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Dataset for "Prospects for engineering thermoelectric properties in La1/3NbO3 ceramics revealed via atomic-level characterization and modelling"
No full textThis dataset contains data underlying results published in the paper "Prospects for engineering thermoelectric properties in La1/3NbO3 ceramics revealed via atomic-level characterization and modelling". It includes the images obtained from the experimental characterisation and the computer simulation datasets used to perform the molecular dynamics.All simulations were run on ARCHER (UK), on 96 processors. For each arrangement of La, the system was simulated at 500K, 700K, 900K, 1100K and 1300K.DigitalMicrograph DM3 files may be read using Gatan Microscopy Suite software, ImageJ (NIH) and EMAN2 (NCMI).
The LMP files are intended for use with LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator), available from Sandia National Laboratories. To re-run the simulations, in input.lmp, change "variable T equal" to the corresponding temperature in Kelvin. Once this simulation has finished, restart it by setting "variable Ep equal" and "variable Ev equal" to 0 in input.lmp, then rename new_data.lmp to data.lmp; also move flux.txt to a different location. This will restart the calculation, which is continuous as velocities will not be reset. A new flux.txt will be generated which can be appended to the previous flux.txt and analysed.LNO_Data.zip contains the DigitalMicrograph images of the HRTEM (high-resolution transmission electron microscopy) component of the study. The four files provide EELS and HAADF images for 2 directions.
MD-calculations.zip contains molecular dynamics configurations for use with LAMMPS. The folders X20, X50 and X90 each represent a concentration of La in Sr1-xLa2x/3TiO3. For each concentration of La, there are three folders each representing an arrangement of La: lasr, lav and rand. In each of these folders, there are 2 files needed to run LAMMPS: input.lmp and data.lmp, compressed using GZIP
Single molecule experimental data for intensity histograms in Gilburt et al, Angewandte 2017
No full textRaw and partially processed single molecule intensity histogram data for the following publication:
James A H Gilburt, Hajrah Sarkar, Peter Sheldrake, Julian Blagg, Liming Ying, Charlotte A Dodson (2017) Dynamic equilibrium of the Aurora-A kinase activation loop revealed by single molecule spectroscopy. Angewandte Chemi
Code and data supporting the paper "Incremental Material Flow Analysis with Bayesian Inference"
No full textThis dataset includes data from the paper "Incremental Material Flow Analysis with Bayesian Inference", derived from real global steel flow data from Cullen et al. (2012). It also includes the code to reproduce the figures, written in Python in the form of Jupyter notebooks. A conda environment file is included to easily set up the necessary Python packages to run the notebooks.Format: Python Jupyter notebook (http://jupyter.org), sankeyview (https://github.com/ricklupton/sankeyview). Instructions for setting up a Conda environment with the required software are included in the zip file
Dataset for Content Analysis of Media Coverage of the 2015 British General Election
No full textThese data consist of analysis of media coverage of the 2015 British General Election. Media included are national newspapers, local newspapers, national and regional television news, and radio. The complete list of outlets is included in the codebooks.
