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Simulation

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  • The folders contain the inputs required to run numerical simulations of the Anak Krakatau eruption in 2018, including ERA wind field data, and model input files (.bak). Two sets of simulations were used. The first set of simulations were inversions (see inversion file), which allows input parameters to be estimated through application of numerical model to observations. Multiple inversions were used accounting for different amounts of water entrained at the source (Fractions of 0 - 0.25 in 0.05 intervals). The best fit input parameters were used to run the forward model (see ForwardModel folder), and the results were compared to asses those most representative of observed eruption dynamics (Sim6).

  • This dataset contains data from two publications investigating mackinawite FeS in an aqueous environment. The first includes the derivation and validation of the force field parameters necessary to model the system (http://link.springer.com/article/10.1007/s00214-015-1782-8). In the second publication, the force field is employed to predict the structural and dynamical properties of water at the interface with the (001) surface of mackinawite (http://scitation.aip.org/content/aip/journal/jcp/144/9/10.1063/1.4942755).

  • The two earthquake scenario narratives are communications tools created to engage the local population and policy makers in Weinan city. They will be uploaded on the Overseas Development Institute website and be publicly accessible.

  • A Multiphysics model for a molten carbonate fuel cell (MCFC) developed in COMSOL. This is a multiphysics model for a MCFC. It has been built using COMSOL Multiphysics®. It enables the user to investigate the composition of the fuel and flue gases as well as the design parameters (e.g. the thickness of the electrolyte) on the performance of the fuel cell and the efficiency of CO2 capture. For example, the impact of CO2 concentration in the flue gas on the fuel cell performance and the carbon capture factor (which is a measure on how much CO2 has been concentrated from the flue gas) could be evaluated. One of the key findings show that the fuel cell performance improves and the carbon capture factor decreases with increasing CO2 in the flue gas. A process model for liquid fuel production through reverse water gas shift (RWGS) and Fischer-Tropsch (FT) developed in Aspen Plus. The model enables the user to examine the production of liquid fuels through CO2 hydrogenation followed by FT synthesis. The user can test different conditions for the RWGS such as H2/CO2 ratio and temperature and investigate how these changes affect the CO2 conversion. The product distribution for the FT follows the Anderson–Schulz–Flory (ASF) distribution. The ASF model is applied in a FORTRAN calculator and assumes a chain growth probability factor (α) of 0.9; the user may change the value of α and investigate how this affects the product distribution. A CO2 compression model developed in Aspen Plus. The model liquefies the captured CO2 stream through multistage compression with intermediate cooling and water condensation/removal. UKCCSRC Flexible Funds 2020.

  • Microgravity data collected at Uturuncu Volcano located in the Altiplano-Puna Volcanic Complex, central Andes, in November 2022. Raw data collected along a survey line spanning from Laguna Colorada to Laguna Verde using a field gravimeter. All data have been preprocessed and corrected for tidal and drift effects. Data are reported with respect to reference station UBAS located to the west of Uturuncu near the Laguna Colorada.

  • This excel spreadsheet contains P-wave and S-wave velocity and attenuation data calculated with a novel rock physics model for hydrate bearing sediments. The model has been published in: Marín-Moreno, H., S. K. Sahoo, and A. I. Best (2017), Theoretical modeling insights into elastic wave attenuation mechanisms in marine sediments with pore-filling methane hydrate, Journal of Geophysical Research: Solid Earth, 122(3), 1835-1847, doi:10.1002/2016JB013577.

  • A new family of spherical harmonic geomagnetic field models spanning the past 9000 yr based on magnetic field directions and intensity stored in archaeological artefacts, igneous rocks and sediment records. The pfm9k geomagnetic field models and datafiles as well as the individual bootstraps of the pfm9k.1b geomagnetic field model presented in A. Nilsson, R. Holme, M. Korte, N. Suttie and M. Hill (2014): Reconstructing Holocene geomagnetic field variation: new methods, models and implications. Geophys. J. Int., doi: 10.1093/gji/ggu120 are included here.

