Accurate structure factors from pseudopotential methods

Highly accurate experimental structure factors of silicon are available in the literature, and these provide the ideal test for any \emph{ab initio} method for the construction of the all-electron charge density. In a recent paper [J. R. Trail and D. M. Bird, Phys. Rev. B {\bf 60}, 7863 (1999)] a method has been developed for obtaining an accurate all-electron charge density from a first principles pseudopotential calculation by reconstructing the core region of an atom of choice. Here this method is applied to bulk silicon, and structure factors are derived and compared with experimental and Full-potential Linear Augmented Plane Wave results (FLAPW). We also compare with the result of assuming the core region is spherically symmetric, and with the result of constructing a charge density from the pseudo-valence density + frozen core electrons. Neither of these approximations provide accurate charge densities. The aspherical reconstruction is found to be as accurate as FLAPW results, and reproduces the residual error between the FLAPW and experimental results.Comment: 6 Pages, 3 figure

Diffusion quantum Monte Carlo study of three-dimensional Wigner crystals

We report diffusion quantum Monte Carlo calculations of three-dimensional Wigner crystals in the density range r_s=100-150. We have tested different types of orbital for use in the approximate wave functions but none improve upon the simple Gaussian form. The Gaussian exponents are optimized by directly minimizing the diffusion quantum Monte Carlo energy. We have carefully investigated and sought to minimize the potential biases in our Monte Carlo results. We conclude that the uniform electron gas undergoes a transition from a ferromagnetic fluid to a body-centered-cubic Wigner crystal at r_s=106+/-1. The diffusion quantum Monte Carlo results are compared with those from Hartree-Fock and Hartree theory in order to understand the role played by exchange and correlation in Wigner crystals. We also study "floating" Wigner crystals and give results for their pair-correlation functions

Identity crisis: A theoretical analysis of ‘team identification’ research.

Research question: Existing team identification research uses various definitions, conceptualisations, and theoretical frameworks. In this paper, we provide a theoretical analysis of previous research using the two dominant theoretical approaches: identity theory and the social identity approach. Our primary purpose is to provide a theoretical framework for the on-going study of ‘team’ identification in sport management research. Findings: Scholars have used identity theory (role) and the social identity approach (group) in their quest to understand team identification, however, limited attention has been paid to the differences between the two frameworks. We focus on two aspects of role and group identification that epitomize divergence in terms of analytical focus and explanations for behavior: the basis for identification and salience. Implications. The manuscript concludes with three recommendations for future research. First, with the aim of making future research more specific, we recommend the use of fan (spectator) identification in studies using identity theory and team identification (organisation / brand) in studies exploring the influence of group identity. Second, we outline definitions for role (fan) and group (team) identification in sport research. Finally, we reflect on the measurement of team identification

Core reconstruction in pseudopotential calculations

A new method is presented for obtaining all-electron results from a pseudopotential calculation. This is achieved by carrying out a localised calculation in the region of an atomic nucleus using the embedding potential method of Inglesfield [J.Phys. C {\bf 14}, 3795 (1981)]. In this method the core region is \emph{reconstructed}, and none of the simplifying approximations (such as spherical symmetry of the charge density/potential or frozen core electrons) that previous solutions to this problem have required are made. The embedding method requires an accurate real space Green function, and an analysis of the errors introduced in constructing this from a set of numerical eigenstates is given. Results are presented for an all-electron reconstruction of bulk aluminium, for both the charge density and the density of states.Comment: 14 pages, 5 figure

How Visitors and Locals at a Sport Event Differ in Motives and Identity

Although the literature on events differentiates between locals, casual attendees, and those who have travelled specifically to attend the event, little is known about how the types of attendee differ. This study compared the fan motivation, leisure motivation, and identification with the subculture of athletics reported by a sample (N = 777) of attendees at the 2005 Pan American Junior Athletics Championships. Age, gender, and income were also included. Regression analyses were used to determine the structure of relations among the variables, and to ascertain whether the levels of motivation or identity varied among the three types of attendee. Tests for linear restrictions were used to determine whether the structure of relations among the variables differed by type of attendee. The structure of relations among the variables did not differ among the three types of attendee, but attendees who had travelled specifically to attend the event reported substantially higher identification with the subculture of athletics, and slightly higher fan motivation. Identification with the subculture of athletics mediated much of the effect. Females reported higher fan motivation and higher leisure motivation than did males. Age had a small but significant relationship with fan motivation, and income had a small but significant relationship with leisure motivation. Findings are generally consistent with predictions derived from theories of motivation, subculture, and gender roles. It is suggested that marketing communications directed out-of-town should highlight opportunities to strengthen, parade, and celebrate, while those in the local trading radius should underscore the entertainment, aesthetics, and vicarious achievement featured at the event

Osteoprotegerin: A Novel Secreted Protein Involved in the Regulation of Bone Density

AbstractA novel secreted glycoprotein that regulates bone resorption has been identified. The protein, termed Osteoprotegerin (OPG), is a novel member of the TNF receptor superfamily. In vivo, hepatic expression of OPG in transgenic mice results in a profound yet nonlethal osteopetrosis, coincident with a decrease in later stages of osteoclast differentiation. These same effects are observed upon administration of recombinant OPG into normal mice. In vitro, osteoclast differentiation from precursor cells is blocked in a dose-dependent manner by recombinant OPG. Furthermore, OPG blocks ovariectomy-associated bone loss in rats. These data show that OPG can act as a soluble factor in the regulation of bone mass and imply a utility for OPG in the treatment of osteoporosis associated with increased osteoclast activity

Mechanisms controlling anaemia in Trypanosoma congolense infected mice.

Trypanosoma congolense are extracellular protozoan parasites of the blood stream of artiodactyls and are one of the main constraints on cattle production in Africa. In cattle, anaemia is the key feature of disease and persists after parasitaemia has declined to low or undetectable levels, but treatment to clear the parasites usually resolves the anaemia. The progress of anaemia after Trypanosoma congolense infection was followed in three mouse strains. Anaemia developed rapidly in all three strains until the peak of the first wave of parasitaemia. This was followed by a second phase, characterized by slower progress to severe anaemia in C57BL/6, by slow recovery in surviving A/J and a rapid recovery in BALB/c. There was no association between parasitaemia and severity of anaemia. Furthermore, functional T lymphocytes are not required for the induction of anaemia, since suppression of T cell activity with Cyclosporin A had neither an effect on the course of infection nor on anaemia. Expression of genes involved in erythropoiesis and iron metabolism was followed in spleen, liver and kidney tissues in the three strains of mice using microarrays. There was no evidence for a response to erythropoietin, consistent with anaemia of chronic disease, which is erythropoietin insensitive. However, the expression of transcription factors and genes involved in erythropoiesis and haemolysis did correlate with the expression of the inflammatory cytokines Il6 and Ifng. The innate immune response appears to be the major contributor to the inflammation associated with anaemia since suppression of T cells with CsA had no observable effect. Several transcription factors regulating haematopoiesis, Tal1, Gata1, Zfpm1 and Klf1 were expressed at consistently lower levels in C57BL/6 mice suggesting that these mice have a lower haematopoietic capacity and therefore less ability to recover from haemolysis induced anaemia after infection