Kohn-Sham Exchange Potential for a Metallic Surface

The behavior of the surface barrier that forms at the metal-vacuum interface is important for several fields of surface science. Within the Density Functional Theory framework, this surface barrier has two non-trivial components: exchange and correlation. Exact results are provided for the exchange component, for a jellium metal-vacuum interface, in a slab geometry. The Kohn-Sham exact-exchange potential $V_{x}(z)$ has been generated by using the Optimized Effective Potential method, through an accurate numerical solution, imposing the correct boundary condition. It has been proved analytically, and confirmed numerically, that $V_{x}(z\to \infty)\to - e^{2}/z$; this conclusion is not affected by the inclusion of correlation effects. Also, the exact-exchange potential develops a shoulder-like structure close to the interface, on the vacuum side. The issue of the classical image potential is discussed.Comment: Phys. Rev. Lett. (to appear

External calibration of SIR-B imagery with area-extended and point targets

Data-takes on two ascending orbits of the Shuttle Imaging Radar-B (SIR-B) over an agricultural test site in west-central Illinois were used to establish end-to-end transfer functions for conversion of the digital numbers on the 8-bit image to values of the radar backscattering coefficient sigma sup 0 (sq m/sq. m) in dB. The transfer function for each data-take was defined by the SIR-B response to an array of six calibrated point targets of known radar cross-section (transponders) and to a large number of area-extended targets also with known radar cross-section as measured by externally calibrated, truck-mounted scatterometers. The radar cross-section of each transponder at the SIR-B center frequency was measured on an antenna range as a function of local angle of incidence. Two truck-mounted scatterometers observed 20 to 80 agricultural fields daily at 1.6 GHz with HH polarization and at azimuth viewing angles and incidence angles equivalent to those of the SIR-B. The form of the transfer function is completely defined by the SIR-B receiver and the incoherent averaging procedure incorporated into production of the standard SIR-B image product

Evaluation of the soil moisture prediction accuracy of a space radar using simulation techniques

Image simulation techniques were employed to generate synthetic aperture radar images of a 17.7 km x 19.3 km test site located east of Lawrence, Kansas. The simulations were performed for a space SAR at an orbital altitude of 600 km, with the following sensor parameters: frequency = 4.75 GHz, polarization = HH, and angle of incidence range = 7 deg to 22 deg from nadir. Three sets of images were produced corresponding to three different spatial resolutions; 20 m x 20 m with 12 looks, 100 m x 100 m with 23 looks, and 1 km x 1 km with 1000 looks. Each set consisted of images for four different soil moisture distributions across the test site. Results indicate that, for the agricultural portion of the test site, the soil moisture in about 90% of the pixels can be predicted with an accuracy of = + or - 20% of field capacity. Among the three spatial resolutions, the 1 km x 1 km resolution gave the best results for most cases, however, for very dry soil conditions, the 100 m x 100 m resolution was slightly superior

Asymptotically exact dispersion relations for collective modes in a confined charged Fermi liquid

Using general local conservations laws we derive dispersion relations for edge modes in a slab of electron liquid confined by a symmetric potential. The dispersion relations are exact up to $\lambda^{2} q^{2}$, where $q$ is a wave vector and $\lambda$ is an effective screening length. For a harmonic external potential the dispersion relations are expressed in terms of the {\em exact} static pressure and dynamic shear modulus of a homogeneous liquid with the density taken at the slab core. We also derive a simple expression for the frequency shift of the dipole (Kohn) modes in nearly parabolic quantum dots in a magnetic field.Comment: RevTeX4, 4 pages. Revised version with new results on quantum qots and wires. Published in Phys.Rev.

Computer modelling of anthelmintic resistance and worm control outcomes for refugia-based nematode control strategies in Merino ewes in Western Australia

This study utilised computer simulation modelling (Risk Management Model for Nematodes) to investigate the impact of different parasite refugia scenarios on the development of anthelmintic resistance and worm control effectiveness. The simulations were conducted for adult ewe flocks in a Mediterranean climatic region over a 20 year time period. Factors explored in the simulation exercise were environment (different weather conditions), drug efficacy, the percentage of the flock left untreated, the timing of anthelmintic treatments, the initial worm egg count, and the number of drenches per annum. The model was run with variable proportions of the flock untreated (0, 10, 20, 30, 40 and 50%), with ewes selected at random so that reductions in the mean worm burden or egg count were proportional to the treated section of the flock. Treatments to ewes were given either in summer (December; low refugia potential, hence highly selective) or autumn (March; less selective due to a greater refugia potential), and the use of different anthelmintics was simulated to indicate the difference between active ingredients of different efficacy. Each model scenario was run for two environments, specifically a lower rainfall area (more selective) and a higher rainfall area (less selective) within a Mediterranean climatic zone, characterised by hot, dry summers and cool, wet winters. Univariate general linear models with least square difference post-hoc tests were used to examine differences between means of factors. The results confirmed that leaving a proportion of sheep in a flock untreated was effective in delaying the development of anthelmintic resistance, with as low as 10% of a flock untreated sufficient to significantly delay resistance, although this strategy was associated with a small reduction in worm control. Administering anthelmintics in autumn rather than summer was also effective in delaying the development of anthelmintic resistance in the lower rainfall environment where all sheep were treated, although the effect of treatment timing on worm control effectiveness varied between the environments and the proportion of ewes left untreated. The use of anthelmintics with higher efficacy delayed the development of resistance, but the initial worm egg count or number of annual treatments had no effect on either the time to resistance development or worm control effectiveness. In conclusion, the modelling study suggests that leaving a small proportion of ewes untreated, or changing the time of treatment, can delay the onset of anthelmintic resistance in a highly selective environmen