  • These data show images recorded using a variety of methods of a model system of bacterial metal reduction. In all cases the bacteria grew from a pure culture of Geobacter sulfurreducens, and grew undisturbed on thin films of amorphous Fe oxyhydroxide – ferrihydrite. The different imaging methodologies have highlighted different features of this interaction. AFM shows the surface texture of the bacteria and ferrihydrite films; epifluorescence was used to allow counting of the cells at different time points from 0 to 12 days post inoculation (cell counts available in excel spreadsheet); and confocal imaging allow visualisation of the redox patterns surrounding cells and to identify areas of bioreduced Fe(II) (quantification of Fe(II) available in excel spreadsheet). The following data is included: 1. 9 x AFM images of Geobacter sulfurreducens bacteria growing on ferrihydrite films 2. 5 x epifluorescence images of Geobacter sulfurreducens bacteria growing on ferrihydrite films over time 3. spreadsheet bacterial counts associated with epifluorescence images 4. 7 x confocal images of Geobacter sulfurreducens bacteria growing on ferrihydrite films with redox green staining of appendages 5. 5 x example confocal images of Geobacter sulfurreducens bacteria growing on ferrihydrite films with Fe(II) highlighted by RhoNox-1 6. Spreadsheet of quanitfication of RhoNox intensity against bacteria and Fe co-location Data is presented which shows the formation of precious metal nanoparticles on the surface of geobacter sulfurreducens cells. The images were produced by CryoTEM. Full details of the experiment are available in this publication http://onlinelibrary.wiley.com/doi/10.1002/ppsc.201600073/full 7. Powerpoint presentation of TEM images of precious metal nanoparticles formed on the surface of Geobacter cells

  • These data represent a massive synchrotron based programme to study ancient life. Not all of these data have been processed yet, nor have we published all of the results that we intend to. These data are still very much a work in progress. NERC grant abstract: Building on our previous successes with identifying and mapping the chemical residues of eumelanin and beta keratin, herein we propose an analytical and experimental plan to enhance our ability to detect and image key components of soft tissue. First of all we will perform a series of experiments with extant soft tissue so that we can monitor and determine the breakdown reactions of organic compounds as a function of host lithology, moisture content, and trace metal inventory. Secondly, we will complete an analytical programme, including SRS-XRF imaging, which will include these experimental run products as well as a series of time-stepped fossil samples of varying ages and host lithology so that we may build up a database which allows us to refine our general understanding of reaction paths during fossil degradation. Because the techniques we have developed are non-destructive we now have opened up the possibility for detailed analysis of extremely rare specimens which hold important information but cannot be destructively sampled. Finally, these experimental and analytical results from fossils and comparable extant species will be combined in order to answer several critically important questions in palaeontology, biology, and geochemistry. Project partners: University of Nancy, CNRS, Prof. R. Michels Feather degradation experiments SLAC Linear Accelerator Center, Linac Coherent Light Source, Dr. U. Bergmann SRS-XRF scans of large objects and x-ray spectroscopy SLAC Linear Accelerator Center, Stanford Synchrotron Radiation Lightsource, Prof. C. Kao SRS-XRF scans of large objects DIAMOND Lightsource, Prof. Fred Mosselmans XAS spectroscopy.

  • This dataset consists of reconstructions of daily groundwater levels for eight boreholes in Burkina Faso. Data for each borehole is provided in an individual csv file, with reconstructed groundwater level time series reported in metres above sea level (GWL, mASL). The groundwater level reconstructions were derived in 2019 as a part of the BRAVE project (NE/M008827/1 and NE/M008983/1) to develop an improved understanding of temporal variability in groundwater levels in sub-Saharan Africa. The reconstructions were derived using the lumped conceptual groundwater model AquiMod. Observed groundwater level time series for the eight boreholes were modelled using AquiMod, and the calibrated models were used with historic precipitation and potential evapotranspiration data to derive the reconstructions. The length of the time series of reconstructed groundwater levels varies between the boreholes due to differences in the length of the precipitation time series used to derive the reconstructions. Full details of this dataset are reported by Ascott et al. (2020). Ascott, M.J., Macdonald, D.M.J., Black, E., Verhoef, A., Nakohoun, P., Tirogo, J., Sandwidi, W.J.P., Bliefernicht, J., Sorensen, J.P.R., Bossa, A.Y., 2020. In Situ Observations and Lumped Parameter Model Reconstructions Reveal Intra-Annual to Multidecadal Variability in Groundwater Levels in Sub-Saharan Africa. Water Resour. Res., 56(12): e2020WR028056. DOI:https://doi.org/10.1029/2020WR028056