Cation composition effects on oxide conductivity in the Zr_2Y_2O_7-Y_3NbO_7 system

Realistic, first-principles-based interatomic potentials have been used in molecular dynamics simulations to study the effect of cation composition on the ionic conductivity in the Zr2Y2O7-Y3NbO7 system and to link the dynamical properties to the degree of lattice disorder. Across the composition range, this system retains a disordered fluorite crystal structure and the vacancy concentration is constant. The observed trends of decreasing conductivity and increasing disorder with increasing Nb5+ content were reproduced in simulations with the cations randomly assigned to positions on the cation sublattice. The trends were traced to the influences of the cation charges and relative sizes and their effect on vacancy ordering by carrying out additional calculations in which, for example, the charges of the cations were equalised. The simulations did not, however, reproduce all the observed properties, particularly for Y3NbO7. Its conductivity was significantly overestimated and prominent diffuse scattering features observed in small area electron diffraction studies were not always reproduced. Consideration of these deficiencies led to a preliminary attempt to characterise the consequence of partially ordering the cations on their lattice, which significantly affects the propensity for vacancy ordering. The extent and consequences of cation ordering seem to be much less pronounced on the Zr2Y2O7 side of the composition range.Comment: 22 pages, 8 figures, submitted to Journal of Physics: Condensed Matte

The Angular Momentum Evolution of 0.1-10 Msun Stars From the Birthline to the Main Sequence

(Abridged) Projected rotational velocities (vsini) have been measured for a sample of 145 stars with masses between 0.4 and >10 Msun (median mass 2.1 Msun) located in the Orion star-forming complex. These measurements have been supplemented with data from the literature for Orion stars with masses as low as 0.1 Msun. The primary finding from analysis of these data is that the upper envelope of the observed values of angular momentum per unit mass (J/M) varies as M^0.25 for stars on convective tracks having masses in the range ~0.1 to ~3 Msun. This power law extends smoothly into the domain of more massive stars (3 to 10 Msun), which in Orion are already on the ZAMS. This result stands in sharp contrast to the properties of main sequence stars, which show a break in the power law and a sharp decline in J/M with decreasing mass for stars with M <2 Msun. A second result of our study is that this break is seen already among the PMS stars in our Orion sample that are on radiative tracks, even though these stars are only a few million years old. A comparison of rotation rates seen for stars on either side of the convective-radiative boundary shows that stars do not rotate as solid bodies during the transition from convective to radiative tracks.Comment: to appear in Ap

High-pressure behaviour of GeO2: a simulation study

In this work we study the high pressure behaviour of liquid and glassy GeO2 by means of molecular dynamics simulations. The interaction potential, which includes dipole polarization effects, was parameterized from first-principles calculations. Our simulations reproduce the most recent experimental data to a high degree of precision. The proportion of the various GeOn polyhedra is determined as a function of the pressure: a smooth transition from tetrahedral to octahedral network is observed. Finally, the study of high-pressure, liquid germania confirms that this material presents an anomalous behaviour of the diffusivity as observed in analog systems such as silica and water. The importance of penta-coordinated germanium ions for such behaviour is stressed.Comment: 16 pages, 4 figures, accepted as a Fast Track Communication on Journal of Physics: Condensed Matte

Dynamical segregation of galaxies in groups and clusters

We have performed a systematic analysis of the dynamics of different galaxy populations in galaxy groups from the 2dFGRS. For this purpose we have combined all the groups into a single system, where velocities v and radius r are expressed adimensionally. We have used several methods to compare the distributions of relative velocities of galaxies with respect to the group centre for samples selected according to their spectral type (as defined by Madgwick et al., 2002), bj band luminosity and B-R colour index. We have found strong segregation effects: spectral type I objects show a statistically narrower velocity distribution than that of galaxies with a substantial star formation activity (type II-IV). Similarly, the same behavior is observed for galaxies with colour index B-R>1 compared to galaxies with B-R<1. Bright (Mb-19) galaxies show the same segregation. It is not important once the sample is restricted to a given spectral type. These effects are particularly important in the central region (Rp<Rvirial/2) and do not have a strong dependence on the mass of the parent group. These trends show a strong correlation between the dynamics of galaxies in groups and star formation rate reflected both by spectral type and by colour index.Comment: 7 pages, 8 figures. Accepted for publication in MNRA

Impact of weight maintenance and loss on diabetes risk and burden: a population-based study in 33,184 participants

$\textbf{Background}$ Weight loss in individuals at high risk of diabetes is an effective prevention method and a major component of the currently prevailing diabetes prevention strategies. The aim of the present study was to investigate the public health potential for diabetes prevention of weight maintenance or moderate weight loss on a population level in an observational cohort with repeated measurements of weight and diabetes status. $\textbf{Methods}$ Height, weight and diabetes status were objectively measured at baseline and 10 year follow-up in a population-based cohort of 33,184 participants aged 30–60 years between 1990 and 2013 in Västerbotten County, Sweden. The association between risk of incident diabetes and change in BMI or relative weight was modelled using multivariate logistic regression. Population attributable fractions (PAF) were used to assess population impact of shift in weight. $\textbf{Results}$ Mean (SD) BMI at baseline was 25.0 (3.6) kg/m$^2$. Increase in relative weight between baseline and follow-up was linearly associated with incident diabetes risk, odds ratio (OR) 1.05 (95% confidence interval (CI) 1.04–1.06) per 1% change in weight. Compared to weight maintenance (±1.0 kg/m$^2$), weight gain of >+1.0 kg/m$^2$ was associated with an increased risk of incident diabetes, OR 1.52 (95% CI 1.32, 1.74), representing a PAF of 21.9% (95% CI 15.8, 27.6%). For moderate weight loss (−1.0 to −2.0 kg/m$^2$) the OR was 0.72 (95% CI 0.52, 0.99). $\textbf{Conclusions}$ Weight maintenance in adulthood is strongly associated with reduced incident diabetes risk and there is considerable potential for diabetes prevention in promoting this as a whole population strategy.This work was supported by the Medical Research Council [MC_UU_12015/ 4], the Swedish Council for Working Life and Social Research [FAS 2006_1512] and the Swedish Research Council [2006-21576-36119-666]. The Västerbotten Intervention Programme is financed by Västerbotten County Council. Dr Feldman is supported by the Raymond and Beverly Sackler Foundation through Churchill College, Cambridge

