895 research outputs found
Energetic and spatial bonding properties from angular distributions of ultraviolet photoelectrons: application to the GaAs(110) surface
Angle-resolved ultraviolet photoemission spectra are interpreted by combining
the energetics and spatial properties of the contributing states. One-step
calculations are in excellent agreement with new azimuthal experimental data
for GaAs(110). Strong variations caused by the dispersion of the surface bands
permit an accurate mapping of the electronic structure. The delocalization of
the valence states is discussed analogous to photoelectron diffraction. The
spatial origin of the electrons is determined, and found to be strongly energy
dependent, with uv excitation probing the bonding region.Comment: 5 pages, 3 figures, submitted for publicatio
Band dispersion in the deep 1s core level of graphene
Chemical bonding in molecules and solids arises from the overlap of valence
electron wave functions, forming extended molecular orbitals and dispersing
Bloch states, respectively. Core electrons with high binding energies, on the
other hand, are localized to their respective atoms and their wave functions do
not overlap significantly. Here we report the observation of band formation and
considerable dispersion (up to 60 meV) in the core level of the carbon
atoms forming graphene, despite the high C binding energy of 284
eV. Due to a Young's double slit-like interference effect, a situation arises
in which only the bonding or only the anti-bonding states is observed for a
given photoemission geometry.Comment: 12 pages, 3 figures, including supplementary materia
Integration for Sustainable Development: A Report for Practitioners
A report based on research undertaken for the Ashford’s Integrated Alternatives (AIA) Project, 2009-2011EPSRC - under the Ashford's Integrated Alternatives Projec
Herschel Observations of the W43 "mini-starburst"
Aims: To explore the infrared and radio properties of one of the closest
Galactic starburst regions. Methods: Images obtained with the Herschel Space
Observatory at wavelengths of 70, 160, 250, 350, and 500 microns using the PACS
and SPIRE arrays are analyzed and compared with radio continuum VLA data and 8
micron images from the Spitzer Space Telescope. The morphology of the
far-infrared emission is combined with radial velocity measurements of
millimeter and centimeter wavelength transitions to identify features likely to
be associated with the W43 complex. Results: The W43 star-forming complex is
resolved into a dense cluster of protostars, infrared dark clouds, and ridges
of warm dust heated by massive stars. The 4 brightest compact sources with L >
1.5 x 10^4 Lsun embedded within the Z-shaped ridge of bright dust emission in
W43 remain single at 4" (0.1 pc) resolution. These objects, likely to be
massive protostars or compact clusters in early stages of evolution are
embedded in clumps with masses of 10^3 to 10^4 Msun, but contribute only 2% to
the 3.6 x 10^6 Lsun far-IR luminosity of W43 measured in a 16 by 16 pc box. The
total mass of gas derived from the far-IR dust emission inside this region is
~10^6 Msun. Cometary dust clouds, compact 6 cm radio sources, and warm dust
mark the locations of older populations of massive stars. Energy release has
created a cavity blowing-out below the Galactic plane. Compression of molecular
gas in the plane by the older HII region near G30.684-0.260 and the bipolar
structure of the resulting younger W43 HII region may have triggered the
current mini-star burst.Comment: 5 pages, 3 figures, accepted for A&A Special Issu
Integration for sustainable development: A report for practitioners
This report is an important output of a government-funded research project under EPSRC’s Sustainable Urban Environment programme. The aim of this project – Ashford’s Integrated Alternatives – was to examine the benefits and difficulties of planning, specifying and delivering more integrated utility provision as a component of sustainable development (specifically water and energy) through the lens of the delivery of substantial housing targets in Ashford, Kent (a designated growth area)
Separable Dual Space Gaussian Pseudo-potentials
We present pseudo-potential coefficients for the first two rows of the
periodic table. The pseudo potential is of a novel analytic form, that gives
optimal efficiency in numerical calculations using plane waves as basis set. At
most 7 coefficients are necessary to specify its analytic form. It is separable
and has optimal decay properties in both real and Fourier space. Because of
this property, the application of the nonlocal part of the pseudo-potential to
a wave-function can be done in an efficient way on a grid in real space. Real
space integration is much faster for large systems than ordinary multiplication
in Fourier space since it shows only quadratic scaling with respect to the size
of the system. We systematically verify the high accuracy of these
pseudo-potentials by extensive atomic and molecular test calculations.Comment: 16 pages, 4 postscript figure
Methods of Inactivation of SARS-CoV-2 for Downstream Biological Assays
The scientific community has responded to the coronavirus disease 2019 (COVID-19) pandemic by rapidly undertaking research to find effective strategies to reduce the burden of this disease. Encouragingly, researchers from a diverse array of fields are collectively working towards this goal. Research with infectious severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is undertaken in high-containment laboratories; however, it is often desirable to work with samples at lower-containment levels. To facilitate the transfer of infectious samples from high-containment laboratories, we have tested methods commonly used to inactivate virus and prepare the sample for additional experiments. Incubation at 80°C, a range of detergents, Trizol reagents, and UV energies were successful at inactivating a high titer of SARS-CoV-2. Methanol and paraformaldehyde incubation of infected cells also inactivated the virus. These protocols can provide a framework for in-house inactivation of SARS-CoV-2 in other laboratories, ensuring the safe use of samples in lower-containment levels
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Mars analysis correction data assimilation: a multi-annual reanalysis of atmospheric observations for the red planet
Ever-increasing numbers of atmospheric observations from orbiting spacecraft, and increasingly sophisticated numerical atmospheric models, have recently permitted data assimilation techniques to be applied to planets beyond the Earth. Mars is the first extra-terrestrial planet for which reanalyses of the atmospheric state are now available.
