Research data infrastructure for high-throughput experimental materials science

Talley, Kevin R.; White, Robert; Wunder, Nick; Eash, Matthew; Schwarting, Marcus; Evenson, Dave; Perkins, John D.; Tumas, William; Munch, Kristin; Phillips, Caleb; Zakutayev, Andriy

doi:10.1016/j.patter.2021.100373

Title: Research data infrastructure for high-throughput experimental materials science

Journal Article · Wed Dec 01 00:00:00 EST 2021 · Patterns

DOI:https://doi.org/10.1016/j.patter.2021.100373· OSTI ID:1829939

Talley, Kevin R.; White, Robert; Wunder, Nick; Eash, Matthew; Schwarting, Marcus; Evenson, Dave; Perkins, John D.; Tumas, William;

; Phillips, Caleb;

The High-Throughput Experimental Materials Database (HTEM-DB, htem.nrel.gov) is a repository of inorganic thin-film materials data collected during combinatorial experiments at the National Renewable Energy Laboratory (NREL). This data asset is enabled by NREL's Research Data Infrastructure (RDI), a set of custom data tools that collect, process, and store experimental data and metadata. Here, we describe the experimental data flow from the RDI to the HTEM-DB to illustrate the strategies and best practices currently used for materials data at NREL. Integration of the data tools with experimental instruments establishes a data communication pipeline between experimental researchers and data scientists. This work motivates the creation of similar workflows at other institutions to aggregate valuable data and increase their usefulness for future machine learning studies. In turn, such data-driven studies can greatly accelerate the pace of discovery and design in the materials science domain.

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Research Organization:: National Renewable Energy Lab. (NREL), Golden, CO (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE); USDOE National Renewable Energy Laboratory (NREL), Laboratory Directed Research and Development (LDRD) Program

Grant/Contract Number:: AC36-08GO28308

OSTI ID:: 1829939

Alternate ID(s):: OSTI ID: 1832858

Report Number(s):: NREL/JA-5K00-80850; S266638992100235X; 100373; PII: S266638992100235X

Journal Information:: Patterns, Journal Name: Patterns Vol. 2 Journal Issue: 12; ISSN 2666-3899

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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