Theoretical X-Ray Absorption Debye-Waller Factors

An approach is presented for theoretical calculations of the Debye-Waller factors in x-ray absorption spectra. These factors are represented in terms of the cumulant expansion up to third order. They account respectively for the net thermal expansion $\sigma^{(1)}(T)$, the mean-square relative displacements $\sigma^2(T)$, and the asymmetry of the pair distribution function $\sigma^{(3)}(T)$. Similarly, we obtain Debye-Waller factors for x-ray and neutron scattering in terms of the mean-square vibrational amplitudes $u^2(T)$. Our method is based on density functional theory calculations of the dynamical matrix, together with an efficient Lanczos algorithm for projected phonon spectra within the quasi-harmonic approximation. Due to anharmonicity in the interatomic forces, the results are highly sensitive to variations in the equilibrium lattice constants, and hence to the choice of exchange-correlation potential. In order to treat this sensitivity, we introduce two prescriptions: one based on the local density approximation, and a second based on a modified generalized gradient approximation. Illustrative results for the leading cumulants are presented for several materials and compared with experiment and with correlated Einstein and Debye models. We also obtain Born-von Karman parameters and corrections due to perpendicular vibrations.Comment: 11 pages, 8 figure

Improving measurements of SF6 for the study of atmospheric transport and emissions

Sulfur hexafluoride (SF6) is a potent greenhouse gas and useful atmospheric tracer. Measurements of SF6 on global and regional scales are necessary to estimate emissions and to verify or examine the performance of atmospheric transport models. Typical precision for common gas chromatographic methods with electron capture detection (GC-ECD) is 1–2%. We have modified a common GC-ECD method to achieve measurement precision of 0.5% or better. Global mean SF6 measurements were used to examine changes in the growth rate of SF6 and corresponding SF6 emissions. Global emissions and mixing ratios from 2000–2008 are consistent with recently published work. More recent observations show a 10% decline in SF6 emissions in 2008–2009, which seems to coincide with a decrease in world economic output. This decline was short-lived, as the global SF6 growth rate has recently increased to near its 2007–2008 maximum value of 0.30±0.03 pmol mol−1 (ppt) yr−1 (95% C.L.)

Electromagnetically induced transparency in superconducting quantum circuits : Effects of decoherence, tunneling and multi-level cross-talk

We explore theoretically electromagnetically-induced transparency (EIT) in a superconducting quantum circuit (SQC). The system is a persistent-current flux qubit biased in a $\Lambda$ configuration. Previously [Phys. Rev. Lett. 93, 087003 (2004)], we showed that an ideally-prepared EIT system provides a sensitive means to probe decoherence. Here, we extend this work by exploring the effects of imperfect dark-state preparation and specific decoherence mechanisms (population loss via tunneling, pure dephasing, and incoherent population exchange). We find an initial, rapid population loss from the $\Lambda$ system for an imperfectly prepared dark state. This is followed by a slower population loss due to both the detuning of the microwave fields from the EIT resonance and the existing decoherence mechanisms. We find analytic expressions for the slow loss rate, with coefficients that depend on the particular decoherence mechanisms, thereby providing a means to probe, identify, and quantify various sources of decoherence with EIT. We go beyond the rotating wave approximation to consider how strong microwave fields can induce additional off-resonant transitions in the SQC, and we show how these effects can be mitigated by compensation of the resulting AC Stark shifts

Formation of shock waves in a Bose-Einstein condensate

We consider propagation of density wave packets in a Bose-Einstein condensate. We show that the shape of initially broad, laser-induced, density perturbation changes in the course of free time evolution so that a shock wave front finally forms. Our results are well beyond predictions of commonly used zero-amplitude approach, so they can be useful in extraction of a speed of sound from experimental data. We discuss a simple experimental setup for shock propagation and point out possible limitations of the mean-field approach for description of shock phenomena in a BEC.Comment: 8 pages & 6 figures, minor changes, more references, to appear in Phys. Rev.

