Structures of solid hydrogen at 300K

We present results predicting experimentally measurable structural quantities from molecular dynamics studies of hydrogen. In doing this, we propose a paradigm shift for experimentalists -- that the predictions from such calculations should be seen as the most likely hypotheses. Specifically, the experimental results should be aiming to distinguish between the candidate low-energy structures, rather than aiming to solve the simplest structure consistent with the data. We show that the room temperature X-ray diffraction patterns for hydrogen phases I, III, IV and V are very similar, with only small peaks denoting symmetry-breaking from the hcp Phase I. Because they incorporate atomic displacements the XRD patterns implied by molecular dynamics calculations are very different from those arising from the static minimum enthalpy structures found by structure searching. Simulations also show that within Phase I the molecular becomes increasingly confined to the basal plane and suggest the possibility of an unusual critical point terminating the Phase I-III boundary line

Using GAMA to probe the impact of small-scale galaxy physics on nonlinear redshift-space distortions

We present improved modelling of the redshift-space distortions of galaxy clustering that arise from peculiar velocities. We create mock galaxy catalogues in the framework of the halo model, using data from the Bolshoi project. These mock galaxy populations are inserted into the haloes with additional degrees of freedom that govern spatial and kinematical biases of the galaxy populations relative to the dark matter. We explore this generalised halo model with an MCMC algorithm, comparing the predictions to data from the Galaxy And Mass Assembly (GAMA) survey, and thus derive one of the first constraints on the detailed kinematic degrees of freedom for satellite galaxies within haloes. With this approach, the distortions of the redshift-space galaxy autocorrelations can be accounted for down to spatial separations close to 10 kpc, opening the prospect of improved RSD measurements of the perturbation growth rate by the inclusion of data from nonlinear scales.Comment: 19 pages, 10 figures, comments are welcom

Pressure-induced Miscibility Increase of CH4 in H2O: A Computational Study Using Classical Potentials

Methane and water demix under normal (ambient) pressure and temperature conditions, due to the polar nature of water and the apolar nature of methane. Recent experimental work has shown, though, that increasing the pressure to values between 1 and 2 GPa (10 to 20 kbar) leads to a marked increase of methane solubility in water, for temperatures which are well below the critical temperature for water. Here we perform molecular dynamics simulations based on classical force fields – which are well-used and have been validated at ambient conditions – for different values of pressure and temperature. We find the expected increase in miscibility for mixtures of methane and supercritical water; however our model fails to reproduce the experimentally observed increase in methane solubility at large pressures and below the critical temperature of water. This points to the need to develop more accurate force fields for methane and methane-water mixtures under pressure

Ammonia Mono Hydrate IV: An Attempted Structure Solution

The mixed homonuclear and heteronuclear hydrogen bonds in ammonia hydrates have been of interest for several decades. In this manuscript, a neutron powder diffraction study is presented to investigate the structure of ammonia monohydrate IV at 170 K at an elevated pressure of 3–5 GPa. The most plausible structure that accounts for all features in the experimental pattern was found in the P21/c space group and has the lattice parameters a=5.487(3) Å, b=19.068(4) Å, c=5.989(3) Å, and β=99.537(16) deg. While the data quality limits discussion to a proton-ordered structure, the structure presented here sheds light on an important part of the ammonia–water phase diagram

Galaxy and Mass Assembly (GAMA): probing galaxy-group correlations in redshift space with the halo streaming model

We have studied the galaxy-group cross-correlations in redshift space for the Galaxy And Mass Assembly (GAMA) Survey. We use a set of mock GAMA galaxy and group catalogues to develop and test a novel ‘halo streaming’ model for redshift-space distortions. This treats 2-halo correlations via the streaming model, plus an empirical 1-halo term derived from the mocks, allowing accurate modelling into the non-linear regime. In order to probe the robustness of the growth rate inferred from redshift-space distortions, we divide galaxies by colour, and divide groups according to their total stellar mass, calibrated to total mass via gravitational lensing. We fit our model to correlation data, to obtain estimates of the perturbation growth rate, fσ8, validating parameter errors via the dispersion between different mock realizations. In both mocks and real data, we demonstrate that the results are closely consistent between different subsets of the group and galaxy populations, considering the use of correlation data down to some minimum projected radius, rmin. For the mock data, we can use the halo streaming model to below rmin = 5 h−1 Mpc, finding that all subsets yield growth rates within about 3 per cent of each other, and consistent with the true value. For the actual GAMA data, the results are limited by cosmic variance: fσ8 = 0.29 ± 0.10 at an effective redshift of 0.20; but there is every reason to expect that this method will yield precise constraints from larger data sets of the same type, such as the Dark Energy Spectroscopic Instrument (DESI) bright galaxy surve

Joint Healthcare Infection Society (HIS) and Infection Prevention Society (IPS) guidelines for the prevention and control of meticillin-resistant Staphylococcus aureus (MRSA) in healthcare facilities

Meticillin-resistant Staphylococcus aureus (MRSA) infections remain a serious cause of healthcare-associated infection (HCAI) in many countries. MRSA is easily spread by multiple routes and can persist in the environment for long periods. In health and care settings, transmission via staff hands remains the most important route for patient MRSA acquisition. Infection prevention and control (IPC) measures and control of the use of antimicrobials are effective in reducing prevalence of MRSA. There have been many publications related to MRSA since the last guideline was published in 2006 and this update contains further measures that are clinically effective for preventing transmission when used by healthcare workers (Table I). Methods for systematic review were in accordance with National Institute for Health and Care Excellence (NICE) approved methodology and critical appraisal followed Scottish Intercollegiate Guidelines Network (SIGN) and other standard checklists. Articles published between 2004 and February 2021 were included. Questions for review were derived from a stakeholder meeting, which included patient representatives in accordance with the Population Intervention Comparison Outcome(PICO) framework. Recommendations are made in the following areas: screening, management of colonised healthcare staff, environmental screening and cleaning/disinfection, surveillance, IPC precautions (including isolation and movement of patients and equipment), and patient information

Galaxy and Mass Assembly (GAMA): ugriz galaxy luminosity functions

Galaxy and Mass Assembly (GAMA) is a project to study galaxy formation and evolution, combining imaging data from ultraviolet to radio with spectroscopic data from the AAOmega spectrograph on the Anglo-Australian Telescope. Using data from Phase 1 of GAMA, taken over three observing seasons, and correcting for various minor sources of incompleteness, we calculate galaxy luminosity functions (LFs) and their evolution in the ugriz passbands. At low redshift, z < 0.1, we find that blue galaxies, defined according to a magnitude-dependent but non-evolving colour cut, are reasonably well fitted over a range of more than 10 magnitudes by simple Schechter functions in all bands. Red galaxies, and the combined blue plus red sample, require double power-law Schechter functions to fit a dip in their LF faintwards of the characteristic magnitude M* before a steepening faint end. This upturn is at least partly due to dust-reddened disc galaxies. We measure the evolution of the galaxy LF over the redshift range 0.002 < z < 0.5 both by using a parametric fit and by measuring binned LFs in redshift slices. The characteristic luminosity L* is found to increase with redshift in all bands, with red galaxies showing stronger luminosity evolution than blue galaxies. The comoving number density of blue galaxies increases with redshift, while that of red galaxies decreases, consistent with prevailing movement from blue cloud to red sequence. As well as being more numerous at higher redshift, blue galaxies also dominate the overall luminosity density beyond redshifts z≃ 0.2. At lower redshifts, the luminosity density is dominated by red galaxies in the riz bands, and by blue galaxies in u and g