Determining the quality of mathematical software using reference data sets

This paper describes a methodology for evaluating the numerical accuracy of software that performs mathematical calculations. The authors explain how this methodology extends the concept of metrological traceability, which is fundamental to measurement, to include software quality. Overviews of two European Union-funded projects are also presented. The first project developed an infrastructure to allow software to be verified by testing, via the internet, using reference data sets. The primary focus of the project was software used within systems that make physical measurements. The second project, currently underway, explores using this infrastructure to verify mathematical software used within general scientific and engineering disciplines. Publications on using reference data sets for the verification of mathematical software are usually intended for a readership specialising in measurement science or mathematics. This paper is aimed at a more general readership, in particular software quality specialists and computer scientists. Further engagement with experts in these disciplines will be helpful to the continued development of this application of software quality

The characteristics of electronic training collars for dogs

A wide range of electronic dog training collars (e-collars) is available in the UK, yet there is no means by which purchasers can meaningfully compare their electrical characteristics at the point of sale. In this research the electrical characteristics of 13 models of e-collar were examined and an approach to ranking the strength of the electrical stimuli was developed. The electrical impedance of dogs’ necks was measured so that e-collars could be tested under realistic conditions. This impedance was found to be about 10kΩ for wet dogs and 640kΩ for dry dogs. Two copies of each of eight e-collar models and one copy of a further five models were tested. The stimuli generated by these collars comprised sequences of short high voltage pulses. There were large differences between e-collar models in the peak voltage, number of pulses and duration of the pulses but little variation between the duplicates. The peak voltage varied with the impedance of the dog, from 6000V at an impedance of 500kΩ to 100V at 5kΩ. The highest voltages were generated for only a few millionths of a second. A stimulus strength ranking index (SSRI) was developed based on the subjective response of human subjects to electrical stimuli. This index is used to compare the strength of e-collars with diverse electrical characteristics. It shows a wide range in the stimulus strengths of collars and that the relationships between ‘momentary’ and ‘continuous’ stimuli for various models differ significantly

Transformation Based Ensembles for Time Series Classification

Until recently, the vast majority of data mining time series classification (TSC) research has focused on alternative distance measures for 1-Nearest Neighbour (1-NN) classifiers based on either the raw data, or on compressions or smoothing of the raw data. Despite the extensive evidence in favour of 1-NN classifiers with Euclidean or Dynamic Time Warping distance, there has also been a flurry of recent research publications proposing classification algorithms for TSC. Generally, these classifiers describe different ways of incorporating summary measures in the time domain into more complex classifiers. Our hypothesis is that the easiest way to gain improvement on TSC problems is simply to transform into an alternative data space where the discriminatory features are more easily detected. To test our hypothesis, we perform a range of benchmarking experiments in the time domain, before evaluating nearest neighbour classifiers on data transformed into the power spectrum, the autocorrelation function, and the principal component space. We demonstrate that on some problems there is dramatic improvement in the accuracy of classifiers built on the transformed data over classifiers built in the time domain, but that there is also a wide variance in accuracy for a particular classifier built on different data transforms. To overcome this variability, we propose a simple transformation based ensemble, then demonstrate that it improves performance and reduces the variability of classifiers built in the time domain only. Our advice to a practitioner with a real world TSC problem is to try transforms before developing a complex classifier; it is the easiest way to get a potentially large increase in accuracy, and may provide further insights into the underlying relationships that characterise the problem

Continuum Theory for Piezoelectricity in Nanotubes and Nanowires

We develop and solve a continuum theory for the piezoelectric response of one dimensional nanotubes and nanowires, and apply the theory to study electromechanical effects in BN nanotubes. We find that the polarization of a nanotube depends on its aspect ratio, and a dimensionless constant specifying the ratio of the strengths of the elastic and electrostatic interactions. The solutions of the model as these two parameters are varied are discussed. The theory is applied to estimate the electric potential induced along the length of a BN nanotube in response to a uniaxial stress.Comment: 4 pages in RevTex4, 2 epsf figure

Modulation of Superconducting Properties by Ferroelectric Polarization in Confined FE-S-FE Films

We show that the electric polarization at the interface with ultrathin superconducting (S) films sandwiched between ferroelectric (FE) layers allows achievement of substantially stronger modulation of inner carrier density and superconducting transition temperature as compared to FE-S bilayers typically used in superconducting FETs. We find that not only the larger penetration depths but also the pairing symmetry should be responsible for the fact that the electric field effect in high temperature superconductors is much stronger than in conventional systems. Discussing the advantages of multilayers, we propose a novel design concept for superconducting electric field-effect transistors based on ferroelectric films.Comment: 5 pages RevTex4, 6 figure

Pressure-Induced Anomalous Phase Transitions and Colossal Enhancement of Piezoelectricity in PbTiO3_3

We find an unexpected tetragonal-to-monoclinic-to-rhombohedral-to-cubic phase transition sequence induced by pressure, and a morphotropic phase boundary in a pure compound using first-principles calculations. Huge dielectric and piezoelectric coupling constants occur in the transition regions, comparable to those observed in the new complex single-crystal solid-solution piezoelectrics such as Pb(Mg$_{1/3}$Nb$_{2/3}$)O$_{3}$-PbTiO$_{3}$, which are expected to revolutionize electromechanical applications. Our results show that morphotropic phase boundaries and giant piezoelectric effects do not require intrinsic disorder, and open the possibility of studying this effect in simple systems.Comment: 4 pages, to appear in Phys. Rev. Let

Molecular ferroelectric contributions to anomalous hysteresis in hybrid perovskite solar cells

We report a model describing the molecular orientation disorder in CH3NH3PbI3, solving a classical Hamiltonian parametrised with electronic structure calculations, with the nature of the motions informed by ab-initio molecular dynamics. We investigate the temperature and static electric field dependence of the equilibrium ferroelectric (molecular) domain structure and resulting polarisability. A rich domain structure of twinned molecular dipoles is observed, strongly varying as a function of temperature and applied electric field. We propose that the internal electrical fields associated with microscopic polarisation domains contribute to hysteretic anomalies in the current--voltage response of hybrid organic-inorganic perovskite solar cells due to variations in electron-hole recombination in the bulk.Comment: 10 pages; 4 figures, 2 SI figure

Microscopic origin of Magnetic Ferroelectrics in Nonlinear Multiferroics

A simple but general microscopic mechanism to understand the interplay between the electric and magnetic degrees of freedom is developed. Within this mechanism, the magnetic structure generates an electric current which induce an counterbalance electric current from the spin orbital coupling. When the magnetic structure is described by a single order parameter, the electric polarization is determined by the single spin orbital coupling parameter, and the material is predicted to be a half insulator. This mechanism provides a simple estimation of the value of ferroelectricity and sets a physical limitation as well.Comment: 4 pages, 1 figur

First-principles study of epitaxial strain in perovskites

Using an extension of a first-principles method developed by King-Smith and Vanderbilt [Phys. Rev. B {\bf 49}, 5828 (1994)], we investigate the effects of in-plane epitaxial strain on the ground-state structure and polarization of eight perovskite oxides: BaTiO$_3$, SrTiO$_3$, CaTiO$_3$, KNbO$_3$, NaNbO$_3$, PbTiO$_3$, PbZrO$_3$, and BaZrO$_3$. In addition, we investigate the effects of a nonzero normal stress. The results are shown to be useful in predicting the structure and polarization of perovskite oxide thin films and superlattices.Comment: 10 page