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Log file and GSAS data files for synchrotron study of NaMnF3. Diffraction patterns from synchrotron experiments on NaMnF3. NERC grant: Understanding the D' zone: novel fluoride analogues to MgSiO3 post perovskite NERC grant abstract: The thermal boundary layers of a convecting system control many aspects of its style of convection and thermo-chemical history. For the silicate Earth these boundary layers are the lithosphere, whose low temperature and high rigidity induces slab-style downwellings, and the D' region on the mantle side of the core-mantle-boundary (CMB). The D' region is the source of plume-style convection and regulates heat exchange from the core to the silicate Earth. The lower thermal boundary is made more complex by the existance of a phase transition in the most common mineral in the lower mantle (magnesium-silicate perovskite) which changes the properties of the D' region at the CMB. Unfortunately, most of these properties cannot be measured at the extreme pressures (120 GPa) of stabilisation of the post-perovskite phase. The best chance of constraining them is through a combination of measurements on low-pressure analogue materials (which have the same crystal structure but a different chemical composition) and ab initio simulations of both the analogue and natural systems. We have recently developed a set of ABF3 analogues whose properties are much more similar to MgSiO3 than are those of the CaBO3 analogues currently in use. We propose, therefore, to use these improved fluoride analogues to determine the properties of post-perovskite which control the dynamics of D' (phase diagram, pressure-temperature-volume relations, viscosity, slip systems and thermal diffusivity). These measurements will allow models to be developed which accurately predict the behaviour of the lower thermal boundary layer of the mantle. This will place coinstraints on (1) the heat budget, dynamo power and start of crystallisation of the inner core, (2)the vigour of plumes, (3) the ratio of underside heating to internal heating in the mantle and, (4) the radioactive element budget of the silicate Earth.
The three-component data are downloaded from CDSN and processed with instrument response removed. The data coverages include sampling in the East Asia, southwest and northwest Pacific.
The two-phase modeling of water between liquid iron and silicate melt at 50 and 135 gigapascals (corresponding to 3500 and 4200 kelvin) was performed by using ab initio molecular dynamics implemented in the Vienna Ab Initio Simulation Package.
Input and output files from first-principles calculations to compute the lattice thermal conductivity, elastic properties, and phase stability of various lower mantle minerals. Spreadsheets of processing and final results. Article pre-prints.
Data files have .dat extension and can be opened with Notepad or any basic text editor software. Each file contains details of sample name, dimensions (length and diameter). All deformed samples were pre-prepared cylinders of synthetic neighbourite. Each file contains 11 data column as follows: Time (hours); Time (secs); CP (V); Vol (V); Force(V); Temp (V); Disp(V); Euro disp (mm); Furn T (mV); PoreP (mV); Furnace Power where V= Volts, mV= millivolts. The Calibration sheet (specific to the apparatus used) uploaded together with the data files is required to convert V and mV raw data into values of stress, strain, strain rate, confining pressure and temperature.
Os isotopes, highly siderophile element abundance measurements, lithophile trace element data, major element data, electron microprobe and LA-ICP-MS mineral chemistry of Cr-spinel and sulphide - all data for a suite of peridotites from the Shetland Ophiolite Complex, and published in O'Driscoll, B., Walker, R.J., Clay, P.L., Day, J.M.D., Ash, R.A. and Daly, J.S. 2018. Length-scales of chemical and isotopic heterogeneity in the mantle section of the Shetland Ophiolite Complex, Scotland. Earth and Planetary Science Letters, 488, 144-154 All samples come from a locality called The Viels, sampled within a 45 m2 area, on the island of Unst, Shetland Archipelago (UK) at HP64438 11060 (British National Grid)
This dataset holds the output of all the simulations in the Open Access article - Garel, F., S. Goes, D. R. Davies, J. H. Davies, S. C. Kramer, and C. R. Wilson, Interaction of subducted slabs with the mantle transition-zone: A regime diagram from 2-D thermo-mechanical models with a mobile trench and an overriding plate, Geochem. Geophys. Geosyst., 15, 1739-1765, doi 10.1002/2014GC005257, 2014.
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:  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  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  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  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  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  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.  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  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  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  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.
This data is described in section 6.4 of the following paper, Three-Field Block Preconditioners for Models of Coupled Magma/Mantle Dynamics by Rhebergen et al DOI:10.1137/14099718X
The data forms the basis of the paper Novella et al (2020 (https://doi.org/10.1016/j.epsl.2019.115973) and full interpretation can be found there. Basalt glass chips were supplied by Bramley Murton (Southampton) and the sample contexts are detailed in https://doi.org/10.1093/petrology/43.11.1987. New trace element data is provided for the clean basaltic glasses (all reported in ppm). The Vanadium isotope composition (del51V) is also reported for these chips. Uncertainties in these analyses are provided as 2-sigma. Updated estimates of the ferric iron content of these chips also provided, based on recalibration of the data reported by Shorttle et al 2015 (https://doi.org/10.1016/j.epsl.2015.07.017).