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  • Open source modeling code, with which all data were generated: https://github.com/kuangdai/AxiSEM-3D This code was primarily developed within the NERC-funded project, and used for a at least 10 publications over the past two years: [1] Wolf, Long, Leng, Nissen-Meyer. Sensitivity of SK(K)S and ScS phases to heterogeneous anisotropy in the lowermost mantle from global wavefield simulations, 2021. GJI, 228, 366–386, https://doi.org/10.1093/gji/ggab347 [2] Krier, Thorne, Leng, Nissen-Meyer: A compositional component to the Samoa ultralow-velocity zone revealed through 2- and 3-D waveform modeling of SKS and SKKS differential travel-times and amplitudes, Journal of Geophysical Research. doi:10.1029/2021JB021897 [3] Thorne, M. S., Leng, K., Pachhai, S., Rost, S., Wicks, J., & Nissen-Meyer, T. (2021). The most parsimonious ultralow-velocity zone distribution from highly anomalous SPdKS waveforms. Geochemistry, Geophysics, Geosystems, 22, e2020GC009467. https://doi.org/10.1029/2020GC009467 [4] Haindl, Leng, Nissen-Meyer, 2021. A 3D Complexity-Adaptive Approach to Explore Sparsity in Visco-Elastic Wave Propagation, Geophysics, doi.org/10.1190/geo2020-0490.1 [5] Tesoniero, Leng, Long, Nissen-Meyer. Full wave sensitivity of SK(K)S phases to arbitrary anisotropy in the upper and lower mantle, Geophysical Journal International, 222, 412–435, https://doi.org/10.1093/gji/ggaa171 [6] Thorne, M.S.; Pachhai, S.; Leng, K.; Wicks, J.K.; Nissen-Meyer, T, 2020. New Candidate Ultralow-Velocity Zone Locations from Highly Anomalous SPdKS Waveforms. Minerals 2020, 10, 211. [7] Fernando, Leng, Nissen-Meyer, 2020. Oceanic high-frequency global seismic wave propagation with realistic bathymetry, Geophysical Journal International, 222, 1178–1194, https://doi.org/10.1093/gji/ggaa248 [8] Leng, Korenaga, Nissen-Meyer, 2020. Three-dimensional scattering of elastic waves by small-scale heterogeneities in the Earth’s mantle, Geophysical Journal International, 223, 1, 502–525, https://doi.org/10.1093/gji/ggaa331 [9] Szenicer, Leng, Nissen-Meyer, 2020. A complexity-driven framework for waveform tomography with discrete adjoints, Geophysical Journal International, https://doi.org/10.1093/gji/ggaa349 [10] Leng, Nissen-Meyer, van Driel, Hosseini, Al-Attar, 2019. AxiSEM3D: broad-band seismic wavefields in 3-D global earth models with undulating discontinuities, Geophysical J Int., 217, 2125–2146 Each of publications is based on the code mentioned above, and metadata for running the simulations of the papers are given therein, in a reproducible manner.

  • The aim of this project is to develop validated and computationally efficient shelter and escape models describing the consequences of a carbon dioxide (CO2) release from Carbon Capture and Storage (CCS) transport infrastructure to the surrounding population. The models will allow pipeline operators, regulators and standard setters to make informed and appropriate decisions regarding pipeline safety and emergency response. The primary objectives planned to achieve this aim are: 1.To produce an indoor shelter model, based on ventilation and air change theory, which will account for both wind and buoyancy driven CO2 ventilation into a building. The model will be capable of incorporating varying cloud heights, internal building divisions, internal and external temperature differences and impurities. 2.To create an external escape model that will determine the dosage received by an individual exposed to a cloud of CO2 outdoors. The model will be capable of incorporating multi-decision making by the individual in terms of the direction and speed of running, wind direction, the time taken to find shelter and the time required to make a decision, on becoming aware of the release. 3.To build a Computational Fluid Dynamics (CFD) model describing the effects of ingress of a CO2 cloud into a multicompartment building. 4.To validate the indoor shelter model and the CFD model against experimental test data for a CO2 release into a single compartment building. 5.To validate the indoor shelter model against further CO2 ingress scenarios modelled with CFD. 6.To conduct a sensitivity study using the shelter and escape models to calculate the dosage that an individual will be expected to receive under different conditions building height, window area, wind direction, temperature gradient, wind speed, atmospheric conditions, building size, running speed, direction of travel and reaction time. 7.To illustrate how the output from the models, in terms of dosage, can be used as input to Quantitative Risk Assessment (QRA) studies to determine safe distances between CO2 pipelines and population centres. 8.To demonstrate how the output from the models, in terms of dosage, can be used as input to the development of emergency response plans regarding the protection afforded by shelter and the likely concentrations remaining in a shelter after release. 9.To disseminate the findings of the research to relevant stakeholders through publication of academic journal papers as well as presentations at conferences, UKCCSRC meetings and relevant specialist workshops. Grant number: UKCCSRC-C2-179.

  • Carbon capture and storage in sub-seabed geological formations (sub-seabed CCS) is currently being studied as a realistic option to mitigate the accumulation of anthropogenic CO2 in the atmosphere. In implementing sub-seabed CCS, detecting and monitoring the impact of the sequestered CO2 on the ocean environment is highly important. The first controlled CO2 release experiment, Quantifying and Monitoring Potential Ecosystem Impacts of Geological Carbon Storage (QICS), took place in Ardmucknish Bay, Oban, in May–September 2012. We applied the in situ pH/pCO2 sensor to the QICS experiment for detection and monitoring of leaked CO2, and carried out several observations. The cabled real-time sensor was deployed close to the CO2 leakage (bubbling) area, and the fluctuations of in situ pH and pCO2 above the seafloor were monitored in a land-based container. The long-term sensor was placed on seafloor in three different observation zones. The sediment pH sensor was inserted into the sediment at a depth of 50 cm beneath the seafloor near the CO2 leakage area. Wide-area mapping surveys of pH and pCO2 in water column around the CO2 leakage area were carried out by using an autonomous underwater vehicle (AUV) installed with sensors. Atmospheric CO2 above the leakage area was observed by using a CO2 analyzer that was attached to the bow of ship of 50 cm above the sea-surface. The behavior of the leaked CO2 is highly dependent on the tidal periodicity (low tide or high tide) during the CO2 gas release period. At low tide, the pH in sediment and overlying seawater decreased due to strong eruption of CO2 gas bubbles, and the CO2 ascended to sea-surface quickly with a little dissolution to seawater and dispersed into the atmosphere. On the other hand, the CO2 bubbles release was lower at high tide due to higher water pressure, and slight low pH seawater and high atmospheric CO2 were detected. After stopping CO2 gas injection, no remarkable variations of pH in sediment and overlying water column were observed for three months. This is a publication in QICS Special Issue - International Journal of Greenhouse Gas Control, Kiminori Shitashima et. al. Doi: 10.1016/j.ijggc.2014.12.011.

  • Available methods for measuring the impact of ocean acidification (OA) and leakage from carbon capture and storage (CCS) on marine sedimentary pH profiles are unsuitable for replicated experimental setups. To overcome this issue, a novel optical sensor application is presented, using off-the-shelf optode technology (MOPP). The application is validated using microprofiling, during a CCS leakage experiment, where the impact and recovery from a high CO2 plume was investigated in two types of natural marine sediment. MOPP offered user-friendliness, speed of data acquisition, robustness to sediment type, and large sediment depth range. This ensemble of characteristics overcomes many of the challenges found with other pH measuring methods, in OA and CCS research. The impact varied greatly between sediment types, depending on baseline pH variability and sediment permeability. Sedimentary pH profile recovery was quick, with profiles close to control conditions 24 h after the cessation of the leak. However, variability of pH within the finer sediment was still apparent 4 days into the recovery phase. Habitat characteristics need therefore to be considered, to truly disentangle high CO2 perturbation impacts on benthic systems. Impacts on natural communities depend not only on the pH gradient caused by perturbation, but also on other processes that outlive the perturbation, adding complexity to recovery. This is a publication in QICS Special Issue - International Journal of Greenhouse Gas Control, Ana M. Queirós et. al. Doi:10.1016/j.ijggc.2014.10.004.

  • Data for NERC grant NE/L000660/1. This is the data supporting Fig. 4 of the publication: Ebigbo, A., Lang, P. S., Paluszny, A., and Zimmerman, R. W. (2016). Inclusion-based effective medium models for the permeability of a 3D fractured rock mass. Transport In Porous Media, DOI: 10.1007/s11242-016-0685-z. It contains numerically computed permeabilities for various realisations of fracture networks. There are six different cases (as explained in the paper).

  • This poster on the UKCCSRC Call 2 project, UK demonstration of Enhanced Calcium looping, and first Global Demonstration of Advanced Doping Techniques, was presented at the Cardiff Biannual, 10.09.14. Grant number: UKCCSRC-C2-209.