The Thermal Emission Spectrometer (TES) on board NASA’s Mars Global Surveyor (MGS) has produced an extensive atmospheric data set during its scientific mapping phase between 1999 and 2004. Nadir thermal profiles for the atmosphere below about 40 km altitude, and total dust and water ice opacities, have been retrieved from TES spectra, covering almost three complete Martian seasonal cycles (each seasonal cycle on Mars corresponds to 668.6 mean solar days, and the Martian mean solar day is about 24 hours and 40 minutes). Note that dust on Mars plays a key role in the weather and climate, mainly through its strong absorption of short wave radiation with a short radiative relaxation timescale of 1-2 days. Assimilating dust opacities correctly is, therefore, particularly important for atmospheric data assimilation on the Red Planet.
TES retrieved observations have been analysed by assimilation into a Mars general circulation model (MGCM), making use of a sequential procedure known as the Analysis Correction scheme, a form of successive corrections method which has proved simple and robust under Martian conditions, even during the less-than-ideal MGS aerobraking period. The MGCM used at the University of Oxford and at The Open University consists of a spectral dynamical solver and a tracer transport scheme developed in the UK. Its package of state-of-the-art physical parameterization routines is shared with the LMD-MarsGCM, developed by the Laboratoire de Météorologie Dynamique in Paris (France).
One limitation of TES is that relatively few limb profiles are available, compared to nadir soundings. Our MGS/TES reanalysis, therefore, does not include observations of temperature above about 40 km altitude, nor 3D information on dust opacity (the vertical distribution of dust opacity is prescribed assuming a well mixed dust layer with a rapid transition to a clear upper atmosphere at a height which depends on latitude and season.
In September 2006 NASA’s Mars Reconnaissance Orbiter (MRO) started its mapping phase. The Mars Climate Sounder (MCS) on board MRO is a radiometer with eight mid- and far-infrared
channels and one visible channel, which takes measurements in limb and off-nadir geometries. Retrieved vertical profiles of temperature, dust and water ice opacities from MCS observations can now be assimilated using the same scheme we used for TES, with the advantage of the extension in altitude (thermal profiles can extend to above 80 km altitude, although errors become larger at greater altitudes), the increased vertical resolution (~ 5km compared to > 10km for TES nadir retrievals), and the direct information on the vertical distribution of dust and water ice.
Overall, the application of our data assimilation scheme to retrieved observations from TES and MCS spans almost six complete Martian seasonal cycles. This represents a multi-annual climatology for Mars, which has the advantage of being a complete, dynamically-balanced, four-dimensional best-fit to observations for all the atmospheric variables, including those for which no direct measurements are available (e.g. wind and surface pressure) and with regions of no observations filled-in in a physically-consistent way.
The reanalysis represents, therefore, a unique opportunity to study the inter-annual variability of the Martian weather and climate with respect to all its components, such as the dust cycle, the water cycle, the CO2 cycle, the atmospheric tides and other prominent waves, such as high latitude baroclinic waves.
In this contribution we present the first results of a complete assimilation of both datasets, using a consistent model and data assimilation scheme, and highlight the challenges of combining TES and MCS data assimilation to produce a multi-annual climatology. Particular attention will be devoted to the inter-annual variability of the atmospheric thermal field in response to dust storm activity. We will also provide an insight into the dynamics, looking in particular at the high latitude winds, waves and polar vortices.
Our data assimilation products are freely available to the community for both science- and engineering-oriented purposes. The British Atmospheric Data Centre (BADC, http://badc.nerc.ac.uk) hosts our datasets, which, for the time being, are limited to the MGS/TES reanalysis. People may contact the corresponding author in order to register their interest and be updated about the status of the project. New versions of the MGS/TES reanalysis as well as the MRO/MCS reanalysis will be made available through the BADC in future.
Interested people can download the current TES reanalysis dataset by registering at the BADC and searching for the MACDA (“Mars Analysis Correction Data Assimilation”) project. The direct link to the project is provided by the following URL: http://badc.nerc.ac.uk/view/badc.nerc.ac.uk__ATOM__DE_095e8da2-cf02-11e0-8b7a-00e08147026
Exploring pig trade patterns to inform the design of risk-based disease surveillance and control strategies
An understanding of the patterns of animal contact networks provides essential information for the design of risk-based animal disease surveillance and control strategies. This study characterises pig movements throughout England and Wales between 2009 and 2013 with a view to characterising spatial and temporal patterns, network topology and trade communities. Data were extracted from the Animal and Plant Health Agency (APHA)’s RADAR (Rapid Analysis and Detection of Animal-related Risks) database, and analysed using descriptive and network approaches. A total of 61,937,855 pigs were moved through 872,493 movements of batches in England and Wales during the 5-year study period. Results show that the network exhibited scale-free and small-world topologies, indicating the potential for diseases to quickly spread within the pig industry. The findings also provide suggestions for how risk-based surveillance strategies could be optimised in the country by taking account of highly connected holdings, geographical regions and time periods with the greatest number of movements and pigs moved, as these are likely to be at higher risk for disease introduction. This study is also the first attempt to identify trade communities in the country, information which could be used to facilitate the pig trade and maintain disease-free status across the country in the event of an outbreak
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