A Selected Ion Flow Tube Study of the Reactions of Several Cations with the Group 6B Hexafluorides SF6, SeF6, and TeF6

The first investigation of the ion chemistry of SeF$_6$ and TeF$_6$ is presented. Using a selected ion flow tube, the thermal rate coefficients and ion product distributions have been determined at 300 K for the reactions of fourteen atomic and molecular cations, namely H$_3$O$^+$, CF$_3^+$, CF$^+$, CF$_2^+$, H$_2$O$^+$, N$_2$O$^+$, O$^+$, CO$_2^+$, CO$^+$, N$^+$, N$_2^+$, Ar$^+$, F$^+$ and Ne$^+$ (in order of increasing recombination energy), with SeF$_6$ and TeF$_6$. The results are compared with those from the reactions of these ions with SF$_6$, for which the reactions with CF$^+$, CF$_2^+$, N$_2$O$^+$ and F$^+$ are reported for the first time. Several distinct processes are observed amongst the large number of reactions studied, including dissociative charge transfer, and F$^-$, F, F$_2^-$ and F$_2$ abstraction from the neutral reactant molecule to the reagent ion. The dissociative charge transfer channels are discussed in relation to vacuum ultraviolet photoelectron and threshold photoelectron-photoion coincidence spectra of XF$_6$ (X = S, Se, and Te). For reagent ions whose recombination energies lie between the first dissociative ionisation limit, XF$_6$ $\rightarrow$ XF$_5^+$ + F + e$^-$, and the onset of ionisation of the XF$_6$ molecule, the results suggest that if dissociative charge transfer occurs, it proceeds via an intimate encounter. For those reagent ions whose recombination energies are greater than the onset of ionisation, long-range electron transfer may occur depending on whether certain physical factors apply, for example non-zero Franck-Condon overlap. From the reaction kinetics, limits for the heats of formation of SeF$_4$, SeF$_5$, TeF$_4$ and TeF$_5$ at 298 K have been obtained; $\Delta_f$H$^o$(SeF$_4$) < -369 kJ mol$^{-1}$, $\Delta_f$H$^o$(SeF$_5$) < -621 kJ mol$^{-1}$, $\Delta_f$H$^o$(TeF$_4$) > -570 kJ mol$^{-1}$, and $\Delta_f$H$^o$(TeF$_5$) < -822 kJ mol$^{-1}$

A class of quadratic deformations of Lie superalgebras

We study certain Z_2-graded, finite-dimensional polynomial algebras of degree 2 which are a special class of deformations of Lie superalgebras, which we call quadratic Lie superalgebras. Starting from the formal definition, we discuss the generalised Jacobi relations in the context of the Koszul property, and give a proof of the PBW basis theorem. We give several concrete examples of quadratic Lie superalgebras for low dimensional cases, and discuss aspects of their structure constants for the `type I' class. We derive the equivalent of the Kac module construction for typical and atypical modules, and a related direct construction of irreducible modules due to Gould. We investigate in detail one specific case, the quadratic generalisation gl_2(n/1) of the Lie superalgebra sl(n/1). We formulate the general atypicality conditions at level 1, and present an analysis of zero-and one-step atypical modules for a certain family of Kac modules.Comment: 26pp, LaTeX. Original title: "Finite dimensional quadratic Lie superalgebras"; abstract re-worded; text clarified; 3 references added; rearrangement of minor appendices into text; new subsection 4.

Covariant spinor representation of iosp(d,2/2)iosp(d,2/2) and quantization of the spinning relativistic particle

A covariant spinor representation of $iosp(d,2/2)$ is constructed for the quantization of the spinning relativistic particle. It is found that, with appropriately defined wavefunctions, this representation can be identified with the state space arising from the canonical extended BFV-BRST quantization of the spinning particle with admissible gauge fixing conditions after a contraction procedure. For this model, the cohomological determination of physical states can thus be obtained purely from the representation theory of the $iosp(d,2/2)$ algebra.Comment: Updated version with references included and covariant form of equation 1. 23 pages, no figure

