Tight-binding parameters from the full-potential linear muffin-tin orbital method: A feasibility study on NiAl

We have examined a method of direct extraction of accurate tight-binding parameters from an ab-initio band-structure calculation. The linear muffin-tin potential method, in its full-potential implementation, has been used to provide the hamiltonian and overlap matrix elements in the momentum space. These matrix elements are Fourier transformed to real space to produce the tight-binding parameters. The feasibility of this method has been tested on the intermetallic alloy NiAl, using spd orbitals for each atom. The parameters generated for this alloy have been used as input to a real-space calculation of the local density of states using the recursion method.Comment: 12 pages, RevTex, 5 figure

SiC nanocrystals as Pt catalyst supports for fuel cell applications

A robust catalyst support is pivotal to Proton Exchange Membrane Fuel Cells (PEMFCs) to overcome challenges such as catalyst support corrosion, low catalyst utilization and overall capital cost. SiC is a promising candidate material which could be applied as a catalyst support in PEMFCs. SiC nanocrystals are here synthesized using nano-porous carbon black (Vulcan ® XC-72) as a template using two different reactions, which result in particle sizes in the ranges of 50-150 nm (SiC-SPR) and 25-35 nm (SiC-NS). Pt nano-catalysts of size 5-8 nm and 4-5 nm have successfully been uniformly deposited on the nanocrystals of SiC-SPR and SiC-NS by the polyol method. The SiC substrates are subjected to an acid treatment to introduce the surface groups, which help to anchor the Pt nano-catalysts. These SiC based catalysts have been found to have a higher electrochemical activity than commercially available Vulcan based catalysts (BASF &amp; HISPEC). These promising results signal a new era of SiC based catalysts for fuel cell applications.</p

Oxygen reduction and methanol oxidation behaviour of SiC based Pt nanocatalysts for proton exchange membrane fuel cells

Research with proton exchange membrane fuel cells has demonstrated their potential as important providers of clean energy. The commercialization of this type of fuel cell needs a breakthrough in the electrocatalyst technology to reduce the relatively large amount of noble metal platinum used with the present carbon based substrates. We have recently examined suitably sized silicon carbide (SiC) particles as catalyst supports for fuel cells based on the stable chemical and mechanical properties of this material. In the present study, we have continued our work with studies of the oxygen reduction and methanol oxidation reactions of SiC supported catalysts and measured them against commercially available carbon based catalysts. The deconvolution of the hydrogen desorption signals in CV cycles shows a higher contribution of Pt (110) and Pt (111) peaks compared to Pt (100) for SiC based supports than for carbon based commercial catalysts, when HClO 4 is used as an electrolyte. The Pt (110) and Pt (111) facets are shown to have higher electrochemical activities than Pt (100) facets. To the best of our knowledge, methanol oxidation studies and the comparison of peak deconvolutions of the H desorption region in CV cyclic studies are reported here for the first time for SiC based catalysts. The reaction kinetics for the oxygen reduction and for methanol oxidation with Pt/SiC are observed to be similar to the carbon based catalysts. The SiC based catalyst shows a higher specific surface activity than BASF (Pt/C) for methanol oxidation and oxygen reduction while the mass activity values are comparable.</p

Subdiffractional focusing and guiding of polaritonic rays in a natural hyperbolic material

Uniaxial materials whose axial and tangential permittivities have opposite signs are referred to as indefinite or hyperbolic media. In such materials light propagation is unusual, leading to novel and often non-intuitive optical phenomena. Here we report infrared nano-imaging experiments demonstrating that crystals of hexagonal boron nitride (hBN), a natural mid-infrared hyperbolic material, can act as a "hyper-focusing lens" and as a multi-mode waveguide. The lensing is manifested by subdiffractional focusing of phonon-polaritons launched by metallic disks underneath the hBN crystal. The waveguiding is revealed through the modal analysis of the periodic patterns observed around such launchers and near the sample edges. Our work opens new opportunities for anisotropic layered insulators in infrared nanophotonics complementing and potentially surpassing concurrent artificial hyperbolic materials with lower losses and higher optical localization.Comment: 25 pages, 5 figure

Changes in chlamydia control activities in Europe between 2007 and 2012: a cross-national survey

