System-size convergence of point defect properties: The case of the silicon vacancy

We present a comprehensive study of the vacancy in bulk silicon in all its charge states from 2+ to 2-, using a supercell approach within plane-wave density-functional theory, and systematically quantify the various contributions to the well-known finite size errors associated with calculating formation energies and stable charge state transition levels of isolated defects with periodic boundary conditions. Furthermore, we find that transition levels converge faster with respect to supercell size when only the Gamma-point is sampled in the Brillouin zone, as opposed to a dense k-point sampling. This arises from the fact that defect level at the Gamma-point quickly converges to a fixed value which correctly describes the bonding at the defect centre. Our calculated transition levels with 1000-atom supercells and Gamma-point only sampling are in good agreement with available experimental results. We also demonstrate two simple and accurate approaches for calculating the valence band offsets that are required for computing formation energies of charged defects, one based on a potential averaging scheme and the other using maximally-localized Wannier functions (MLWFs). Finally, we show that MLWFs provide a clear description of the nature of the electronic bonding at the defect centre that verifies the canonical Watkins model.Comment: 10 pages, 6 figure

The human superior colliculus: Neither necessary, nor sufficient for consciousness?

Non-invasive neuroimaging in humans permits direct investigation of the potential role for mesodiencephalic structures in consciousness. Activity in the superior colliculus can be correlated with the contents of consciousness, but it can be also identified for stimuli of which the subject is unaware; and consciousness of some types of visual stimuli may not require the superior colliculus

Compensation for Uneven Surfaces When Building Laser Deposited Structures

Direct Laser Deposition (DLD) is a blown-powder laser deposition process that can be used to quickly produce, modify or repair fully-dense metallic parts by a layered manufacturing method. However, uneven substrate surfaces often cause variation in the deposited layer which is magnified by succeeding layers. Research carried out at the University of Liverpool has resulted in a non-feedback layer height controlling process based on controlling the shape of the powder streams emitted from a four-port side feed nozzle. This method limits deposited layer height by causing a sharp reduction of catchment efficiency in the vertical plane at a fixed distance from the powder feed nozzle, and is therefore capable of depositing a consistent layer height in spite of power, powder flow or process velocity variation. This paper demonstrates how this method of layer height control can compensate for irregular substrate surfaces in the production of accurate DLD parts.Mechanical Engineerin

Effect of the spin-orbit interaction and the electron phonon coupling on the electronic state in a silicon vacancy

The electronic state around a single vacancy in silicon crystal is investigated by using the Green's function approach. The triply degenerate charge states are found to be widely extended and account for extremely large elastic softening at low temperature as observed in recent ultrasonic experiments. When we include the LS coupling $\lambda_{\rm Si}$ on each Si atom, the 6-fold spin-orbital degeneracy for the $V^{+}$ state with the valence +1 and spin 1/2 splits into $\Gamma_{7}$ doublet groundstates and $\Gamma_{8}$ quartet excited states with a reduced excited energy of $O(\lambda_{\rm Si}/10)$. We also consider the effect of couplings between electrons and Jahn-Teller phonons in the dangling bonds within the second order perturbation and find that the groundstate becomes $\Gamma_{8}$ quartet which is responsible for the magnetic-field suppression of the softening in B-doped silicon.Comment: 4 pages, 2 figure

World crude oil resources : evidence from estimating supply functions for 41 countries

Evidence to support or deny expectations of future scarcity or abundance of crude oil must show whether crude oil supply functions are shifting and, if so, in what direction. The authors estimate oil supply functions for 41 countries for which suitable data are available. Because of the poor quality of data, especially for reserves, the model specification is simple. Their model relates reserve additions to the imputed"in situ"price of discovered but undeveloped reserves and to the passage of time. The passage of time is a surrogate for measuring the net impact on supply conditions of the chance of finding oil, resource depletion, cost efficiency, and technology. Time's impact could be expansionary or contractionary. They test two main versions of the model, one a straightforward linear function, the other nonlinear, assuming decreasing returns. Both models yield similar results. In most cases the models fit the data reasonably closely, after adjustment for outliers. The complete model results show 26 countries with statistically significant shifts in supply functions -in almost equal parts expansionary and contractionary. The shift is often contractionary in countries with a long production history (including Burma, Trinidad and Tobago, and the United States). Some are OPEC countries, to which a model specification involving market price response does not properly apply. Tests on a small sample of countries for differences between earlier and later periods reveal limited evidence of an expansionary shift from 1980 onward. There is partial evidence that lower oil prices stimulate productivity. The authors suggest that a gloomy outlook for non-OPEC supply is unwarranted. Several countries are still in an expansionary phase. Others show no evidence of entering a period of decline. And countries in a contractionary phase will continue to add to reserves. Further research requires improving the database rather than employing more elaborate models.Labor Policies,Economic Theory&Research,Environmental Economics&Policies,Markets and Market Access,Health Economics&Finance,Economic Theory&Research,Environmental Economics&Policies,Access to Markets,Markets and Market Access,Oil Refining&Gas Industry