Tensor Rank, Invariants, Inequalities, and Applications

Though algebraic geometry over $\mathbb C$ is often used to describe the closure of the tensors of a given size and complex rank, this variety includes tensors of both smaller and larger rank. Here we focus on the $n\times n\times n$ tensors of rank $n$ over $\mathbb C$, which has as a dense subset the orbit of a single tensor under a natural group action. We construct polynomial invariants under this group action whose non-vanishing distinguishes this orbit from points only in its closure. Together with an explicit subset of the defining polynomials of the variety, this gives a semialgebraic description of the tensors of rank $n$ and multilinear rank $(n,n,n)$. The polynomials we construct coincide with Cayley's hyperdeterminant in the case $n=2$, and thus generalize it. Though our construction is direct and explicit, we also recast our functions in the language of representation theory for additional insights. We give three applications in different directions: First, we develop basic topological understanding of how the real tensors of complex rank $n$ and multilinear rank $(n,n,n)$ form a collection of path-connected subsets, one of which contains tensors of real rank $n$. Second, we use the invariants to develop a semialgebraic description of the set of probability distributions that can arise from a simple stochastic model with a hidden variable, a model that is important in phylogenetics and other fields. Third, we construct simple examples of tensors of rank $2n-1$ which lie in the closure of those of rank $n$.Comment: 31 pages, 1 figur

Contrast sensitivity in images of natural scenes

The contrast sensitivity function (CSF) characterizes spatial detection in the human visual system and is typically measured from simple, synthetic stimuli. We used spatial frequency decomposition, RMS contrast modulation, a yes/no paradigm and an adaptive staircase to measure isolated and contextual CSFs (iCSFs and cCSFs) from natural images. We employed Barten’s mechanistic model and adapted it for contextual modeling purposes by postulating that, signal detection in a given frequency band, when presented amongst other broadband signals, can be modeled as if amongst noise. We found that the iCSF varies with pictorial content, but that the standard CSF model and the image’s contrast spectrums are sufficient to predict with relative success the cCSF for any given image. We finally discuss the suitability of cCSF models in image quality modeling

The Lockman Hole Project: new constraints on the sub-mJy source counts from a wide-area 1.4 GHz mosaic

This paper is part of a series discussing the results obtained in the framework of a wide international collaboration - the Lockman Hole Project - aimed at improving the extensive multiband coverage available in the Lockman Hole region, through novel deep, wide-area, multifrequency (60, 150, 350 MHz, and 1.4 GHz) radio surveys. This multifrequency, multi-band information will be exploited to get a comprehensive view of star formation and active galactic nucleus activities in the high-redshift Universe from a radio perspective. In this paper, we present novel 1.4 GHz mosaic observations obtained with the Westerbork Synthesis Radio Telescope. With an area coverage of 6.6 deg2, this is the largest survey reaching an rms noise of 11 uJy/beam. In this paper, we present the source catalogue (~6000 sources with flux densities S>55 uJy (5sigma), and we discuss the 1.4 GHz source counts derived from it. Our source counts provide very robust statistics in the flux range 0.1<S<1 mJy, and are in excellent agreement with other robust determinations obtained at lower and higher flux densities. A clear excess is found with respect to the counts predicted by the semi-empirical radio sky simulations developed in the framework of the Square Kilometre Array Simulated Skies project. A preliminary analysis of the identified (and classified) sources suggests this excess is to be ascribed to star-forming galaxies, which seem to show a steeper evolution than predicted.Comment: accepted for publication on MNRAS. New version that corrects latex errors and contain the correct version of figure 1

