An electron rich porous extended framework as a heterogeneous catalyst for Diels-Alder reactions

An electron rich porous metal-organic framework (MOF) has been synthesized, which acts as an effective heterogeneous catalyst for Diels-Alder reactions through encapsulation of the reactants in confined nano-channels of the framework.

Proposal for Graphene-Boron Nitride Heterobilayer-Based Tunnel FET

We investigate the gate-controlled direct band-to-band tunneling (BTBT) current in a graphene-boron nitride (G-BN) heterobilayer channel-based tunnel field effect transistor. We first study the imaginary band structure of hexagonal and Bernal-stacked heterobilayers by density functional theory, which is then used to evaluate the gate-controlled current under the Wentzel-Kramers-Brillouin approximation. It is shown that the direct BTBT is probable for a certain interlayer spacing of the G-BN which depends on the stacking orders.

Shape-function-relationship (SFR) framework for semantic interoperability of product model

The problem of semantic interoperability arises while integrating applications in different task domains across the product life cycle. A new shape-function-relationship (SFR) framework is proposed as a taxonomy based on which an ontology is developed. Ontology based on the SFR framework, that captures explicit definition of terminology and knowledge relationships in terms of shape, function and relationship descriptors, offers an attractive approach for solving semantic interoperability issue. Since all instances of terms are based on single taxonomy with a formal classification, mapping of terms requires a simple check on the attributes used in the classification. As a preliminary study, the framework is used to develop ontology of terms used in the aero-engine domain and the ontology is used to resolve the semantic interoperability problem in the integration of design and maintenance. Since the framework allows a single term to have multiple classifications, handling context dependent usage of terms becomes possible. Automating the classification of terms and establishing the completeness of the classification scheme are being addressed presently.

A matroidal framework for network-error correcting codes

Matroidal networks were introduced by Dougherty et al. and have been well studied in the recent past. It was shown that a network has a scalar linear network coding solution if and only if it is matroidal associated with a representable matroid. The current work attempts to establish a connection between matroid theory and network-error correcting codes. In a similar vein to the theory connecting matroids and network coding, we abstract the essential aspects of network-error correcting codes to arrive at the definition of a matroidal error correcting network. An acyclic network (with arbitrary sink demands) is then shown to possess a scalar linear error correcting network code if and only if it is a matroidal error correcting network associated with a representable matroid. Therefore, constructing such network-error correcting codes implies the construction of certain representable matroids that satisfy some special conditions, and vice versa.

An exploration framework to identify and track movement of cloud systems

We describe a framework to explore and visualize the movement of cloud systems. Using techniques from computational topology and computer vision, our framework allows the user to study this movement at various scales in space and time. Such movements could have large temporal and spatial scales such as the Madden Julian Oscillation (MJO), which has a spatial scale ranging from 1000 km to 10000 km and time of oscillation of around 40 days. Embedded within these larger scale oscillations are a hierarchy of cloud clusters which could have smaller spatial and temporal scales such as the Nakazawa cloud clusters. These smaller cloud clusters, while being part of the equatorial MJO, sometimes move at speeds different from the larger scale and in a direction opposite to that of the MJO envelope. Hitherto, one could only speculate about such movements by selectively analysing data and a priori knowledge of such systems. Our framework automatically delineates such cloud clusters and does not depend on the prior experience of the user to define cloud clusters. Analysis using our framework also shows that most tropical systems such as cyclones also contain multi-scale interactions between clouds and cloud systems. We show the effectiveness of our framework to track organized cloud system during one such rainfall event which happened at Mumbai, India in July 2005 and for cyclone Aila which occurred in Bay of Bengal during May 2009.

Multivariate Granger causality: an estimation framework based on factorization of the spectral density matrix

Granger causality is increasingly being applied to multi-electrode neurophysiological and functional imaging data to characterize directional interactions between neurons and brain regions. For a multivariate dataset, one might be interested in different subsets of the recorded neurons or brain regions. According to the current estimation framework, for each subset, one conducts a separate autoregressive model fitting process, introducing the potential for unwanted variability and uncertainty. In this paper, we propose a multivariate framework for estimating Granger causality. It is based on spectral density matrix factorization and offers the advantage that the estimation of such a matrix needs to be done only once for the entire multivariate dataset. For any subset of recorded data, Granger causality can be calculated through factorizing the appropriate submatrix of the overall spectral density matrix.

Effect of substituent position on optical properties of boron-dipyrromethane isomers

Three isomeric meso-SiMe3C6H4 substituted BODIPYs have been synthesized and their optical properties studied. The constitutional isomers show similar absorption properties but vastly different emissive properties as a result of their different conformational flexibility. Fluorine-19 NMR study is used to unravel the conformational state of the BODIPY isomers at a molecular level. (C) 2013 Elsevier B. V. All rights reserved.

