From 1 - 10 / 39
  • Categories  

    These data files represent simulations of hydrated cation vacancies in the mantle mineral forsterite (Mg2SiO4) undertaken using the CASTEP atomic scale simulation code (http://www.castep.org/). Results from these simulations allow the structure relative stability of different defect configurations to be compared. Three types of cation vacancies are considered (M1, M2 and Si) each decorated by hydrogen in order to charge balance the system. For M1 and M2 this results in multiple configurations (with hydrogen bonded to different oxygen atoms around the vacant site). For Si there is only one configuration as all four oxygen atoms are bonded to hydrogen for the charge neutral defect. For each configuration input files detail the initial atomic structure of the defect along with simulation parameters. Output files record the progress of the simulation, the final atomic structure, the energy of this structure, and various predicted properties of the structure. Only ASCII output data is included as binary data created by CASTEP is not intended to be portable, and can easily be recreated using the ASCII files.

  • Categories  

    This data set contains example input and output files from density functional theory calculations of rare earth systems, using the Vienna Ab initio Simulation Package (VASP), The data set it split into two parts. The first data set contains the input and output files of molecular dynamics simulations of MCl3 in solution, where (M = Nd, Gd and Er) at ambient conditions, which was modelled at 341 K using the optB88 exchange-correlation functional. The calculations were run in order to investigate speciation in rare earth chloride solutions, including trends across the row, using a light (Nd), medium (Gd) and heavy (Er) rare earth. These particular calculations were used to validate classical interatomic potentials that were used to perform more complex simulation on larger systems and longer timescales. Only the first 2 ps of the trajectories are deposited here, since the complete trajectories are large. The second data set contains example input and output files for lattice dynamics calculations of the thermodynamics properties (heat capacity and entropy) of Nd-monazite and Nd-xenotime at ambient conditions up to 1200 K. In addition, it includes scripts for processing and plots of final results. These are useful for thermodynamical modelling of rare earth systems. Only the input and output files for Nd are deposited here, since the files are large and input files for Gd and Er are identical, save for the change in element.

  • Categories  

    These data consist of a spreadsheet containing 557 ground control points (GCPs) collected in the Everest region of Nepal between October 2015 and October 2016. GCPs were collected using a Leica GS10 differential Global Positioning System (dGPS), post-processed against base station data at Syangboche. These final data have sub-centimetre accuracy (in x, y and z) in all cases. Point positions are heavily concentrated around meltwater ponds on the glacier surface, and prominent features around the glacier margin. These data will be used by PhD students and staff in the School of Geography, University of Leeds, to provide ground control for fine-resolution satellite imagery and Structure-from-Motion surveys to assess mass loss processes on Khumbu Glacier.

  • Categories  

    This poster on the UKCCSRC Call 2 project, Investigating the radiative heat flux in small and large scale oxy-coal furnaces for CFD model development and system scale up, was presented at the Cranfield Biannual, 21.04.15. Grant number: UKCCSRC-C2-193.

  • Categories  

    Output from the FAMOUS General Circulation Model presented in the study by Dentith et al. (2018) "Ocean circulation drifts in multi-millennial climate simulations: the role of salinity corrections and climate feedbacks". The following ocean variables are included at model resolution (2.5 ° x 3.75 °): salinity, meridional overturning streamfunction, potential temperature, mixed layer depth, and barotropic streamfunction. Precipitation, evaporation and sea ice concentration data are also included at atmospheric resolution (5 ° x 7.5 °). All data has been processed into netCDF timeseries.