The Alternating Surface Segmented Lap Joint: a Design for Thin Highly Loaded Joints

The combination of thin airfoil sections and high aerodynamic loads on many wind tunnel models presents a major problem for attachment of flap elements. Conventional methods of attaching fixed control elements such as lap and tongue-in-groove joints are not rigid enough to provide surface continuity required in high Reynolds number research. For the extreme cases, the solution has been to fabricate separate wings for each flap setting with the flap element being and integral part of the wing. Here an attractive solution to this problem, the alternating surface segmented lap joint, is discussed. This joint provides increased rigidity and lower stress levels than conventional joints. Additionally, attachment fastener loading is low and the joint can be designed to accommodate high shear levels due to bending without the use of dowel pins

Investigation of Low-temperature Solders for Cryogenic Wind Tunnel Models

The advent of high Reynolds number cryogenic wind tunnels has forced alteration of manufacturing and assembly techniques and eliminated usage of many materials associated with conventional wind tunnel models. One of the techniques affected is soldering. Solder alloys commonly used for wind tunnel models are susceptible to low-temperature embrittlement and phase transformation. The low-temperature performance of several solder alloys is being examined during research and development activities being conducted in support of design and fabrication of cryogenic wind tunnel models. Among the properties examined during these tests are shear strength, surface quality, joint stability, and durability when subjected to dynamic loading. Results of these tests and experiences with recent models are summarized

Potential for Solar Energy in Food Manufacturing, Distribution and Retail

The overall aim of the study was to assess the potential for increasing the use of solar energy in the food sector. For comparative purposes the study also included an assessment of the benefits that could arise from the use of other renewable energy sources, and the potential for more effective use of energy in food retail and distribution. Specific objectives were to: i) establish the current state of the art in relevant available solar technology; ii) identify the barriers for the adoption of solar technology; iii) assess the potential for solar energy capture; iv) appraise the potential of alternative relevant technologies for providing renewable energy; v) assess the benefits from energy saving technologies; vi) compare the alternative strategies for the next 5-10 years and vii) Consider the merits of specific research programmes on solar energy and energy conservation in the food sector. To obtain the views of the main stakeholders in the relevant food and energy sectors on the opportunities and barriers to the adoption of solar energy and other renewable energy technologies by the food industry, personal interviews and structured questionnaires tailored to the main stakeholders (supermarkets, consultants for supermarket design; energy and equipment suppliers) were used. The main findings from the questionnaires and interviews are: - Key personnel in supermarkets and engineers involved in the design of supermarkets are aware of the potential contribution of renewable energy technologies and other energy conservation measures to energy conservation and environmental impact reduction in the food industry. A number of supermarket chains have implemented such technologies at pilot scale to gain operating experience, and more importantly, for marketing reasons, to gain competitive advantage through a green image. - From installations to date in the UK the most notable are a 600 kW wind turbine at a Sainsbury's distribution centre in East Kilbride and a 60 kWp photovoltaic array at a Tesco store in Swansea. - The main barrier to the application of renewable energy technologies in the food sector is the capital cost. Even though significant progress has been made towards the improvement of the energy conversion efficiencies of photovoltaic technologies (PVs) and reduction in their cost, payback periods are still far too long, for them to become attractive to the food industry. - Wind energy can be more attractive than PVs in areas of high wind speed. Apart from relatively high cost, the main barrier to the wide application of wind turbines for local power generation is planning restrictions. This technology is more attractive for application in food distribution centres that are normally located outside build-up areas where planning restrictions can be less severe than in urban areas. In these applications it is likely that preference will be for large wind turbines of more than 1.0 MW power generation capacity as the cost of generation per unit power reduces with the size of the turbine

Comment on Bramwell et al, "Universal Fluctuations in Correlated Systems"

This is a comment on "Universal Fluctuations in Correlated Systems", by Bramwell et al, Phys. Rev. Lett., 84, 3744 (2000.Comment: To appear in Phys. Rev. Let