249 Works

Electron backscatter diffraction data for mylonites from the Kuckaus Mylonite Zone, Namibia

Christian A Stenvall, Duncan Muir & Ake Fagereng
Electron backscatter diffraction was used on thin sections of three mylonites (protomylonite, mylonite, ultramylonite) from the Kuckaus Mylonite Zone, Namibia, cut parallel to lineation and perpendicular to foliation. The dataset includes four Channel 5 sample sets (.cpr and .crc), one for each mylonite and one for a porphyroclast pressure shadow from the protomylonite. The raw data were used in the analysis for the publication mentioned below in order to obtain crystallographic preferred orientations, internal misorientations...

A Ball-Milling Enabled Reformatsky Reaction

Qun Cao, Roderick T Stark, Ian A Fallis & Duncan L Browne
The data here contains a selection of 1H, 13C, 19F NMR data, as well as IR, MS and any relevant chromatography information. Some files may be processed in advance and deposited and some may require access to typical processing tools for data of this type. Abstract: An operationally simple one‐jar one‐step mechanochemical Reformatsky reaction using in situ generated organozinc intermediates under neat grinding conditions has been developed. Notable features are that this reaction protocol requires...

Aluminium-catalysed isocyanate trimerization, enhanced by exploiting a eynamic coordination sphere

Mohammed A Bahili, Emily C Stokes, Robert C Amesbury, Darren M C Ould, Bashar Christo, Rhian J Horne, Benson M Kariuki, Jack A Stewart, Rebekah L Taylor, P Andrew Williams & Benjamin D Ward
Earth-abundant main group metals are inherently labile, which has hitherto hindered their use in catalysis. In the present paper, we show that such lability can actually be exploited, by providing a dynamic coordination sphere that promotes the aluminum-catalyzed synthesis of isocyanurates. Isocyanurates find widespread use in building insulation and in the coatings industry and are prepared by the nucleophile-catalyzed trimerization of isocyanates, yet high catalyst loadings and substantially elevated temperatures are generally required. For the...

Microscopy and gene expression data for Candida albicans virulence attributes

Daniel J Morse, David D Williams, Melanie J Wilson, Xiao-Qing Wei & Michael A O Lewis
This study aimed to evaluate the effects of oral bacteria toward Candida albicans virulence attributes. The supporting data includes fluorescent microscopy images to identify candida hyphae, and graphical representation of gene expression data.

Superconducting boron doped nanocrystalline diamond on boron nitride ceramics

Soumen Mandal, Henry A Bland, Jerome J Cuenca, Malcolm Snowball & Oliver A Williams
With the advancement in diamond growth technology it is possible to grow diamond on variety of non-diamond materials. The diamond films are polycrystalline in nature but retain all superlative properties such as superhardness1, superconductivity2, high thermal conductivity3, high dielectric strength4 seen in single crystal diamond. Another material with excellent dielectric property is boron nitride. It can be formed into synthetic material which is machinable, making it very attractive of variety of applications. It is also...

Privacy Risk Awareness when Sharing Location Information on Online Social Networks

Alia I Abdelmoty & Fatma S Al-Rayes
The result of a study involving 715 anonymous participants. The study is in the form of 10 scenarios in which participants were asked to say how likely they were to share their location. The study also involved the participants' responses to open-ended questions in which they were able to justify their sharing decisions and add additional information about their sharing habits.

Impact of Flow Hydrodynamics and Pipe Material Properties on Biofilm Development within Drinking Water Systems

Matthew W Cowle, Gordon Webster, Akintunde O Babatunde, Bettina N Bockelmann-Evans & Andrew J Weightman
A study to investigate the combined impact of flow hydrodynamics and pipe material on biofilm development in drinking water distribution systems (DWDS). Biofilms formed on four commonly used pipe materials within a series of purpose built flow cell reactors at two different flow regimes (high and low flow). Pipe materials assessed within this study were polyvinyl chloride (PVC), polypropylene (PP), structured wall high-density polyethylene (Str-HDPE) and solid wall high-density polyethylene (S-HDPE). Results indicate that varying...

Mixing thermodynamics and electronic structure of the Pt₁₋ₓNiₓ (0 ≤ x ≤ 1) bimetallic alloy

Louise M Botha, David Santos Carballal, Umberto Terranova, Matthew G Quesne, Marietjie J Ungerer, Cornelia G C E Van Sittert & Nora H De Leeuw
The Pt1−xNix solid solution has been investigated using density functional theory (DFT) calculations. Pt-based bimetallic alloys are currently used as alternative bifunctional electrode materials for the electro-catalytic oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) underpinning the technology required for regenerative fuel cells. The work involved studying the mixing thermodynamics and electronic structure of the solid solution with Pt and Ni as end members. The data described here are ASCII files containing the data...