Performance analysis of boron nitride embedded armchair graphene nanoribbon metal-oxide-semiconductor field effect transistor with Stone Wales defects

We study the performance of a hybrid Graphene-Boron Nitride armchair nanoribbon (a-GNR-BN) n-MOSFET at its ballistic transport limit. We consider three geometric configurations 3p, 3p + 1, and 3p + 2 of a-GNR-BN with BN atoms embedded on either side (2, 4, and 6 BN) on the GNR. Material properties like band gap, effective mass, and density of states of these H-passivated structures are evaluated using the Density Functional Theory. Using these material parameters, self-consistent Poisson-Schrodinger simulations are carried out under the Non Equilibrium Green's Function formalism to calculate the ballistic n-MOSFET device characteristics. For a hybrid nanoribbon of width similar to 5 nm, the simulated ON current is found to be in the range of 265 mu A-280 mu A with an ON/OFF ratio 7.1 x 10(6)-7.4 x 10(6) for a V-DD = 0.68 V corresponding to 10 nm technology node. We further study the impact of randomly distributed Stone Wales (SW) defects in these hybrid structures and only 2.5% degradation of ON current is observed for SW defect density of 3.18%. (C) 2014 AIP Publishing LLC.

Chirality dependent elastic properties of single-walled boron nitride nanotubes under uniaxial and torsional loading

The elastic behavior of single-walled boron nitride nanotubes is studied under axial and torsional loading. Molecular dynamics simulation is carried out with a tersoff potential for modeling the interatomic interactions. Different chiral configurations with similar diameter are considered to study the effect of chirality on the elastic and shear moduli. Furthermore, the effects of tube length on elastic modulus are also studied by considering different aspects ratios. It is observed that both elastic and shear moduli depend upon the chirality of a nanotube. For aspect ratios less than 15, the elastic modulus reduces monotonically with an increase in the chiral angle. For chiral nanotubes, the torsional response shows a dependence on the direction of loading. The difference between the shear moduli against and along the chiral twist directions is maximum for chiral angle of 15 degrees, and zero for zigzag (0 degrees) and armchair (30 degrees) configurations. (C) 2014 AIP Publishing LLC.

Effect of nanoscale boron carbide particle addition on the microstructural evolution and mechanical response of pure magnesium

In this study, the effect of nano-B4C addition on the microstructural and the mechanical behavior of pure Mg are investigated. Pure Mg-metal reinforced with different amounts of nano-size B4C particulates were synthesized using the disintegrated melt deposition technique followed by hot extrusion. Microstructural characterization of the developed Mg/x-B4C composites revealed uniform distribution of nano-B4C particulates and significant grain refinement. Electron back scattered diffraction (EBSD) analyses showed presence of relatively more recrystallized grains and absence of fiber texture in Mg/B4C nanocomposites when compared to pure Mg. The evaluation of mechanical properties indicated a significant improvement in tensile properties of the composites. The significant improvement in tensile ductility (similar to 180% increase with respect to pure Mg) is among the highest observed when compared to the pure Mg based nanocomposites existing in the current literature. The superior mechanical properties of the Mg/B4C nanocomposites are attributed to the uniform distribution of the nanoparticles and the tendency for texture randomization (absence of fiber texture) achieved due to the nano-B4C addition. (C) 2013 Elsevier Ltd. All rights reserved.

Enhancement in creep resistance of Ti-6Al-4V alloy due to boron addition

The addition of B, up to about 0.1 wt%, to Ti-6Al-4V (Ti64) reduces its as-cast grain and colony sizes by an order of magnitude. In this paper, the creep resistance of this alloy modified with 0.06 and 0.11 wt% B additions was investigated in the temperature range of 475-550 degrees C and compared with that of the base alloy. Conventional dead-weight creep tests as well as stress relaxation tests were employed for this purpose. Experimental results show that the B addition enhances both elevated temperature strength and creep properties of Ti64, especially at the lower end of the temperatures investigated. The steady state creep rate in the alloy with 0.11 wt% B was found to be an order of magnitude lower than that in the base alloy, and both the strain at failure as well as the time for rupture increases with the B content. These marked improvements in the creep resistance due to B addition to Ti64 were attributed primarily to the increased number of inter-phase interfaces - a direct consequence of the microstructural refinement that occurs with the B addition - that provide resistance to dislocation motion. (C) 2014 Elsevier B.V. All rights reserved.

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%.

Going beyond Red with a Tri- and Tetracoordinate Boron Conjugate: Intriguing Near-IR Optical Properties and Applications in Anion Sensing

The design and synthesis of a new tri- and tetracoordinate boron conjugate is reported. The conjugate shows broad near-IR emission (similar to 625-850 nm) and is found to be a selective colorimetric and ratiometric sensor for fluoride ions.