Optimal Vitamin-D Range

Motivated by several recent experimental observations that vitamin-D could interact with antigen presenting cells (APCs) and T-lymphocyte cells (T-cells) to promote and to regulate different stages of immune response, we developed a coarse grained but general kinetic model in an attempt to capture the role of vitamin-D in immunomodulatory responses. Our kinetic model, developed using the ideas of chemical network theory, leads to a system of nine coupled equations that we solve both by direct and by stochastic (Gillespie) methods. Both the analyses consistently provide detail information on the dependence of immune response to the variation of critical rate parameters. We find that although vitamin-D plays a negligible role in the initial immune response, it exerts a profound influence in the long term, especially in helping the system to achieve a new, stable steady state. The study explores the role of vitamin-D in preserving an observed bistability in the phase diagram (spanned by system parameters) of immune regulation, thus allowing the response to tolerate a wide range of pathogenic stimulation which could help in resisting autoimmune diseases. We also study how vitamin-D affects the time dependent population of dendritic cells that connect between innate and adaptive immune responses. Variations in dose dependent response of anti-inflammatory and pro-inflammatory T-cell populations to vitamin-D correlate well with recent experimental results. Our kinetic model allows for an estimation of the range of optimum level of vitamin-D required for smooth functioning of the immune system and for control of both hyper-regulation and inflammation. Most importantly, the present study reveals that an overdose or toxic level of vitamin-D or any steroid analogue could give rise to too large a tolerant response, leading to an inefficacy in adaptive immune function.

Effect of adsorbate loading on selectivity during adsorption of C/C and C/C n-alkane binary mixtures in silicalite

Adsorption experiments of mixtures of long chain alkanes into silicalite under liquid phase conditions show selectivity inversion and azeotrope formation. These effects are due to the subtle interplay between the size of the adsorbed molecules and pore topology of the adsorbent. In this study, the selective uptake of lighter component during liquid phase adsorption of C/C and C/C n-alkane binary mixtures in the zeolite silicalite is understood through configurational bias grand-canonical Monte Carlo molecular simulation technique and a coarse-grained siting analysis. The simulations are conducted under conditions of low and intermediate levels of loading. The siting pattern of the adsorbates inside the zeolite pores explain the selectivity as seen in experiments.

Influence of soil grading on the characteristics of cement stabilised soil compacts

The paper deals with experimental investigations aiming at specifying optimum soil grading limits for the production of cement stabilised soil bricks (CSSB). Wide range of soil grading curves encompassing both fine and coarse grained soils were considered. Strength, durability and absorption characteristics of CSSB were examined considering 14 different types of soil grading curves and three cement contents. The investigations show that there is optimum clay content for the soil mix which yields maximum compressive strength for CSSB and the optimum clay content is about 10 and 14 % for fine grained and coarse grained soils respectively. Void ratio of the compacted specimens is the lowest at the optimum clay content and therefore possesses maximum strength at that point. CSSB using fine grained soils shows higher strength and better durability characteristics when compared to the bricks using coarse grained soils.

Nature of the effective interaction between dendrimers

We have performed fully atomistic classical molecular dynamics simulations to calculate the effective interaction between two polyamidoamine dendrimers. Using the umbrella sampling technique, we have obtained the potential of mean force (PMF) between the dendrimers and investigated the effects of protonation level and dendrimer size on the PMF. Our results show that the interaction between the dendrimers can be tuned from purely repulsive to partly attractive by changing the protonation level. The PMF profiles are well-fitted by the sum of an exponential and a Gaussian function with the weight of the exponential function dominating over that of the Gaussian function. This observation is in disagreement with the results obtained in previous analytic C. Likos, M. Schmidt, H. Lowen, M. Ballauff, D. Potschke, and P. Lindner, Macromolecules 34, 2914 (2001)] and coarse-grained simulation I. Gotze, H. Harreis, and C. Likos, J. Chem. Phys. 120, 7761 (2004)] studies which predicted the effective interaction to be Gaussian. (C) 2014 AIP Publishing LLC.

