Focussing quantum states

Does the size of atoms present a lower limit to the size of electronic structures that can be fabricated in solids? This limit can be overcome by using devices that exploit quantum mechanical scattering of electron waves at atoms arranged in focussing geometries on selected surfaces. Calculations reveal that features smaller than a hydrogen atom can be obtained. These structures are potentially useful for device applications and offer a route to the fabrication of ultrafine and well defined tips for scanning tunneling microscopy.Comment: 4 pages, 4 figure

Following microscopic motion in a two dimensional glass-forming binary fluid

The dynamics of a binary mixture of large and small discs are studied at temperatures approaching the glass transition using an analysis based on the topology of the Voronoi polygon surrounding each atom. At higher temperatures we find that dynamics is dominated by fluid-like motion that involves particles entering and exiting the nearest-neighbour shells of nearby particles. As the temperature is lowered, the rate of topological moves decreases and motion becomes localised to regions of mixed pentagons and heptagons. In addition we find that in the low temperature state particles may translate significant distances without undergoing changes in their nearest neig hbour shell. These results have implications for dynamical heterogeneities in glass forming liquids.Comment: 12 pages, 7 figure

Simultaneous Optical Flow and Intensity Estimation from an Event Camera

Event cameras are bio-inspired vision sensors which mimic retinas to measure per-pixel intensity change rather than outputting an actual intensity image. This proposed paradigm shift away from traditional frame cameras offers significant potential advantages: namely avoiding high data rates, dynamic range limitations and motion blur. Unfortunately, however, established computer vision algorithms may not at all be applied directly to event cameras. Methods proposed so far to reconstruct images, estimate optical flow, track a camera and reconstruct a scene come with severe restrictions on the environment or on the motion of the camera, e.g. allowing only rotation. Here, we propose, to the best of our knowledge, the first algorithm to simultaneously recover the motion field and brightness image, while the camera undergoes a generic motion through any scene. Our approach employs minimisation of a cost function that contains the asynchronous event data as well as spatial and temporal regularisation within a sliding window time interval. Our implementation relies on GPU optimisation and runs in near real-time. In a series of examples, we demonstrate the successful operation of our framework, including in situations where conventional cameras suffer from dynamic range limitations and motion blur

Measurement of teicoplanin by liquid chromatography-tandem mass spectrometry:development of a novel method

Teicoplanin is an antibiotic used for the treatment of endocarditis, osteomyelitis, septic arthritis and methicillin-resistant Staphylococcus aureus. Teicoplanin is emerging as a suitable alternative antibiotic to vancomycin, where their trough serum levels are monitored by immunoassay routinely. This is the first report detailing the development of a liquid chromatography-tandem mass spectrometry (LC-MS/MS) method for measuring teicoplanin in patients' serum

Probability Models for Degree Distributions of Protein Interaction Networks

The degree distribution of many biological and technological networks has been described as a power-law distribution. While the degree distribution does not capture all aspects of a network, it has often been suggested that its functional form contains important clues as to underlying evolutionary processes that have shaped the network. Generally, the functional form for the degree distribution has been determined in an ad-hoc fashion, with clear power-law like behaviour often only extending over a limited range of connectivities. Here we apply formal model selection techniques to decide which probability distribution best describes the degree distributions of protein interaction networks. Contrary to previous studies this well defined approach suggests that the degree distribution of many molecular networks is often better described by distributions other than the popular power-law distribution. This, in turn, suggests that simple, if elegant, models may not necessarily help in the quantitative understanding of complex biological processes.

Matching parton showers to NLO computations

We give a prescription for attaching parton showers to next-to-leading order (NLO) partonic jet cross sections in electron-positron annihilation. Our method effectively extends to NLO the scheme of Catani, Krauss, Kuhn, and Webber for matching between m hard jets and (m+1) hard jets. The matching between parton splitting as part of a shower and parton splitting as part of NLO matrix elements is based on the Catani-Seymour dipole subtraction method that is commonly used for removing the singularities from the NLO matrix elements.}Comment: 45 pages, new introduction, more detailed discussion of the Sudakov reweightin