Selected energy dark-field imaging using low energy electrons for optimal surface phase discrimination

Yuran R Niu, Juan Pereiro, Daniel Gomez & David E Jesson
We propose a general strategy for surface phase discrimination by dark-field imaging using low energy electrons, which maximizes contrast using diffraction spots, at selected optimal energies. The method can be automated to produce composite phase maps in real space and study the dynamics of complex phase transformations in real-time. To illustrate the capabilities of the technique, surface phases are mapped in the vicinity of liquid Ga droplets on the technologically important GaAs (001) surface. The...

Propagation losses in photonic crystal waveguides embedding InAs/GaAs quantum dots determined by direct spectral imaging

Lorenzo Scarpelli, Ben Lang, Francesco Masia & Wolfgang W Langbein
The white light reflection image of the waveguide is a bitmap file. The spectral image is given in ASCII matrix, with dimensions 1340x60 pixels. The energy axis can be calibrated using P1*x + P2, P1=-7.34555954E-3 nm/pixel, P2=8.86977966E+2 nm, initial pixel x=0. The x position axis can be calibrated using P1*y + P2, P1=5.95401108E-1 um/pixel, P2=-3.26574554E+1 um, initial pixel x=24. Intensity scale: from -3.26574554E+1 to 3.0072E+4 counts; multiply by 2/60 to obtain intensity in photoelectrons per...

Influence of steam addition and elevated ambient conditions on NOx reduction in a staged premixed swirling NH3 /H2 flame

Daniel G Pugh, Philip J Bowen, Agustin Valera Medina, Anthony P Giles, Jon P Runyon & Richard Marsh
The dataset comprises numerical and experimental emissions data, and optical chemiluminesence .CSV datafiles: The numerically modelled emissions data were obtained using CHEMKIN-PRO, labelled "Modelled Data" The experimental emissions datafile is labelled "Experimental Data". The datasets are organised in terms of the designated pressure, (P), Water loading (WL), and Secondary air (SA) as described in the paper. The .CSV image files represent Abel transformed chemiluminesence intensities, arranged into a pixel array as captured by the camera...

SHREC’19: Shape Correspondence with Isometric and Non-Isometric Deformations

Roberto M Dyke, Caleb Stride, Yu-Kun Lai & Paul L Rosin
We have produced a new dataset from 3D scans of real-world objects, captured by ourselves using a high-precision 3D scanner (Artec3D Space Spider) designed for small objects. Each object exhibits one or more types of deformation. We classify these surface deformations into four distinct groups by level of complexity: 1.) articulating, 2.) bending, 3.) stretching, 4.) geometrically and topologically changing. The dataset consists of scans of wooden mannequins and wooden hands that are articulated. Further...

Nuclear spin assisted quantum tunnelling of magnetic monopoles in spin ice

Sean R Giblin, Carley Paulsen & Elsa Lhotel
The data of Fig 3 a-c are stored as column 1 (magnetisation) column 2 (time) for the different wait times for each experiment (isotope of spine ice ) below the freezing temperature. Clearly the magnetisation changes depending on the wait time showing non-equilibrium behaviour The data of Fig 4 a-c are stored as column 1 (field) column 2 (magnetisation) for the different wait times in each sheet for the different isotopes of spin ice. Clearly...

Iron-Catalyzed Borrowing Hydrogen C-Alkylation of Oxindoles Using Alcohols

Mubarak M Dambatta & Kurt Polidano
A general and efficient iron‐catalyzed C‐alkylation of oxindoles has been developed. This borrowing hydrogen approach employs a (cyclopentadienone)iron carbonyl complex (2 mol %) and exhibits a broad reaction scope, allowing benzylic and simple primary and secondary aliphatic alcohols to be employed as alkylating agents. A variety of oxindoles undergo selective mono-C(3)-alkylation in good to excellent isolated yields (28 examples, 50-92% yield, 79% average yield). Analysis of reaction products from this methodology resulted in the following...

The elasto-plastic behaviour of three-dimensional stochastic fibre networks with cross-linkers

Yan Hui Ma, Han Xing Zhu, Bo Su, G K Hu & Richard Perks
Fibre network materials constitute a class of highly porous materials with low density, promising for functional and structural applications; however, very limited research has been conducted, especially on simulation and analytical models. In this paper, a continuum mechanics-based three-dimensional periodic beam-network model has been constructed to describe the stochastic fibre network materials. In this model, the density of the cross- linkers is directly related to the relative density of the fibre network materials, and the...

PIPD(1602) mixed 10 and 15 micron beads raw data (311016)

Robert Thomas & Peter M Smowton
The data set contains time resolved photovoltage signals from a Photonic integrated particle detector (PIPD) for a 180 s flow of mixed 10 and 15 micron polystyrene beads. the data is contained in two separate csv files. The first column contains the time data and each of the following four columns contains the photovoltage signal, in arbitrary units, as measured on each of the four laser/detectors of the PIPD. The times t1, t2, t3 and...

