Algebraic grid generation using tensor product B-splines

Finite difference methods are more successful if the accompanying grid has lines which are smooth and nearly orthogonal. The development of an algorithm which produces such a grid when given the boundary description. Topological considerations in structuring the grid generation mapping are discussed. The concept of the degree of a mapping and how it can be used to determine what requirements are necessary if a mapping is to produce a suitable grid is examined. The grid generation algorithm uses a mapping composed of bicubic B-splines. Boundary coefficients are chosen so that the splines produce Schoenberg's variation diminishing spline approximation to the boundary. Interior coefficients are initially chosen to give a variation diminishing approximation to the transfinite bilinear interpolant of the function mapping the boundary of the unit square onto the boundary grid. The practicality of optimizing the grid by minimizing a functional involving the Jacobian of the grid generation mapping at each interior grid point and the dot product of vectors tangent to the grid lines is investigated. Grids generated by using the algorithm are presented

(In)Consistencies in responses to sodium bicarbonate supplementation: a randomised, repeated measures, counterbalanced and double-blind study

Objectives: Intervention studies do not account for high within-individual variation potentially compromising the magnitude of an effect. Repeat administration of a treatment allows quantification of individual responses and determination of the consistency of responses. We determined the consistency of metabolic and exercise responses following repeated administration of sodium bicarbonate (SB). Design and Methods: 15 physically active males (age 25 ± 4 y; body mass 76.0 ± 7.3 kg; height 1.77 ± 0.05 m) completed six cycling capacity tests at 110% of maximum power output (CCT 110% ) following ingestion of either 0.3 g.kg -1 BM of SB (4 trials) or placebo (PL, 2 trials). Blood pH, bicarbonate, base excess and lactate were determined at baseline, pre-exercise, post-exercise and 5-min post-exercise. Total work done (TWD) was recorded as the exercise outcome. Results: SB supplementation increased blood pH, bicarbonate and base excess prior to every trial (all p ≤0.001); absolute changes in pH, bicarbonate and base excess from baseline to pre-exercise were similar in all SB trials (all p > 0.05). Blood lactate was elevated following exercise in all trials (p ≤ 0.001), and was higher in some, but not all, SB trials compared to PL. TWD was not significantly improved with SB vs. PL in any trial (SB1: +3.6%; SB2 +0.3%; SB3: +2.1%; SB4: +6.7%; all p > 0.05), although magnitude-based inferences suggested a 93% likely improvement in SB4. Individual analysis showed ten participants improved in at least one SB trial above the normal variation of the test although five improved in none. Conclusions: The mechanism for improved exercise with SB was consistently in place prior to exercise, although this only resulted in a likely improvement in one trial. SB does not consistently improve high intensity cycling capacity, with results suggesting that caution should be taken when interpreting the results from single trials as to the efficacy of SB supplementation. Trial Registration: ClinicalTrials.gov NCT0247462

Negative oxygen vacancies in HfO2_2 as charge traps in high-k stacks

We calculated the optical excitation and thermal ionization energies of oxygen vacancies in m-HfO$_2$ using atomic basis sets, a non-local density functional and periodic supercell. The thermal ionization energies of negatively charged V$^-$ and V$^{2-}$ centres are consistent with values obtained by the electrical measurements. The results suggest that negative oxygen vacancies are the likely candidates for intrinsic electron traps in the hafnum-based gate stack devices.Comment: 3 pages, 2 figure

Electronic structure of the molecule based magnet Cu PM(NO3)2 (H2O)2

We present density functional calculations on the molecule based S=1/2 antiferromagnetic chain compound Cu PM(NO3)2 (H2O)2; PM = pyrimidine. The properties of the ferro- and antiferromagnetic state are investigated at the level of the local density approximation and with the hybrid functional B3LYP. Spin density maps illustrate the exchange path via the pyrimidine molecule which mediates the magnetism in the one-dimensional chain. The computed exchange coupling is antiferromagnetic and in reasonable agreement with the experiment. It is suggested that the antiferromagnetic coupling is due to the possibility of stronger delocalization of the charges on the nitrogen atoms, compared to the ferromagnetic case. In addition, computed isotropic and anisotropic hyperfine interaction parameters are compared with recent NMR experiments

Band structures of rare gas solids within the GW approximation

Band structures for solid rare gases (Ne, Ar) have been calculated using the GW approximation. All electron and pseudopotential ab initio calculations were performed using Gaussian orbital basis sets and the dependence of particle-hole gaps and electron affinities on basis set and treatment of core electrons is investigated. All electron GW calculations have a smaller particle-hole gap than pseudopotential GW calculations by up to 0.2 eV. Quasiparticle electron and hole excitation energies, valence band widths and electron affinities are generally in very good agreement with those derived from optical absorption and photoemission measurements.Comment: 7 pages 1 figur