The substantive questions examined were: The flow of campaign information. Traditional academic models depict campaign information flows as linear, from elites to opinion leaders to masses, but this may no longer be accurate in a world in which social media can provide a platform for opinion leaders (and masses) to produce information. While some think that social media have made opinion leaders even more important, others argue that it has cut them out of the picture, with information flowing directly to the consumer. The changing media landscape matters in a second way - not in terms of the flow of information but, more straightforwardly, for where if at all people obtain political information in a world of declining newspaper readership and trust in media. Moreover, the traditional media no longer play the same gatekeeping role, potentially diluting their influence on the issue agenda. For example, traditional campaigns in the UK followed a pattern in which parties held morning press conferences that launched the 'theme of the day'. While the media may not have always framed the theme in the way parties would have wished, the press conference set the issue agenda for 24 hours. That no longer seems to be the case. The role of the media, both social and traditional, in the post-election period. Interpretations of election results may be important in two respects: in conferring legitimacy upon the outcome and thus fostering what is sometimes known as "losers' consent", and in providing a narrative about the mandate the incoming government enjoys. The study also addressed four deficiencies in existing studies of British media election coverage: that they tend to focus on election coverage, ignoring non-election coverage and thus not permitting analysis of the overall news context or the prominence of the election as an issue; that the data are either not made publicly available or only made available years after the election; that recent British election studies have permitted little understanding of media effects due to very few questions about media habits; and that British media studies tend to rely exclusively on survey data, ignoring the benefits for establishing causation and effect sizes offered by field experiments. The proposed research brought together investigators with a unique combination of expertise in human and automated traditional and social media content analysis and statistical modelling skills.Transcription of existing materialsThe content analysis data can be linked to the British Election Survey Wave 5, which has been included in the study with additional variables at the end of the files. The additional variables are derived from the open ended variables pertaining to media use asked in the BES (tv1_1, tv2_1, tv3_1, radio1_1, radio2_1, radio3_1, paper1_1, paper2_1, paper3_1, internet1_1, internet2_1, internet3_1). The new variables are named paper1, paper2, paper3, internet1, internet2, internet3, tv1, tv2, tv3, radio2, radio1 and radio3. Users of the data may either wish to link all the content of the outlets used by an individual respondent to a measure of media exposure or to weight it by frequency of use of that media. Frequency of use is contained in the BES file in variables infoSourceTV, infoSourcePaper, infoSourceRadio and inforSourceInternet.
The original BES data used can be downloaded from Wave 5 of the 2014-2018 British Election Study Internet Panel
Strong Rotational Anisotropies Affect Nonlinear Chiral Metamaterials
No full textThis is the Dataset for paper titled: Strong Rotational Anisotropies Affect Nonlinear Chiral Metamaterials
Produced by David Hooper ([email protected]) and Joel Collins ([email protected])• The folders TI-539A and TI-540A contain SHG continuous polarization data for the left- and right-handed nanohelices, respectively. The data found in these folders is used to produce figures 2c-f, 3, 4 in the manuscript and figures S2-S6 in the supporting information.
o The subfolders are split into measurements performed at normal incidence and 45 degrees incidence.
The subfolders give information about the sample geometry such as the polarizer-analyzer configuration and which parts were rotated.
• The data files are then named such as 20160218_Pol_0_Ana_0_Sample_0_QWP_0to360Step5_17h07m18s
which should be read as:
DateStamp_PolarizerAngle_AnalyzerAngle_SampleAngle_QWP_Range&Step_TimeStamp
o There are two columns within each data file. The 1st column contains the angle (in degrees) of the Quarter-wave plate (QWP) over the range and in steps given in the file name. The 2nd column contains the SHG counts per second recorded by the photon counting system. (The zero degree angle means that the fast axis of a component is horizontal with respect to the bench. 90 degrees then means the fast axis is vertical (normal to the bench). The angle of the components (not sample) is recorded from the frame of reference looking against the direction of propagation, zero on the left-hand side horizontal and the fast axis rotated clockwise. This information should be enough to reconstruct the polarization state incident on the sample.)
• The folder “Linear Polarization Anisotropy P-in P-out TI540A” contains the data for the continuous polarization measurement displayed in Figure 2a of the paper. These measurements are performed at 45 degrees incidence.
o The file format is the same as explained above.