Severity of disease and risk of malignant change in hereditary multiple exostoses. A genotype-phenotype study

We performed a prospective genotype-phenotype study using molecular screening and clinical assessment to compare the severity of disease and the risk of sarcoma in 172 individuals (78 families) with hereditary multiple exostoses. We calculated the severity of disease including stature, number of exostoses, number of surgical procedures that were necessary, deformity and functional parameters and used molecular techniques to identify the genetic mutations in affected individuals. Each arm of the genotype-phenotype study was blind to the outcome of the other. Mutations EXT1 and EXT2 were almost equally common, and were identified in 83% of individuals. Non-parametric statistical tests were used. There was a wide variation in the severity of disease. Children under ten years of age had fewer exostoses, consistent with the known age-related penetrance of this condition. The severity of the disease did not differ significantly with gender and was very variable within any given family. The sites of mutation affected the severity of disease with patients with EXT1 mutations having a significantly worse condition than those with EXT2 mutations in three of five parameters of severity (stature, deformity and functional parameters). A single sarcoma developed in an EXT2 mutation carrier, compared with seven in EXT1 mutation carriers. There was no evidence that sarcomas arose more commonly in families in whom the disease was more severe. The sarcoma risk in EXT1 carriers is similar to the risk of breast cancer in an older population subjected to breast-screening, suggesting that a role for regular screening in patients with hereditary multiple exostoses is justifiable. ©2004 British Editorial Society of Bone and Joint Surgery

Pupil mobility, attainment and progress in secondary school

This paper is the second of two articles arising from a study of the association between pupil mobility and attainment in national tests and examinations in an inner London borough. The first article (Strand & Demie, 2006) examined the association of pupil mobility with attainment and progress during primary school. It concluded that pupil mobility had little impact on performance in national tests at age 11, once pupils’ prior attainment at age 7 and other pupil background factors such as age, sex, special educational needs, stage of fluency in English and socio-economic disadvantage were taken into account. The present article reports the results for secondary schools (age 11-16). The results indicate that pupil mobility continues to have a significant negative association with performance in public examinations at age 16, even after including statistical controls for prior attainment at age 11 and other pupil background factors. Possible reasons for the contrasting results across school phases are explored. The implications for policy and further research are discussed

Two complete syntheses of (S)-aspartate semi-aldehyde and demonstration that Delta(2)-tetrahydroisophthalic acid is a non-competitive inhibitor of dihydrodipicolinate synthase

The document attached has been archived with permission from the publisher.We report, in full, two 3-step syntheses of (S)-aspartate semi-aldehyde, an important synthetic and biosynthetic precursor, from diprotected aspartic acid. The first synthesis proceeds via a thioester, the second via a Weinreb amide. Each route yields pure (S)-aspartate semi-aldehyde in excellent yield. The utility of (S)-aspartate semi-aldehyde prepared in this manner was demonstrated with an inhibition study of dihydrodipicolinate synthase, wherein Δ2- tetrahydroisophthalic acid is shown to be a non-competitive inhibitor with respect to both substrates.Sarah J. Roberts, Jonathan C. Morris, Renwick C.J. Dobson, Chris L. Baxter, and Juliet A. Gerrar

Mining Social Media Data to Study the Consequences of Dementia Diagnosis on Caregivers and Relatives

INTRODUCTION: Caregivers for people with dementia face a number of challenges such as changing family relationships, social isolation, or financial difficulties. Internet usage and social media are increasingly being recognised as resources to increase support and general public health. OBJECTIVE: Using automated analysis, the aim of this study was to explore (i) the age and sex of people who post to the social media forum Reddit about dementia diagnoses, (ii) the affected person and their diagnosis, (iii) which subreddits authors are posting to, (iv) the types of messages posted, and (v) the content of these posts. METHODS: We analysed Reddit posts concerning dementia diagnoses and used a previously developed text analysis pipeline to determine attributes of the posts and their authors. The posts were further examined through manual annotation of the diagnosis provided and the person affected. Lastly, we investigated the communities posters engage with and assessed the contents of the posts with an automated topic gathering/clustering technique. RESULTS: Five hundred and thirty-five Reddit posts were identified as relevant and further processed. The majority of posters in our dataset are females and predominantly close relatives, such as parents and grandparents, are mentioned. The communities frequented and topics gathered reflect not only the person's diagnosis but also potential outcomes, for example hardships experienced by the caregiver or the requirement for legal support. CONCLUSIONS: This work demonstrates the value of social media data as a resource for in-depth examination of caregivers' experience after a dementia diagnosis. It is important to study groups actively posting online, both in topic-specific and general communities, as they are most likely to benefit from novel internet-based support systems or interventions