Influence of a Corpus Luteum Tissue Extract on Rabbit Ovarian Mesothelial Cells

This study investigates rabbit ovarian mesothelial (OM) cells exposed in vitro to a crude corpus luteum extract (CLE; 60 μg/ml). The growth of OM cells was evaluated by measuring the change in cell number (mean % ± standard error of mean, SEM), the number of cell population doublings (CPD ± SEM), and the cell population doubling time in hours (CPDT ± SEM) after 7.5 days of culture in a serum-poor medium. Quantitative estimates of surface morphology changes were obtained by analyzing the total number (mean no. ± SEM), density (mean no./100 μ.m2 ± SEM), and length-to-diameter ratio (mean L/D ± SEM) of microvilli. OM cells in control medium formed loosely cohesive monolayers, and grew 152.53 ± 11.01% with a CPD of 0.59 ± 0.08 and a CPDT of 117.29 ± 6.43 hours. The exposed surface area of these cells was over 8,000 μ.m2 and was covered in its epinuclear region by long and slender microvilli with a L/D of 6.01 ± 0.29. The total number of microvilli in each control cell was 1977.52 ± 120.49 with a density of 0.58 ± 0.03/100 μ.m2 in the epinuclear region and of 0.05 ± 0.003/150 μ.m2 in the remaining surface area (5,161.62 ± 354.43 μ.m2). In contrast, CLE-rich cells cultures grew 329.57 ± 16.65%, with a CPD of 1.71 ± 0.07 and a CPDT of 53.43 + 2.93 hours. These cells formed confluent monolayers of smaller (2104.86 ± 103.71 μ.m2), tightly juxtaposed epithelioid cells with a microvillar density of 0.70 ± 0.03/100 μ.m2 in over 78% of their surface. These data support the existence of an intra-ovarian factor capable of enhancing growth and differentiation of OM cells

General Practitioners' and patients' perceptions towards stratified care: a theory informed investigation

Background Stratified primary care involves changing General Practitioners’ (GPs) clinical behaviour in treating patients, away from the current stepped care approach to instead identifying early treatment options that are matched to patients’ risk of persistent disabling pain. This article explores the perspectives of UK-based GPs and patients about a prognostic stratified care model being developed for patients with the five most common primary care musculoskeletal pain presentations. The focus was on views about acceptability, and anticipated barriers and facilitators to the use of stratified care in routine practice. Methods Four focus groups and six semi-structured telephone interviews were conducted with GPs (n = 23), and three focus groups with patients (n = 20). Data were analysed thematically; and identified themes examined in relation to the Theoretical Domains Framework (TDF), which facilitates comprehensive identification of behaviour change determinants. A critical approach was taken in using the TDF, examining the nuanced interrelationships between theoretical domains. Results Four key themes were identified: Acceptability of clinical decision-making guided by stratified care; impact on the therapeutic relationship; embedding a prognostic approach within a biomedical model; and practical issues in using stratified care. Whilst within each theme specific findings are reported, common across themes was the identified relationships between the theoretical domains of knowledge, skills, professional role and identity, environmental context and resources, and goals. Through analysis of these identified relationships it was found that, for GPs and patients to perceive stratified care as being acceptable, it must be seen to enhance GPs’ knowledge and skills, not undermine GPs’ and patients’ respective identities and be integrated within the environmental context of the consultation with minimal disruption. Conclusions Findings highlight the importance of taking into account the context of general practice when intervening to support GPs to make changes to their clinical behaviour. Findings will inform further stages of the research programme; specifically, the intervention format and content of support packages for GPs participating in a future randomised controlled trial (RCT). This study also contributes to the theoretical debate on how best to encourage clinical behaviour change in general practice, and the possible role of the TDF in that process

Where is the best site on Earth? Domes A, B, C and F, and Ridges A and B

The Antarctic plateau contains the best sites on earth for many forms of astronomy, but none of the existing bases was selected with astronomy as the primary motivation. In this article, we try to systematically compare the merits of potential observatory sites.We include South Pole, Domes A, C, and F, and also Ridge B (running northeast from Dome A), and what we call "Ridge A" (running southwest from Dome A). Our analysis combines satellite data, published results, and atmospheric models, to compare the boundary layer, weather, aurorae, airglow, precipitable water vapor, thermal sky emission, surface temperature, and the free atmosphere, at each site. We find that all Antarctic sites are likely to be compromised for optical work by airglow and aurorae. Of the sites with existing bases, Dome A is easily the best overall; but we find that Ridge A offers an even better site. We also find that Dome F is a remarkably good site. Dome C is less good as a thermal infrared or terahertz site, but would be able to take advantage of a predicted "OH hole" over Antarctica during spring.Comment: Revised version. 16 pages, 21 figures (22 in first version). Submitted to PASP 16/05/09, accepted 13/07/09; published 20/08/0