Towards a first principles description of phonons in Ni50_{50}Pt50_{50} disordered alloys: the role of relaxation

Using a combination of density-functional perturbation theory and the itinerant coherent potential approximation, we study the effects of atomic relaxation on the inelastic incoherent neutron scattering cross sections of disordered Ni$_{50}$Pt$_{50}$ alloys. We build on previous work, where empirical force constants were adjusted {\it ad hoc} to agree with experiment. After first relaxing all structural parameters within the local-density approximation for ordered NiPt compounds, density-functional perturbation theory is then used to compute phonon spectra, densities of states, and the force constants. The resulting nearest-neighbor force constants are first compared to those of other ordered structures of different stoichiometry, and then used to generate the inelastic scattering cross sections within the itinerant coherent potential approximation. We find that structural relaxation substantially affects the computed force constants and resulting inelastic cross sections, and that the effect is much more pronounced in random alloys than in ordered alloys.Comment: 8 pages, 3 eps figures, uses revtex

Thoughts and acts of self-harm, and suicidal ideation, in online gamblers

Gambling problems have been linked to suicidal ideation and enhanced risk of suicide attempts. However, we know very little about the factors associated with either thoughts or acts of self-harm amongst people who gamble. A web-based study of 4125 online gamblers (79% males; mean age 35.5 years), analysed using hierarchical multiple regression, revealed that self-reported non-gambling-related self-harm was negatively related to age and marital status, and positively related to problematic alcohol use. Self-reported acts of self-harm both related and unrelated to gambling were associated with drug misuse. Thoughts and acts of gambling-related self-harm were associated with problem gambling, gambling involvement and parental problem gambling. All types of self-harm were associated with mood disorder symptoms, unemployment and certain gambling motivations. When tailoring assessment and interventions for individuals at risk for gambling-related deliberate self-harm, it is important to recognize that contributory factors may include some that differ from those for deliberate self-harm in general, and that there is potential value in evaluating gambling involvement and motivations, and history of parental gambling.supported by the Responsibility in Gambling Trust and the Economic and Social Research Council under grant number 164-25-000

Statistical Basis for Predicting Technological Progress

Forecasting technological progress is of great interest to engineers, policy makers, and private investors. Several models have been proposed for predicting technological improvement, but how well do these models perform? An early hypothesis made by Theodore Wright in 1936 is that cost decreases as a power law of cumulative production. An alternative hypothesis is Moore's law, which can be generalized to say that technologies improve exponentially with time. Other alternatives were proposed by Goddard, Sinclair et al., and Nordhaus. These hypotheses have not previously been rigorously tested. Using a new database on the cost and production of 62 different technologies, which is the most expansive of its kind, we test the ability of six different postulated laws to predict future costs. Our approach involves hindcasting and developing a statistical model to rank the performance of the postulated laws. Wright's law produces the best forecasts, but Moore's law is not far behind. We discover a previously unobserved regularity that production tends to increase exponentially. A combination of an exponential decrease in cost and an exponential increase in production would make Moore's law and Wright's law indistinguishable, as originally pointed out by Sahal. We show for the first time that these regularities are observed in data to such a degree that the performance of these two laws is nearly tied. Our results show that technological progress is forecastable, with the square root of the logarithmic error growing linearly with the forecasting horizon at a typical rate of 2.5% per year. These results have implications for theories of technological change, and assessments of candidate technologies and policies for climate change mitigation

Long-term trends in the foraging ecology and habitat use of an endangered species: an isotopic perspective.