Glassy behaviour in a simple topological model

In this article we study a simple, purely topological, cellular model which is allowed to evolve through a Glauber-Kawasaki process. We find a non-thermodynamic transition to a glassy phase in which the energy (defined as the square of the local cell topological charge) fails to reach the equilibrium value below a characteristic temperature which is dependent on the cooling rate. We investigate a correlation function which exhibits aging behaviour, and follows a master curve in the stationary regime when time is rescaled by a factor of the relaxation time t_r. This master curve can be fitted by a von Schweidler law in the late beta-relaxation regime. The relaxation times can be well-fitted at all temperatures by an offset Arrhenius law. A power law can be fitted to an intermediate temperature regime; the exponent of the power law and the von Schweidler law roughly agree with the relationship predicted by Mode-coupling Theory. By defining a suitable response function, we find that the fluctuation-dissipation ratio is held until sometime later than the appearance of the plateaux; non-monotonicity of the response is observed after this ratio is broken, a feature which has been observed in other models with dynamics involving activated processes.Comment: 11 pages LaTeX; minor textual corrcetions, minor corrections to figs 4 & 7

Response of the Shockley surface state to an external electrical field: A density-functional theory study of Cu(111)

The response of the Cu(111) Shockley surface state to an external electrical field is characterized by combining a density-functional theory calculation for a slab geometry with an analysis of the Kohn-Sham wavefunctions. Our analysis is facilitated by a decoupling of the Kohn-Sham states via a rotation in Hilbert space. We find that the surface state displays isotropic dispersion, quadratic until the Fermi wave vector but with a significant quartic contribution beyond. We calculate the shift in energetic position and effective mass of the surface state for an electrical field perpendicular to the Cu(111) surface; the response is linear over a broad range of field strengths. We find that charge transfer occurs beyond the outermost copper atoms and that accumulation of electrons is responsible for a quarter of the screening of the electrical field. This allows us to provide well-converged determinations of the field-induced changes in the surface state for a moderate number of layers in the slab geometry.Comment: 11 pages, 6 figures, 4 tables; accepted for publication by Phys. Rev. B; changes from v1 in response to referee comments, esp. to Sections I and V.B (inc. Table 4), with many added references, but no change in results or conclusion

Towards More Accurate Molecular Dynamics Calculation of Thermal Conductivity. Case Study: GaN Bulk Crystals

Significant differences exist among literature for thermal conductivity of various systems computed using molecular dynamics simulation. In some cases, unphysical results, for example, negative thermal conductivity, have been found. Using GaN as an example case and the direct non-equilibrium method, extensive molecular dynamics simulations and Monte Carlo analysis of the results have been carried out to quantify the uncertainty level of the molecular dynamics methods and to identify the conditions that can yield sufficiently accurate calculations of thermal conductivity. We found that the errors of the calculations are mainly due to the statistical thermal fluctuations. Extrapolating results to the limit of an infinite-size system tend to magnify the errors and occasionally lead to unphysical results. The error in bulk estimates can be reduced by performing longer time averages using properly selected systems over a range of sample lengths. If the errors in the conductivity estimates associated with each of the sample lengths are kept below a certain threshold, the likelihood of obtaining unphysical bulk values becomes insignificant. Using a Monte-Carlo approach developed here, we have determined the probability distributions for the bulk thermal conductivities obtained using the direct method. We also have observed a nonlinear effect that can become a source of significant errors. For the extremely accurate results presented here, we predict a [0001] GaN thermal conductivity of 185 $\rm{W/K \cdot m}$ at 300 K, 102 $\rm{W/K \cdot m}$ at 500 K, and 74 $\rm{W/K \cdot m}$ at 800 K. Using the insights obtained in the work, we have achieved a corresponding error level (standard deviation) for the bulk (infinite sample length) GaN thermal conductivity of less than 10 $\rm{W/K \cdot m}$, 5 $\rm{W/K \cdot m}$, and 15 $\rm{W/K \cdot m}$ at 300 K, 500 K, and 800 K respectively

Calculations of the Local Density of States for some Simple Systems

A recently proposed convolution technique for the calculation of local density of states is described more thouroughly and new results of its application are presented. For separable systems the exposed method allows to construct the ldos for a higher dimensionality out of lower dimensional parts. Some practical and theoretical aspects of this approach are also discussed.Comment: 5 pages, 3 figure