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3 results for “Material Properties Database”
Database for machine learning of hydrogen storage materials properties
<p><strong>Database for machine learning of hydrogen storage materials properties</strong></p> <p>Matthew Witman<sup>a</sup>, Mark Allendorf<sup>a</sup>, Vitalie Stavila<sup>a</sup></p> <p><sup>a</sup>Sandia National Laboratories, Livermore, CA</p> <p> </p> <p><strong>Description</strong></p> <p>This ML-HydPARK dataset provides a csv file of metal hydride compositions, capacities, and thermodynamic values that can be used as target properties for building, training, and testing machine learning models. It has been parsed and cleaned from the DOE’s original publicly available HydPARK database according to the procedure in [1] to make it more suitable for immediate use with data-driven models. Generally, this removed duplicate entries, removed entries missing critical data, and attempted to fix various entries with obvious errors in the data. It is continuously updated under version control as new metal alloy hydrides are published in the open literature. Most entries contain data on the enthalpy and entropy of the hydriding reaction, as well the maximum hydrogen capacity, for which compositional machine learning models can be trained [1,2].</p> <p> </p> <p><strong>Acknowledgements</strong></p> <p>The authors gratefully acknowledge research support from the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Fuel Cell Technologies Office through the Hydrogen Storage Materials Advanced Research Consortium (HyMARC). This work was supported by the Laboratory Directed Research and Development (LDRD) program at Sandia National Laboratories. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525. This paper describes objective technical results and analysis. Any subjective views or opinions that might be expressed in the paper do not necessarily represent the views of the U.S. Department of Energy<br> or the United States Government.</p> <p> </p> <p><strong>References</strong></p> <ol> <li>Witman, M.; Ling, S.; Grant, D. M.; Walker, G. S.; Agarwal, S.; Stavila, V.; Allendorf, M. D. Extracting an Empirical Intermetallic Hydride Design Principle from Limited Data via Interpretable Machine Learning. <em>J. Phys. Chem. Lett</em>. <strong>2020</strong>, 11, 40–47.</li> <li>Witman, M.; Ek, G.; Ling, S.; Chames, J.; Agarwal, S.; Wong, J.; Allendorf, M. D.; Sahlberg, M.; Stavila, V. Data-Driven Discovery and Synthesis of High Entropy Alloy Hydrides with Targeted Thermodynamic Stability. <em>Chem. Mater</em>. <strong>2021</strong>, 33, 4067–4076.</li> </ol> <p> </p> <p><strong>Contact</strong></p> <p>Please email <a href="mailto:mwitman@sandia.gov">mwitman@sandia.gov</a> , <a href="mailto:mdallen@sandia.gov">mdallen@sandia.gov</a>, or <a href="mailto:vnstavi@sandia.gov">vnstavi@sandia.gov</a> for questions or to request addition of recent data from the literature to this dataset.</p>
Material Property Database of Organic Liquids, Ices, and Hazes on Titan
<p>Titan has a diverse range of materials in its atmosphere and on its surface: the simple organics that reside in various phases (gas, liquid, ice) and the solid complex refractory organics that form Titan's haze layers. These materials all actively participate in various physical processes on Titan, and many material properties are found to be important in shaping these processes. Future in-situ exploration on Titan would likely encounter a range of materials, and a comprehensive database to archive the material properties of all possible material candidates will be needed.</p> <p>Here we archive several important material properties of the organic liquids, ices, and the refractory hazes on Titan that are available in the literature and/or that we have computed. These properties include thermodynamic properties (phase change points, sublimation and vaporization saturation vapor pressure, and latent heat), physical property (density), and surface properties (liquid surface tensions and solid surface energies).</p> <p>We have archived all the data involved in our first paper (https://arxiv.org/abs/2210.01394 for the Arxiv version and https://doi.org/10.3847/1538-4365/acc6cf for the publisher version) here to make them available to the science community. These data can be used as inputs for various theoretical models to interpret current and future remote sensing and in-situ atmospheric and surface measurements on Titan. The material properties of the simple organics may also be applicable to giant planets and icy bodies in the outer solar system, interstellar medium, and protoplanetary disks.</p> <p>The "Summary of Data Tables and Jupyter Notebook Files" summarizes the names of all the data files (.csv) and Jupyter Notebook files (.ipynb) and their corresponding Tables in the paper.</p> <p><strong>Please cite our paper in your use of the data: Yu et al. (2023), https://doi.org/10.3847/1538-4365/acc6cf</strong></p> <p><strong>Yu, X., Yu, Y., Garver, J., Li, J., Hawthorn, A., Sciamma-O’Brien, E., ... & Barth, E. (2023). Material Properties of Organic Liquids, Ices, and Hazes on Titan. The Astrophysical Journal Supplement Series, 266(2), 30.</strong></p>
GEOLAB Material Properties Database
<p>The document contains the comprehensive ‘one-stop’ material properties database developed by the GEOLAB consortium for the typical soils and constitutive models used in the GEOLAB facilities. The said database was developed to support the use and re-use of the quality experimental data from the GEOLAB Transnational Access projects.</p>
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