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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 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).
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 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.
Coordinated by Haroun Mahgerefteh at UCL, the EC funded FP7 CO2QUEST project addressed the main challenges associated with determining the optimal composition and purity of CO2 product streams derived from carbon capture systems for enabling its safe and economic transport and storage. The project brought together academics and major stakeholders to perform computational studies backed-up by large-scale experiments aimed at identifying CO2 mixtures that have the most profound impact on the different parts of the CCS chain. The project ran from March 2013 until June 2016, involving 9 partners across Europe, including from Canada and China. It resulted in over 100 peer reviewed journal publications and conference proceedings, three international conferences and several newsletters, receiving the IChemE Highly Commended Global Process Safety Award in 2016. More information about CO2QUEST including its objectives, deliverables and list of publications may be found at: http://www.co2quest.eu/
The download .rar file contains a groundwater model of the coastal aquifer in Kwale County, Kenya (ModelMuse Text File) produced by Dr Nuria Ferrer and Dr Albert Folch at the Universitat Politècnica de Catalunya. The model can be used to explore future climate and groundwater abstraction scenarios to provide management recommendations. The download does not include proprietary abstraction data from industry project partners, thus running the model provided here will not reproduce published research findings. The file named”np67IH.bhd” are the initial heads file required to run the model.
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
General circulation model (HadCM3) output of the study by Matero et al. (2017) “The 8.2 ka cooling event caused by Laurentide ice saddle collapse. Data has been processed into netCDF4 - timeseries, and includes the following variables at model resolution: ocean temperature, ocean salinity, precipitation, air temperature at 2m height, depth of the oceanic mixed layer, sea ice concentration and meridional overturning circulation strength. The atmosphere component of the model has a horizontal resolution of 2.5° x 3.75° with 19 unevenly spaced vertical layers. The ocean component has a horizontal resolution of 1.25° x 1.25° with 20 unevenly spaced vertical layers. For more information see published paper, https://doi.org/10.1016/j.epsl.2017.06.011
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 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.