Evaluating long-term drivers of foraging ecology and population productivity is crucial for providing ecological baselines and forecasting species responses to future environmental conditions. Here, we examine the trophic ecology and habitat use of North Atlantic leatherback turtles (St. Croix nesting population) and investigate the effects of large-scale oceanographic conditions on leatherback foraging dynamics. We used bulk and compound-specific nitrogen isotope analysis of amino acids (CSIA-AA) to estimate leatherback trophic position (TP) over an 18-year period, compare these estimates with TP estimates from a Pacific leatherback population, and elucidate the pre-nesting habitat use patterns of leatherbacks. Our secondary objective was to use oceanographic indices and nesting information from St. Croix leatherbacks to evaluate relationships between trophic ecology, nesting parameters, and regional environmental conditions measured by the North Atlantic Oscillation (NAO) and Atlantic Multidecadal Oscillation. We found no change in leatherback TP over time and no difference in TP between Atlantic and Pacific leatherbacks, indicating that differences in trophic ecology between populations are an unlikely driver of the population dichotomy between Pacific and Atlantic leatherbacks. Isotope data suggested that St. Croix leatherbacks inhabit multiple oceanic regions prior to nesting, although, like their conspecifics in the Pacific, individuals exhibit fidelity to specific foraging regions. Leatherback nesting parameters were weakly related to the NAO, which may suggest that positive NAO phases benefit St. Croix leatherbacks, potentially through increases in resource availability in their foraging areas. Our data contribute to the understanding of leatherback turtle ecology and potential mechanistic drivers of the dichotomy between populations of this protected species

Vitamin D deficiency in Malawian adults with pulmonary tuberculosis : risk factors and treatment outcomes

The study was supported by a Wellcome Trust (London, UK) Clinical PhD Fellowship awarded to DS (086757/Z/08/A) and the Malawi Liverpool Wellcome Trust (MLW) Core grant from the Wellcome Trust.SETTING: Vitamin D deficiency is common in African adults with tuberculosis (TB), and may be exacerbated by the metabolic effects of anti-tuberculosis drugs and antiretroviral therapy (ART). It is unclear whether vitamin D deficiency influences response to antituberculosis treatment. OBJECTIVES : To describe risk factors for baseline vitamin D deficiency in Malawian adults with pulmonary TB, assess the relationship between serum 25-hydroxy vitamin D (25[OH]D) concentration and treatment response, and evaluate whether the administration of anti-tuberculosis drugs and ART is deleterious to vitamin D status during treatment. DESIGN: A prospective longitudinal cohort study. RESULTS : The median baseline 25(OH)D concentration of the 169 patients (58% human immunodeficiency virus [HIV] infected) recruited was 57 nmol/l; 47 (28%) had vitamin D deficiency (<50 nmol/l). Baseline 25(OH)D concentrations were lower during the cold season (P < 0.001), with food insecurity (P = 0.034) or in patients who consumed alcohol (P = 0.019). No relationship between vitamin D status and anti-tuberculosis treatment response was found. 25(OH)D concentrations increased during anti-tuberculosis treatment, irrespective of HIV status or use of ART. CONCLUSIONS : Vitamin D deficiency is common among TB patients in Malawi, but this does not influence treatment response. Adverse metabolic effects of drug treatment may be compensated by the positive impact of clinical recovery preventing exacerbation of vitamin D deficiency during anti-tuberculosis treatment.Publisher PDFPeer reviewe

Editorial: Advances in the Biology and Conservation of Marine Turtles

(First Paragraph) Marine turtles have been the subject of research over many decades, inspired by their unique life history and necessitated by their declining populations from a suite of human impacts including direct harvest, bycatch in marine fisheries, pollution, and climate change. Despite this, much about marine turtle biology has remained a mystery (Godley et al., 2008; Rees et al., 2016; Wildermann et al., 2018), but the rate of scientific discovery is increasing rapidly. As research techniques and conservation practices expand, the marine turtle research community has kept abreast of these developments and their application to marine turtles. In this special Research Topic, researchers submitted articles related to cutting-edge work in biology and conservation. The resulting 10 articles bring new insights across marine turtle movement, conservation, and methodological and analytical techniques, as well as other understudied areas and issues