Ecological indicators for abandoned mines, Phase 1: Review of the literature

Mine waters have been identified as a significant issue in the majority of Environment Agency draft River Basin Management Plans. They are one of the largest drivers for chemical pollution in the draft Impact Assessment for the Water Framework Directive (WFD), with significant failures of environmental quality standards (EQS) for metals (particularly Cd, Pb, Zn, Cu, Fe) in many rivers linked to abandoned mines. Existing EQS may be overprotective of aquatic life which may have adapted over centuries of exposure. This study forms part of a larger project to investigate the ecological impact of metals in rivers, to develop water quality targets (alternative objectives for the WFD) for aquatic ecosystems impacted by long-term mining pollution. The report reviews literature on EQS failures, metal effects on aquatic biota and effects of water chemistry, and uses this information to consider further work. A preliminary assessment of water quality and biology data for 87 sites across Gwynedd and Ceredigion (Wales) shows that existing Environment Agency water quality and biology data could be used to establish statistical relations between chemical variables and metrics of ecological quality. Visual representation and preliminary statistical analyses show that invertebrate diversity declines with increasing zinc concentration. However, the situation is more complex because the effects of other metals are not readily apparent. Furthermore, pH and aluminium also affect streamwater invertebrates, making it difficult to tease out toxicity due to individual mine-derived metals. The most characteristic feature of the plant communities of metal-impacted systems is a reduction in diversity, compared to that found in comparable unimpacted streams. Some species thrive in the presence of heavy metals, presumably because they are able to develop metal tolerance, whilst others consistently disappear. Effects are, however, confounded by water chemistry, particularly pH. Tolerant species are spread across a number of divisions of photosynthetic organisms, though green algae, diatoms and blue-green algae are usually most abundant, often thriving in the absence of competition and/or grazing. Current UK monitoring techniques focus on community composition and, whilst these provide a sampling and analytical framework for studies of metal impacts, the metrics are not sensitive to these impacts. There is scope for developing new metrics, based on community-level analyses and for looking at morphological variations common in some taxa at elevated metal concentrations. On the whole, community-based metrics are recommended, as these are easier to relate to ecological status definitions. With respect to invertebrates and fish, metals affect individuals, population and communities but sensitivity varies among species, life stages, sexes, trophic groups and with body condition. Acclimation or adaptation may cause varying sensitivity even within species. Ecosystem-scale effects, for example on ecological function, are poorly understood. Effects vary between metals such as cadmium, copper, lead, chromium, zinc and nickel in order of decreasing toxicity. Aluminium is important in acidified headwaters. Biological effects depend on speciation, toxicity, availability, mixtures, complexation and exposure conditions, for example discharge (flow). Current water quality monitoring is unlikely to detect short-term episodic increases in metal concentrations or evaluate the bioavailability of elevated metal concentrations in sediments. These factors create uncertainty in detecting ecological impairment in metal-impacted ecosystems. Moreover, most widely used biological indicators for UK freshwaters were developed for other pressures and none distinguishes metal impacts from other causes of impairment. Key ecological needs for better regulation and management of metals in rivers include: i) models relating metal data to ecological data that better represent influences on metal toxicity; ii) biodiagnostic indices to reflect metal effects; iii) better methods to identify metal acclimation or adaptation among sensitive taxa; iv) better investigative procedures to isolate metal effects from other pressures. Laboratory data on the effects of water chemistry on cationic metal toxicity and bioaccumulation show that a number of chemical parameters, particularly pH, dissolved organic carbon (DOC) and major cations (Na, Mg, K, Ca) exert a major influence on the toxicity and/or bioaccumulation of cationic metals. The biotic ligand model (BLM) provides a conceptual framework for understanding these water chemistry effects as a combination of the influence of chemical speciation, and metal uptake by organisms in competition with H+ and other cations. In some cases where the BLM cannot describe effects, empirical bioavailable models have been successfully used. Laboratory data on the effects of metal mixtures across different water chemistries are sparse, with implications for transferring understanding to mining-impacted sites in the field where mixture effects are likely. The available field data, although relatively sparse, indicate that water chemistry influences metal effects on aquatic ecosystems. This occurs through complexation reactions, notably involving dissolved organic matter and metals such as Al, Cu and Pb. Secondly, because bioaccumulation and toxicity are partly governed by complexation reactions, competition effects among metals, and between metals and H+, give rise to dependences upon water chemistry. There is evidence that combinations of metals are active in the field; the main study conducted so far demonstrated the combined effects of Al and Zn, and suggested, less certainly, that Cu and H+ can also contribute. Chemical speciation is essential to interpret and predict observed effects in the field. Speciation results need to be combined with a model that relates free ion concentrations to toxic effect. Understanding the toxic effects of heavy metals derived from abandoned mines requires the simultaneous consideration of the acidity-related components Al and H+. There are a number of reasons why organisms in waters affected by abandoned mines may experience different levels of metal toxicity than in the laboratory. This could lead to discrepancies between actual field behaviour and that predicted by EQS derived from laboratory experiments, as would be applied within the WFD. The main factors to consider are adaptation/acclimation, water chemistry, and the effects of combinations of metals. Secondary effects are metals in food, metals supplied by sediments, and variability in stream flows. Two of the most prominent factors, namely adaptation/ acclimation and bioavailability, could justify changes in EQS or the adoption of an alternative measure of toxic effects in the field. Given that abandoned mines are widespread in England and Wales, and the high cost of their remediation to meet proposed WFD EQS criteria, further research into the question is clearly justified. Although ecological communities of mine-affected streamwaters might be over-protected by proposed WFD EQS, there are some conditions under which metals emanating from abandoned mines definitely exert toxic effects on biota. The main issue is therefore the reliable identification of chemical conditions that are unacceptable and comparison of those conditions with those predicted by WFD EQS. If significant differences can convincingly be demonstrated, the argument could be made for alternative standards for waters affected by abandoned mines. Therefore in our view, the immediate research priority is to improve the quantification of metal effects under field circumstances. Demonstration of dose-response relationships, based on metal mixtures and their chemical speciation, and the use of better biological tools to detect and diagnose community-level impairment, would provide the necessary scientific information

