Calculation of point defects in rutile TiO 2 by the screened-exchange hybrid functional

The formation energies of the oxygen vacancy and titanium interstitial in rutile TiO 2 were calculated by the screened-exchange (sX) hybrid density functional method, which gives a band gap of 3.1 eV, close to the experimental value. The oxygen vacancy gives rise to a gap state lying 0.7 eV below the conduction band edge, whose charge density is localized around the two of three Ti atoms next to the vacancy. The Ti interstitial (Ti int) generates four defect states in the gap, whose unpaired electrons lie on the interstitial and the adjacent Ti 3d orbitals. The formation energy for the neutral oxygen vacancy is 1.9 eV for the O-poor chemical potential. The neutral Ti interstitial has a lower formation energy than the O vacancy under O-poor conditions. This indicates that both the O vacancy and Ti int are relevant for oxygen deficiency in rutile TiO 2 but the O vacancy will dominate under O-rich conditions. This resolves questions about defect localization and defect predominance in the literature. © 2012 American Physical Society.

Flexoelectric and elastic coefficients of odd and even homologous bimesogens.

It is known that bimesogenic liquid crystals exhibit a marked "odd-even" effect in the flexoelastic ratio (the effective flexoelectric coefficient to the average elastic coefficient), with the ratio being higher for the "odd-spaced" bimesogens (those with an odd number of alkyl groups in the spacer chain) than their neighboring even-spaced counterparts. To determine the contribution of each property to the flexoelastic ratio, we present experimental results on the flexoelectric and elastic coefficients of two homologous nonsymmetric bimesogens which possess odd and even alkyl spacers. Our results show that, although there are differences in the flexoelectric coefficients, there are substantially larger differences in the effective elastic coefficient. Specifically, the odd bimesogen is found to have both a low splay elastic coefficient and a very low bend elastic coefficient which, when combined, results in a significantly lower effective elastic coefficient and consequently a higher flexoelastic ratio.

Scale-invariant vote-based 3D recognition and registration from point clouds

This chapter presents a method for vote-based 3D shape recognition and registration, in particular using mean shift on 3D pose votes in the space of direct similarity transformations for the first time. We introduce a new distance between poses in this spacethe SRT distance. It is left-invariant, unlike Euclidean distance, and has a unique, closed-form mean, in contrast to Riemannian distance, so is fast to compute. We demonstrate improved performance over the state of the art in both recognition and registration on a (real and) challenging dataset, by comparing our distance with others in a mean shift framework, as well as with the commonly used Hough voting approach. © 2013 Springer-Verlag Berlin Heidelberg.

Evidence for X(5) critical point symmetry in 128Ce

Lifetimes of excited states in 128Ce were measured using the recoil distance Doppler-shift (RDDS) and the Doppler-shift attenuation (DSAM) methods. The experiments were performed at the Wright Nuclear Structure Laboratory of Yale University. Excited states of 128Ce were populated in the 100Mo(32Si,4n) reaction at 120 MeV and the nuclear γ decay was measured with an array of eight Clover detectors positioned at forward and backward angles. The deduced yrast transition strengths together with the energies of the levels within the ground-state (gs) band of 128Ce are in agreement with the predicted values for the X(5) critical point symmetry. Thus, we suggest 128Ce as a benchmark X(5) nucleus in the mass A ≈ 130 region. © World Scientific Publishing Company.

Oscillations in a decentralized economic network

The study of exchange markets dates back to LeonWalras's general equilibrium theory. Since then the economic market has been studied for its' equilibrium properties, fairness of allocations of private and public goods, and even the psychological incentives of participants. This paper studies the dynamics of an exchange economy built on a network of markets where consumers trade with suppliers to optimize utility. Viewing the market in as a decentralized network we study the system from the usual control theory point of view, evaluating the system's dynamic performance, stability and robustness. It is shown that certain consumer demand dynamics can lead to oscillations while others can converge to optimal allocations. © 2011 IFAC.

Thermal stratification produced by plumes and jets in enclosed spaces

The airflow and thermal stratification produced by a localised heat source located at floor level in a closed room is of considerable practical interest and is commonly referred to as a 'filling box'. In rooms with low aspect ratios H/R ≲ 1 (room height H to characteristic horizontal dimension R) the thermal plume spreads laterally on reaching the ceiling and a descending horizontal 'front' forms separating a stably stratified, warm upper region from cooler air below. The stratification is well predicted for H/R ≲ 1 by the original filling box model of Baines and Turner (J. Fluid. Mech. 37 (1968) 51). This model represents a somewhat idealised situation of a plume rising from a point source of buoyancy alone-in particular the momentum flux at the source is zero. In practical situations, real sources of heating and cooling in a ventilation system often include initial fluxes of both buoyancy and momentum, e.g. where a heating system vents warm air into a space. This paper describes laboratory experiments to determine the dependence of the 'front' formation and stratification on the source momentum and buoyancy fluxes of a single source, and on the location and relative strengths of two sources from which momentum and buoyancy fluxes were supplied separately. For a single source with a non-zero input of momentum, the rate of descent of the front is more rapid than for the case of zero source momentum flux and increases with increasing momentum input. Increasing the source momentum flux effectively increases the height of the enclosure, and leads to enhanced overturning motions and finally to complete mixing for highly momentum-driven flows. Stratified flows may be maintained by reducing the aspect ratio of the enclosure. At these low aspect ratios different long-time behaviour is observed depending on the nature of the heat input. A constant heat flux always produces a stratified interior at large times. On the other hand, a constant temperature supply ultimately produces a well-mixed space at the supply temperature. For separate sources of momentum and buoyancy, the developing stratification is shown to be strongly dependent on the separation of the sources and their relative strengths. Even at small separation distances the stratification initially exhibits horizontal inhomogeneity with localised regions of warm fluid (from the buoyancy source) and cool fluid. This inhomogeneity is less pronounced as the strength of one source is increased relative to the other. Regardless of the strengths of the sources, a constant buoyancy flux source dominates after sufficiently large times, although the strength of the momentum source determines whether the enclosure is initially well mixed (strong momentum source) or stably stratified (weak momentum source). © 2001 Elsevier Science Ltd. All rights reserved.