BACKGROUND: In 2012, the levels of chlamydia control activities including primary prevention, effective case management with partner management and surveillance were assessed in 2012 across countries in the European Union and European Economic Area (EU/EEA), on initiative of the European Centre for Disease Control (ECDC) survey, and the findings were compared with those from a similar survey in 2007. METHODS: Experts in the 30 EU/EEA countries were invited to respond to an online questionnaire; 28 countries responded, of which 25 participated in both the 2007 and 2012 surveys. Analyses focused on 13 indicators of chlamydia prevention and control activities; countries were assigned to one of five categories of chlamydia control. RESULTS: In 2012, more countries than in 2007 reported availability of national chlamydia case management guidelines (80% vs. 68%), opportunistic chlamydia testing (68% vs. 44%) and consistent use of nucleic acid amplification tests (64% vs. 36%). The number of countries reporting having a national sexually transmitted infection control strategy or a surveillance system for chlamydia did not change notably. In 2012, most countries (18/25, 72%) had implemented primary prevention activities and case management guidelines addressing partner management, compared with 44% (11/25) of countries in 2007. CONCLUSION: Overall, chlamydia control activities in EU/EEA countries strengthened between 2007 and 2012. Several countries still need to develop essential chlamydia control activities, whereas others may strengthen implementation and monitoring of existing activities

Weyl invariant polynomial and deformation quantization on Kahler manifolds

Given a polynomial P of partial derivatives of the Kahler metric, expressed as a linear combination of directed multigraphs, we prove a simple criterion in terms of the coefficients for $P$ to be an invariant polynomial, i.e. invariant under the transformation of coordinates. As applications, we prove an explicit composition formula for covariant differential operators under a canonical basis, also known as invariant differential operators in the case of bounded symmetric domains. We also prove a general explicit formula of star products on Kahler manifolds.Comment: 17 page

Estudio agroeconomico del proceso de produccion de frijol (Phaseolus vulgaris) en Colombia

A methodology is presented on how to study bean production processes and its on-farm application in Colombia. The main objectives are to identify the factors limiting production and productivity, availability and use of resources, credit, technical assistance, markets, pest and weed distribution and intensity, production costs, and crop profit. The study consists of various stages: definition of the problem, antecedents, interviews with technicians and administrators, bibliographic review, definition of objectives and variables, questionnaires, pilot and final surveys, selection of areas (Antioquia, Huila, Narino, and Valle del Cauca), municipalities, and producers (177 farms with an av. of 25 ha). The av. area of bean crops is 6 ha with great differences among states; more than 60 percent of the cultivation is shared with other crops such as maize, coffee, plantain, soybeans, cassava, aracacha, peas and potatoes. Except farmers of the Valle, and to a lesser extent, those that only cultivate beans in Huila, the great majority of cultivators did not have adequate mechanical equipment for preparation, planting, harvesting, and irrigation. Seventy percentage are landowners, 10 percent tenants, and 17 percent sharecroppers. It is considered that beans need less irrigation, should be harvested quickly, and that it is the crop that produces the greatest profit; however, it is considered to be the crop representing the highest risk. Planting systems are described: on flat rows; multiple cropping on ridges; multiple cropping without rows; multiple cropping in the same flat row; multiple cropping in different rows, and mixed multiple cropping. Only 12 percent of the cultivators use improved seed and during the study, 86, 48 and 34 percent planted red, black, and both types of beans, resp. Data are presented on the intensity of land use; principle pests, diseases, and weeds are evaluated. Information on costs, storage, and marketing are also included. (CIAT

Interaction of multi-walled carbon nanotubes with perfluorinated sulfonic acid ionomers and surface treatment studies

The interaction between high surface area nano-carbon catalyst supports for proton exchange membrane fuel cells (PEMFCs) and perfluorinated sulfonic acid (Nafion®) ionomer was studied 19 fluorine nuclear magnetic resonance spectroscopy (19F-NMR). The method was developed and improved for more efficient, user-friendly and systematic studies based on our earlier experience. In this work, multi-walled carbon nanotubes (MWCNTs) from Showa Denko® and the corresponding acid modified products were explored. The adsorption at low concentration was found to follow a Langmuir isotherm. Adsorption equilibrium constant (Keq.) and maximum surface coverage (Γmax) were determined based on the model. In general, the ionomer showed stronger adsorption for MWCNTs (Keq. = 21 − 377 depending on treatment) comparing to Vulcan (Keq. = 18), and slightly lower monolayer coverage. The interaction was found to be strongly affected by surface composition, morphology, porosity and oxygen containing functional groups, which are varied with purification and functionalization treatments. The modification of the surface properties was also studied with HR-TEM, BET, porosity measurement, EDXS, XPS, Raman and TG. The results will contribute to optimize electrode preparation with novel nano-carbon catalyst supports and durable catalyst for low temperature (LT) PEMFCs