• The “Linear Spectrum” folder contains the data for figures 2b and S1. It contains its own read me file
Data sets for the Journal of Physics: Condensed Matter article entitled “Structure of rare-earth chalcogenide glasses by neutron and x-ray diffraction”
No full textData sets used to prepare Figures 1 – 10 in the Journal of Physics: Condensed Matter article entitled “Structure of rare-earth chalcogenide glasses by neutron and x-ray diffraction.” The files are labelled according to the figure numbers. The data sets were created using the methodology described in the manuscript. Each of the plots was drawn using Origin (http://www.originlab.com/). The data set corresponding to a plotted curve within an Origin file can be identified by clicking on that curve. The units for each axis are identified on the plots.The data sets were collected using the methods described in the published paper.The data sets were analysed using the methods described in the published paper.Figures 1 - 10 were prepared using Origin (http://www.originlab.com/). The data set corresponding to a plotted curve within an Origin file can be identified by clicking on that curve
Data to accompany the article "Lattice dynamics of the tin sulphides SnS2, SnS and Sn2S3: vibrational spectra and thermal transport"
No full textThis repository contains key raw data from the calculations performed in the manuscript, including the optimised structures, data from the lattice-dynamics calculations, the simulated spectra and the thermal-conductivity tensors
Probabilistic adaptive thermal comfort for resilient design
No full textAdaptive thermal comfort theory has become the bedrock of much thinking about how to judge if a free-running environment is suitable for human occupation. In design work, the conditions predicted by a thermal model, when the model is presented with one possible annual weather time series (a reference year), are compared to the limits of human comfort. If the temperatures are within the comfort limits, the building is judged to be suitable. However, the weather in many locations can vary year-on-year by a considerable margin, and this begs the question, how robust are the predictions of adaptive comfort theory likely to be over the many years a building might be in use? We answer this question using weather data recorded for up to 30 years for locations within each of the five major Köppen climate classifications. We find that the variation in the annual time series is so great that the predicted comfort temperature frequently lies outside the acceptable range given by the reference year. Return periods for the excursions of the time series are calculated for each location. The results for one location are then validated using the world's longest temperature record. These results suggest that industry and academia would be best advised to move to a probabilistic methodology, like the proposed one, when using adaptive comfort theory to judge the likely conditions within a building. Extra pertinence is provided by concerns over increases in mortality and morbidity in buildings due to a rapidly warming climate.3,000 years of weather was generated for London, Edinburgh and Manchester and are available to download in this data repository. The weather generator used in this work was that used by the UK Climate Impacts Programme. The probabilistic projection methodology in UKCP09 involves sampling climate modelling uncertainties by combining results from perturbed variants of the UK Met Office global climate model (HadCM3) with projections from an ensemble of four alternative international climate models used by the fourth IPCC assessment report. Running the weather generator involves declaring a time period and a world carbon emission scenario. In this work the time slice was set to the 2020s, as this is the closest to the current date, and the emission scenario to low (to create the minimum perturbation from current weather)
Sulfur and oxygen impurities in ReSe2: symmetry breaking and local vibrational modes
No full textThis dataset supports the publication "Identifying light impurities in transition metal dichalcogenides: the local vibrational modes of S and O in ReSe2 and MoSe2". It contains shell scripts for running Quantum Espresso code and the original spectroscopic data in Origin Project (.opj) file format.Raman spectroscopy as described in the Methods section of the associated publication: https://researchportal.bath.ac.uk/en/publications/6ae96ef2-7f3f-4712-8cec-a622f6fcff11The Origin Project (.opj) files were created in Origin 2016, and may be viewed with the Origin Viewer application: https://www.originlab.com/.
The shell scripts require BASH, a Message Passing Interface (MPI) implementation, and Quantum Espresso (http://www.quantum-espresso.org/); some variables within the scripts hold path names that must be adjusted according to circumstance
Data for "An empirical assessment of sector-level exergy analysis"
No full textDetailed results relating to the study "An empirical assessment of sector-level exergy analysis": (i) Comparison of strength of relationship between energetic improvement potential and historic efficiency improvement in industrial sectors with strength of relationship between exergetic improvement potential and historic efficiency improvement; (ii) Comparison between exergy consumed directly by sectors and that embodied in their inputs; (iii) Comparison between exergy efficiency improvement and exergy productivity improvement of sectors.Additional details may be found within the file (Excel spreadsheet, "Notes" sheet) and within the associated paper: Cooper, S., Hammond, G. and Norman, J., 2017. An empirical assessment of sector level exergy analysis. Energy Procedia. Post-print available from https://researchportal.bath.ac.uk/en/publications/an-empirical-assessment-of-sector-level-exergy-analysi
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