Two massive star-forming regions at early evolutionary stages

We report sensitive ATCA radio-continuum observations toward IRAS 15596-5301 and 16272-4837, two luminous objects (> 2x10^4 Lsun) thought to represent massive star-forming regions in early stages of evolution (due to previously undetected radio emission at the 1-sigma level of 2 mJy per beam). Also reported are 1.2-millimeter continuum and a series of molecular-line observations made with the SEST telescope. For IRAS 15596-5301, the observations reveal the presence of three distinct compact radio-continuum sources associated with a dense molecular core. We suggest that this core contains a cluster of B stars which are exciting compact HII regions that are in pressure equilibrium with the dense molecular surroundings. No radio continuum emission was detected from IRAS 16272-4837 (3-sigma limit of 0.2 mJy). However, a dense molecular core has been detected. The high luminosity and lack of radio emission from this massive core suggests that it hosts an embedded young massive protostar that is still undergoing an intense accretion phase. This scenario is supported by the observed characteristics of the line profiles and the presence of a bipolar outflow detected from observations of the SiO emission. We suggest that IRAS 16272-4837 is a bona fide massive star- forming region in a very early evolutionary stage, being the precursor of an ultra compact HII region.Comment: 25 pages, 9 figures, accepted for publication in The Astrophysical Journa

Galaxy And Mass Assembly (GAMA) : galaxy close pairs, mergers and the future fate of stellar mass

ASGR acknowledges STFC and SUPA funding that were used to do this work. GAMA is funded by the STFC (UK), the ARC (Australia), the AAO and the participating institutions.We use a highly complete subset of the Galaxy And Mass Assembly II (GAMA-II) redshift sample to fully describe the stellar mass dependence of close pairs and mergers between 10(8) and 10(12)M(circle dot). Using the analytic form of this fit we investigate the total stellar mass accreting on to more massive galaxies across all mass ratios. Depending on how conservatively we select our robust merging systems, the fraction of mass merging on to more massive companions is 2.0-5.6 per cent. Using the GAMA-II data we see no significant evidence for a change in the close pair fraction between redshift z = 0.05 and 0.2. However, we find a systematically higher fraction of galaxies in similar mass close pairs compared to published results over a similar redshift baseline. Using a compendium of data and the function gamma(M) = A(1 + z)(m) to predict the major close pair fraction, we find fitting parameters of A = 0.021 +/- 0.001 and m = 1.53 +/- 0.08, which represents a higher low-redshift normalization and shallower power-law slope than recent literature values. We find that the relative importance of in situ star formation versus galaxy merging is inversely correlated, with star formation dominating the addition of stellar material below M* and merger accretion events dominating beyond M*. We find mergers have a measurable impact on the whole extent of the galaxy stellar mass function (GSMF), manifest as a deepening of the 'dip' in the GSMF over the next similar to Gyr and an increase in M* by as much as 0.01-0.05 dex.Publisher PDFPeer reviewe

The angular correlations of galaxies in the COSMOS field

We present measurements of the two-point galaxy angular correlation function w(\theta) in the COSMOS field. Independent determinations of w(\theta) as a function of magnitude limit are presented for both the HST ACS catalog and also for the ground-based data from Subaru and the CFHT. Despite having significantly different masks, these three determinations agree well. At bright magnitudes (IAB<22), our data generally match very well with existing measurements and with mock catalogs based on semi-analytic galaxy formation calculations of Kitzbichler and White from the Millennium Simulation. The exception is that our result is at the upper end of the expected cosmic variance scatter for \theta > 10 arcmin, which we attribute to a particularly rich structure known to exist at z~0.8. For fainter samples, however, the level of clustering is somewhat higher than reported by some previous studies: in all three catalogues we find w(\theta=1')~0.014 at a median IAB magnitude of 24. At these very faintest magnitudes, our measurements agree well with the latest determinations from the Canada-France Legacy Survey. This level of clustering is approximately double what is predicted by the semi-analytic catalogs (at all angles). The semi-analytic results allow an estimate of cosmic variance, which is too small to account for the discrepancy. We therefore conclude that the mean amplitude of clustering at this level is higher than previously estimated.Comment: Six pages, five figures. Accepted for publication in the ApJS COSMOS special issue, Sept. 200

Additive CHARMM force field for naturally occurring modified ribonucleotides

International audienceMore than 100 naturally occurring modified nucleotides have been found in RNA molecules, in particular in tRNAs. We have determined molecular mechanics force field parameters compatible with the CHARMM36 all-atom additive force field for all these modifications using the CHARMM force field parametrization strategy. Emphasis was placed on fine tuning of the partial atomic charges and torsion angle parameters. Quantum mechanics calculations on model compounds provided the initial set of target data, and extensive molecular dynamics simulations of nucleotides and oligonucleotides in aqueous solutions were used for further refinement against experimental data. The presented parameters will allow for computational studies of a wide range of RNAs containing modified nucleotides, including the ribosome and transfer RNAs. (C) 2016 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc