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The data include the following: 1. Simulation input files (parameters used in free energy Lattice Boltzmann simulations). 2. Results from these simulations and the corresponding analysis, as...
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...
Elastic constants were calculated by using the stress-strain method and density functional theory for crystals of different symmetry. A toolkit was developed to facilitate the input preparation and...
FWHM of coral skeletal samples from 7 coral genotypes cultured in an aquarium at seawater pCO2 of 180, 260, 400 and 750 µatm and at seawater temperature of 25 and 28 degrees C (39 samples total)....
The images in this dataset are a sample of Ketton carbonate from a micro-computed tomography (micro-CT) scan acquired with a voxel resolution of 4.52 µm. This dataset is part of a study on the...
This dataset contains VASP runs performed on ARCHER to calculate the electrical and thermal conductivities of pure iron and iron alloys at Earth's core conditions using density functional theory...
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...
The images in this dataset are a sample of Doddington Sandstone from a micro-computed tomography (micro-CT) scan acquired with a voxel resolution of 6.4µm. This dataset is part of a study on the...
The images in this dataset are a sample of Doddington Sandstone from a micro-computed tomography (micro-CT) scan acquired with a voxel resolution of 4.2µm. This dataset is part of a study on the...