Understanding communication patterns in HPCG

Conjugate Gradient (CG) algorithms form a large part of many HPC applications, examples include bioinformatics and weather applications. These algorithms allow numerical solutions to complex linear systems. Understanding how distributed implementations of these algorithms use a network interconnect will allow system designers to gain a deeper insight into their exacting requirements for existing and future applications. This short paper documents our initial investigation into the communication patterns present in the High Performance Conjugate Gradient (HPCG) benchmark. Through our analysis, we identify patterns and features which may warrant further investigation to improve the performance of CG algorithms and applications which make extensive use of them. In this paper, we capture communication traces from runs of the HPCG benchmark at a variety of different processor counts and then examine this data to identify potential performance bottlenecks. Initial results show that there is a fall in the throughput of the network when more processes are communicating with each other, due to network contention

Impact of renewable energy in the future smart power system

Current power systems create environmental impacts due to utilization of fossil fuels, especially coal, as carbon dioxide is emitted into the atmosphere. In contrast to fossil fuels, renewable energy offers alternative sources of energy which are in general pollution free, technologically effective and environmentally sustainable. There is an increased interest in renewable energy, particularly solar and wind energy, which provides electricity without giving rise to carbon dioxide emissions. This paper presents a feasibility study undertaken to investigate the availability and usefulness of renewable energy sources in Central Queensland of Australia. The half hourly mean global solar irradiance and three hourly mean wind speed has been collected from Rockhampton Aero Weather Station, Queensland, Australia to further investigate the impact of renewable energy sources in existing and future smart power system. HOMER (Hybrid Optimization Model for Electric Renewable), computer model developed by NREL (National Renewable Energy Laboratory) has been used to performs comparative analysis of solar and wind energy with diesel and hybrid systems. Initially total net present cost (NPC) and the renewable fraction (RF) have been measured as performances metrics to compare the performances of different systems. Finally for better optimization, the model has been refined with sensitivity analysis which explores performance variations due to wind speed, solar irradiation and diesel fuel prices. (RESULT) From the simulation, it is shown that there are a number of factors that impact the performances of renewable energy sources to the power systems

Polynomial super-gl(n) algebras

We introduce a class of finite dimensional nonlinear superalgebras $L = L_{\bar{0}} + L_{\bar{1}}$ providing gradings of $L_{\bar{0}} = gl(n) \simeq sl(n) + gl(1)$. Odd generators close by anticommutation on polynomials (of degree $>1$) in the $gl(n)$ generators. Specifically, we investigate `type I' super-$gl(n)$ algebras, having odd generators transforming in a single irreducible representation of $gl(n)$ together with its contragredient. Admissible structure constants are discussed in terms of available $gl(n)$ couplings, and various special cases and candidate superalgebras are identified and exemplified via concrete oscillator constructions. For the case of the $n$-dimensional defining representation, with odd generators $Q_{a}, \bar{Q}{}^{b}$, and even generators ${E^{a}}_{b}$, $a,b = 1,...,n$, a three parameter family of quadratic super-$gl(n)$ algebras (deformations of $sl(n/1)$) is defined. In general, additional covariant Serre-type conditions are imposed, in order that the Jacobi identities be fulfilled. For these quadratic super-$gl(n)$ algebras, the construction of Kac modules, and conditions for atypicality, are briefly considered. Applications in quantum field theory, including Hamiltonian lattice QCD and space-time supersymmetry, are discussed.Comment: 31 pages, LaTeX, including minor corrections to equation (3) and reference [60