Copper oxide for potential photovoltaic application - density functional theory simulation datasets

Živković A, Roldan A & De Leeuw NH
In order to study copper oxide materials as possible photovoltaics, their electronic, magnetic, and optic properties need to be assessed. Density functional theory (DFT) theoretical simulation datasets are available in the .ods format (can be viewed either by MS Office or Libre Office) comprising 3 data sheets which correspond to the mechanic, electronic, and optic properties of Cu2O, Cu4O3, and CuO. One addition sheet contains the calculated values of the electronic dipole transition matrix between...

Strain Compensated Triple Barrier Resonant Tunnelling Structures for THz Applications

Craig P Allford & Philip D Buckle
Current Density-Voltage characteristics simulations have been performed for a series of triple barrier resonant tunnelling structures in the InGaAs/AlAs material system using a non-equilibrium Green's function solver, WinGreen. Data files for the current density-voltage characteristics are supplied in .txt format, with each file appropriately named & headers included for each of the two columns within the file. Data used to create the figures included in the related publication were extracted from the current density-voltage characteristics...

Data for publication "Hybrid-DFT Modelling of Lattice and Surface Vacancies in MnO"

Andrew J Logsdail, Christopher A Downing, Thomas W Keal, Paul Sherwood, Alexey A Sokol & C Richard A Catlow
These data comprise the raw energies of bulk MnO models, and MnO (100) surfaces, with and without defects and/or adsorbates as appropriate. All energies are derived using QM/MM approaches, with the QM energy evaluated using density functional theory (exchange-correlation functional given where appropriate) and including polarisation corrections. All units are in Hartree.

Catalytic influence of water vapor on lean blowoff and NOx reduction for pressurized swirling syngas flames

Pugh DG, Bowen PJ, Crayford AP, Marsh R, Runyon JP, Morris SM & Giles AP
It has become increasingly cost-effective for the steel industry to invest in the capture of heavily carbonaceous BOF (Basic Oxygen Furnace) or converter gas, and use it to support the intensive energy demands of the integrated facility, or for surplus energy conversion in power plants. As industry strives for greater efficiency via ever more complex technologies, increased attention is being paid to investigate the complex behavior of by-product syngases. Recent studies have described and evidenced...

WISERD Knowing Localities Research Programme 2008-11: Interviews

S Orford, SK Jones, SJ Burgess, K Moles, AC Dicks, IM Stafford, M Jones, A Plows, E Morris, J Heley, L Jones, M Woods, M Martsin, RD Jones, R Mann, S Baker, S Wynne-Jones & S Watkin
The WISERD locality research programme comprised a series of locality studies, carried out by six full-time researchers, based in Aberystwyth, Bangor, and Cardiff Universities. The Locality Research Programme had five key aims: i) providing a way of researching the imagined and material experiences of stakeholders and communities; ii) examining the processes and practices of devolution in sub-national settings; iii) acting as an interface with policy stakeholders in different parts of Wales; iv) gaining a unique...

Wide-field imaging of single nanoparticle extinction with sub-nm^2 noise floor

Lukas Payne, Wolfgang W Langbein & Paola Borri
The data contain 1) Optical extinction images of gold nanoparticles 2) Measured and fitted sensitivity of cross-section measurements versus number of frames 3) Measured cross-sections of 5nm diameter gold nanoparticles 4) Histograms of extinctions images 5) Calculated effects of in-band filtering on the cross-section noise 6) Calculated systematic errors of the cross-section analysis

Water utility decision support ontology, rules and validation data

Howell SK & Rezgui Y
The dataset involves a comprehensive ontology and rule base, developed with industry experts and instantiated from GIS, sensor, and EPANET data for a Welsh pilot. The ontology and rule base underpin a test web service, developed as part of a research project, to provide discoverability, context and meaning for the sensor readings stored in a scalable database. The goal of the service was to aid in decision making and an interface displays sensor data and...

Vulnerability Assessment of European Gas supply

Olanrewaju OT
As indigenous natural gas reserves within the European Union (EU) decline, higher gas imports are expected in order to meet future EU gas demand. Natural gas will be transported across considerable distances from regions of gas reserves to European consumers. This raises security of gas supply concerns especially for EU countries that depend heavily on a single supply source or major transit route. A linear programming model of the European gas supplies was developed and...

Variation in electrosurgical vessel seal quality along the length of a porcine carotid artery

H Wyatt, R Richards, E Blain, J Yang, R Pullin & SL Evans
Porcine common carotid arteries, from pigs aged 4 - 6 months, were obtained from a local abattoir, with all testing conducted within 10h of slaughter. Vessels were skeletonised and sectiones using a scalpel; a 2mm sample was fixed in 10% buffered formalin for histological analysis and a 20mm section taken for sealing with an electrosurgical vessel sealing device. The position from the bifurcatuion was measured, along with the outer vessel diameter and wall thickness. All...

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