Material efficiency: providing material services with less material production.

Material efficiency, as discussed in this Meeting Issue, entails the pursuit of the technical strategies, business models, consumer preferences and policy instruments that would lead to a substantial reduction in the production of high-volume energy-intensive materials required to deliver human well-being. This paper, which introduces a Discussion Meeting Issue on the topic of material efficiency, aims to give an overview of current thinking on the topic, spanning environmental, engineering, economics, sociology and policy issues. The motivations for material efficiency include reducing energy demand, reducing the emissions and other environmental impacts of industry, and increasing national resource security. There are many technical strategies that might bring it about, and these could mainly be implemented today if preferred by customers or producers. However, current economic structures favour the substitution of material for labour, and consumer preferences for material consumption appear to continue even beyond the point at which increased consumption provides any increase in well-being. Therefore, policy will be required to stimulate material efficiency. A theoretically ideal policy measure, such as a carbon price, would internalize the externality of emissions associated with material production, and thus motivate change directly. However, implementation of such a measure has proved elusive, and instead the adjustment of existing government purchasing policies or existing regulations-- for instance to do with building design, planning or vehicle standards--is likely to have a more immediate effect.

Quality practices and problems in free software projects

Free software and open source projects are often perceived to be of high quality. It has been suggested that the high level of quality found in some free software projects is related to the open development model which promotes peer review. While the quality of some free software projects is comparable to, if not better than, that of closed source software, not all free software projects are successful and of high quality. Even mature and successful projects face quality problems; some of these are related to the unique characteristics of free software and open source as a distributed development model led primarily by volunteers. In exploratory interviews performed with free software and open source developers, several common quality practices as well as actual quality problems have been identified. The results of these interviews are presented in this paper in order to take stock of the current status of quality in free software projects and to act as a starting point for the implementation of quality process improvement strategies.

A performance evaluation of volumetric 3D interest point detectors

This paper presents the first performance evaluation of interest points on scalar volumetric data. Such data encodes 3D shape, a fundamental property of objects. The use of another such property, texture (i.e. 2D surface colouration), or appearance, for object detection, recognition and registration has been well studied; 3D shape less so. However, the increasing prevalence of 3D shape acquisition techniques and the diminishing returns to be had from appearance alone have seen a surge in 3D shape-based methods. In this work, we investigate the performance of several state of the art interest points detectors in volumetric data, in terms of repeatability, number and nature of interest points. Such methods form the first step in many shape-based applications. Our detailed comparison, with both quantitative and qualitative measures on synthetic and real 3D data, both point-based and volumetric, aids readers in selecting a method suitable for their application. © 2012 Springer Science+Business Media, LLC.

Single-sensor maximum power point tracking algorithms

Single-sensor maximum power point tracking algorithms for photovoltaic systems are presented. The algorithms have the features, characteristics and advantages of the widely used incremental conductance (INC) algorithm. However; unlike the INC algorithm which requires two sensors (the voltage sensor and the current sensor), the single-sensor algorithms are more desirable because they require only one sensor: the voltage sensor. The algorithms operate by maximising power at the DC-DC converter output, instead of the input. © 2013 The Institution of Engineering and Technology.

Continuous dynamical systems that realize discrete optimization on the hypercube

We study the problem of finding a local minimum of a multilinear function E over the discrete set {0,1}n. The search is achieved by a gradient-like system in [0,1]n with cost function E. Under mild restrictions on the metric, the stable attractors of the gradient-like system are shown to produce solutions of the problem, even when they are not in the vicinity of the discrete set {0,1}n. Moreover, the gradient-like system connects with interior point methods for linear programming and with the analog neural network studied by Vidyasagar (IEEE Trans. Automat. Control 40 (8) (1995) 1359), in the same context. © 2004 Elsevier B.V. All rights reserved.

Use of axially graded burnable boron for hot-spot temperature reduction in a pressurized water reactor core

Shortly after the loading of a pressurized water reactor (PWR) core, the axial power distribution in fresh fuel has already attained the characteristic, almost flat shape, typical of burned fuel. At beginning of cycle (BOC), however, the axial distribution is centrally peaked. In assemblies hosting uniform burnable boron rods, this BOC peaking is even more pronounced. A reduction in the axial peaking is today often achieved by shortening the burnable boron rods by some 30 cm at each edge. It is shown that a two-zone grading of the boron rod leads, in a representative PWR cycle, to a reduction of the hot-spot temperature of approximately 70 °C, compared with the nongraded case. However, with a proper three-zone grading of the boron rod, an additional 20 °C may be cut off the hot-spot temperature. Further, with a slightly skewed application of this three-zone grading, an additional 50 °C may be cut off. The representative PWR cycle studied was cycle 11 of the Indian Point 2 station, with a simplification in the number of fuel types and in the burnup distribution. The analysis was based on a complete three-dimensional burnup calculation. The code system was ELCOS, with BOXER as an assembly code for the generation of burnup-dependent cross sections and SILWER as a three-dimensional core code with thermal-hydraulic feedback.