Relaxor behaviour in BaBi4Ti4O15 ceramics fabricated using the powders obtained by mechanochemically assisted synthesis route

Mechanochemically activated reactants were found to facilitate the synthesis of fine powders comprising 200-400 nm range crystallites of BaBi4Ti4O15 at a significantly lower temperature (700 A degrees C) than that of solid-state reaction route. Reactants (CaCO3, Bi2O3 and TiO2) in stoichiometric ratio were ball milled for 48 h to obtain homogeneous mixture. The evolution of the BaBi4Ti4O15 phase was systematically followed using X-ray powder diffraction (XRD) technique. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) were employed to probe its structural and microstructural details. The electron diffraction studies established the presence of correlated octahedral rotations and associated long-range polar ordering. High-resolution TEM imaging nevertheless revealed structural inhomogeneities leading to intergrowth defects. Dense BaBi4Ti4O15 ceramics with an average grain size of 0.9 mu m were fabricated using mechanochemically assisted synthesized powders at relatively low temperature (1000 A degrees C). The effect of grain size on the dielectric and relaxor behaviour of BaBi4Ti4O15 ceramics was investigated. Fine-grained ceramics (average grain size similar to 0.9 mu m) showed higher diffusion in phase transition, lower temperature of phase transition, lower Vogel-Fulcher freezing temperature and higher activation energy for the polarization reversal than those for coarse-grained ceramics (average grain size similar to 7 mu m) fabricated via the conventional solid-state reaction route.

Efficient QR Decomposition Using Low Complexity Column-wise Givens Rotation (CGR)

QR decomposition (QRD) is a widely used Numerical Linear Algebra (NLA) kernel with applications ranging from SONAR beamforming to wireless MIMO receivers. In this paper, we propose a novel Givens Rotation (GR) based QRD (GR QRD) where we reduce the computational complexity of GR and exploit higher degree of parallelism. This low complexity Column-wise GR (CGR) can annihilate multiple elements of a column of a matrix simultaneously. The algorithm is first realized on a Two-Dimensional (2 D) systolic array and then implemented on REDEFINE which is a Coarse Grained run-time Reconfigurable Architecture (CGRA). We benchmark the proposed implementation against state-of-the-art implementations to report better throughput, convergence and scalability.

Dissecting Ubiquitin Folding Using the Self-Organized Polymer Model

Folding of Ubiquitin (Ub), a functionally important protein found in eukaryotic organisms, is investigated at low and neutral pH at different temperatures using simulations of the coarse-grained self-organized-polymer model with side chains (SOP-SC). The melting temperatures (T-m's), identified with the peaks in the heat capacity curves, decrease as pH decreases, in qualitative agreement with experiments. The calculated radius of gyration, showing dramatic variations with pH, is in excellent agreement with scattering experiments. At T-m Ub folds in a two-state manner at low and neutral pH. Clustering analysis of the conformations sampled in equilibrium folding trajectories at T-m with multiple transitions between the folded and unfolded states, shows a network of metastable states connecting the native and unfolded states. At low and neutral pH, Ub folds with high probability through a preferred set of conformations resulting in a pH-dependent dominant folding pathway. Folding kinetics reveal that Ub assembly at low pH occurs by multiple pathways involving a combination of nucleation-collapse and diffusion collision mechanism. The mechanism by which Ub folds is dictated by the stability of the key secondary structural elements responsible for establishing long-range contacts and collapse of Ub. Nucleation collapse mechanism holds if the stability of these elements are marginal, as would be the case at elevated temperatures. If the lifetimes associated with these structured microdomains are on the order of hundreds of microseconds, then Ub folding follows the diffusion collision mechanism with intermediates, many of which coincide with those found in equilibrium. Folding at neutral pH is a sequential process with a populated intermediate resembling that sampled at equilibrium. The transition state structures, obtained using a P-fold analysis, are homogeneous and globular with most of the secondary and tertiary structures being native-like. Many of our findings for both the thermodynamics and kinetics of folding are not only in agreement with experiments but also provide missing details not resolvable in standard experiments. The key prediction that folding mechanism varies dramatically with pH is amenable to experimental tests.