  • Categories  

    Data deposited are connected to paper "Investigating the use of 3-D full-waveform inversion to characterize the host rock at a geological disposal site" by H.L.M. Bentham, J.V. Morgan and D.A. Angus, in Geophysical Journal International, https://doi.org/10.1093/gji/ggy386. The geological model consists of fractured granite host rock (depth: 800 - 1200 m) with an Excavated disturbed Zone (EdZ) that could be formed through constructing the tunnels. In addition to the host rock, the model contains sedimentary overburden (depth: 0 - 800 m) and a fractured granite bed rock (depth: 1200 - 2000 m). Seismic velocities and rock properties were assigned through analogues e.g. Olkiluoto, Finland. Full data description and method found in Bentham et al. (2018). Data deposited are for Case 1 (no tunnels) and Case 3 (with multiple tunnels). For each case, the following 3D volumes are available: * Seismic data * True velocity model (used to generate seismic data) * Starting velocity model for full-waveform inversion Additionally, the following ASCII files are available to aid the use of the seismic and velocity models: * Locations of sources at surface (Case 1, 2 and 3 except where survey area is reduced [see GJI article]) * Locations of receivers at surface and below tunnels (Case 1, 2 and 3) * Locations of receiver at surface and above and below tunnels (Case 3 only)

  • Categories  

    This dataset contains 204 ascending and 300 descending Sentinel-1 geocoded unwrapped interferograms and coherence, and 70 ascending and 102 descending Re-sampled Single Look Complex (RSLC) images for each acquisition date. This data set also includes the original size Digital Elevation Model (DEM) used during InSAR processing. Data used by: Moore et al, 2019, “The 2017 Eruption of Erta 'Ale Volcano, Ethiopia: Insights into the Shallow Axial Plumbing System of an Incipient Mid-Ocean Ridge”.

  • Categories  

    This poster on the UKCCSRC Call 2 project, Novel Materials and Reforming Processing Route for the Production of Ready-Separated CO2/N2/H2 from Natural Gas Feedstocks, was presented at the Cardiff Biannual, 10.09.14. Grant number: UKCCSRC-C2-181.

  • Categories  

    Terrestrial laser scanning datasets (including GPS data for georeferencing), and field photographs collected during the 2016 Central Italian Earthquake sequence. Data were collected from multiple localities to capture the co- seismic near-fault deformation along the earthquake surface ruptures from the 30th Oct Norcia Earthquake. See the scan_data.xlsx for individual details of each laser scan location, and readme.txt for a complete description. In each scan site folder you can find the unprocessed raw files and processed ascii files. Field photographs taken at the site and in the aftermath of the 2016 Norcia Earthquake (30th October 2016, Mw6.6) are provided. Relevant references are: Wilkinson, MW, KJW McCaffrey, RR Jones, GP Roberts, RE Holdsworth, LC Gregory, RJ Walters, LNJ Wedmore, H Goodall, F Iezzi (2017). Near-field fault slip of the 2016 Vettore Mw 6.6 earthquake (Central Italy) measured using low-cost GNSS. Scientific Reports 7: 4612. Walters, RJ, LC Gregory, LNJ Wedmore, TJ Craig, K McCaffrey, M Wilkinson, J Chen, Z Li, JR Elliott, H Goodall, F Iezzi, F Livio, AM Michetti, G Roberts, E Vittori (2018). Dual control of fault intersections on stop-start rupture in the 2016 Central Italy seismic sequence. Earth and Planetary Science Letters 500, 1-14. Wedmore, LNJ, LC Gregory, KJW McCaffrey, H Goodall, RJ Walters (in review). Partitioned off-fault deformation in the 2016 Norcia earthquake captured by differential terrestrial laser scanning. Submitted to Geophysical Research Letters (directly related to this dataset). The dataset will also be available on opentopography.com once the above paper is accepted.

  • Categories  

    This poster on the UKCCSRC Call 2 project Novel Materials and Reforming Process Route for the Production of Ready-Separated CO2/N2/H2 from Natural Gas Feedstocks was presented at the CSLF Call project poster reception, London, 27.06.16. Grant number: UKCCSRC-C2-181. Large reserves of shale gas and unconventional gases worldwide will ensure that hydrogen remains produced mainly via the catalytic steam reforming process (C-SR) for the next few decades. In conventional C-SR, the most energy intensive step is the production of syngas (CO+H2) in the primary reformer which relies on fired heaters in large scale furnaces. SR plants need to be enormous in order to be economical due to syngas production stage and H2 purification steps.