  • The aim of this proposal is to develop and validate a multi-phase flow model for simulating the highly transient flow phenomena taking place in the well-bore during start-up injection of CO2 mixtures into depleted gas fields. The objectives are to: 1.demonstrate the usefulness of the model developed based on its application to a real system as a test case; 2.use the findings in (1) to propose optimum injection strategies and develop Best Practice Guidelines for minimising the risks associated with the start-up injection of CO2 into depleted gas reservoirs. Grant number: UKCCSRC-C2-183.

  • Published paper from grant NE/I010734/1, Modeling the melting of multicomponent systems: the case of MgSiO3 perovskite under lower mantle conditions by Cono Di Paola and John P. Brodholt doi: 10.1038%2Fsrep29830 Two published papers from NERC grant NE/I010947/; Thomson et al AmMin 2014 Experimental Determination of Melting in the systems Enstatite-Magnesite and Magnesite-Calcite from 15 to 80 GPa http://dx.doi.org/10.2138/am.2014.4735 Lord et al EPSL 2014 The Melting Curve of Ni to 1 Mbar http://dx.doi.org/10.1016/j.epsl.2014.09.046 Grant Abstract: Melting in the Earth has a huge effect on its chemical and physical state. For instance, the chemistry of the crust, the mantle and the atmosphere are largely controlled by melting and crystalisation at mid-ocean ridges, hotspots or island arcs. There has, therefore, been an enormous effort in the last decades to understand these shallow melting processes. Yet much deeper melts may have been equally influential in the evolution of the Earth. For instance, it is generally accepted that a deep magma ocean perhaps extending to the Earth's centre, existed early its history. This was the result of multiple impacts as the Earth accreted. From this magma ocean, iron melts separated from silicate melts to form the core, volatiles degassed to form an early atmosphere, and a proto-crust may have formed. It is also accepted that the Earth was hit by a Mars-sized body to create the moon; this too would have caused enormous amounts of melting in the deep Earth. Moreover, there is some evidence for melting in the deep Earth now. It is possible, therefore, that melts in the deepest Earth have existed throughout Earth's history. However, many basic data on the physical and chemical properties of deep melting do not exist. For instance, we don't know the melting curves for mantle minerals and rocks at the pressure and temperatures of the deep Earth. We don't know which minerals crystalise from these melts first (the liquidus phases). We don't know the composition of partial melts of deep mantle rocks or rocks which have been subducted. We don't know the relative densities of the rocks and their melts, and so we do not even know whether minerals float of sink in these deep melts. This lack of data has led to much speculation on the effect of deep melts on the Earth's evolution. For instance, it has been suggested that geophysical and geochemical anomalies in the Earth's mantle have deep early melts as their origin. But these models depend of the chemical and physical properties of the melts and crystalline solids, properties that are simply not known. This project will use novel experiments in conjunction with ab initio modelling obtain these data. The data will provide the chemical and physical foundation on which all future models of the Earths early crystallization and subsequent evolution will be based.

  • Nanoscopic (50 < size < 150 nm) magnetic particles embedded within the unaltered interior of mineral crystals like zircons (ZrSiO 4 ) make ideal candidates to record the information about the earth's magnetic field (geodynamo). Information regarding the magnitude of the field can be obtained by measuring the natural remnant magnetization (NRM) of these carriers and further information on the approximate size range of the carriers can be obtained by carrying out thermal remnant magnetization measurements (TRM). However very little is known about the actual morphology and spatial distribution of these carriers in order to understand the fundamental parameters influencing paleomagnetic recording. We propose to image pristine zircons crystals with simple geological histories containing large remnant magnetization using ptychotomography in order to investigate the size, shape and spatial distribution of nano-paleomagnetic carriers. This would also give us an opportunity to fine tune the ptychotomographic setup at I13-coherence branch. This data package consists of 3D maps of Bishop Tuff Zircons, relatively young. The folders contain a stack of .tiff files which can be loaded into imagej, dragonfly, aviso for segmentation purposes.

  • Chemical composition of 18 ion adsorption deposits (lateritic soils) from Ambohimirahavavy alkaline province, North West Madagascar as part of NERC funded SoS RARE in 2016. Samples collected from pits at depths down to 6.5m below surface. Details of samples in dataset “Sample list for the SoS RARE project” (https://webapps.bgs.ac.uk/services/ngdc/accessions/index.html#item165705 ). Chemical composition of biological and chemical leachates from one Madagascan sample. Time series covers 60 days leaching during 2016 and results are in mg/kg of original material. Biological leaching agents: Aspergillus sp. And Bacillus sp. Inoculum and natural community and chemical leaching agent: ammonium sulphate. Details of experimental procedure in https://doi.org/10.3390/min8060236. Experiments conducted at the British Geological Survey to assess suitability of bioleaching as a more sustainable alternative to chemical leaching of rare earth elements from ion adsorption deposits.