Proceedings of a Workshop
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This activity was supported by Grant No. 2028849 with the National Science Foundation and DE-SC0020408 with the U.S. Department of Energy. Any opinions, findings, conclusions, or recommendations expressed in this publication do not necessarily reflect the views of any organization or agency that provided support for the project.
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Suggested citation: National Academies of Sciences, Engineering, and Medicine. 2023. Frontiers in Data Analytics and Monitoring Tools for Extreme Materials: Proceedings of a Workshop. Washington, DC: The National Academies Press. https://doi.org/10.17226/26983.
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FRONTIERS IN DATA ANALYTICS AND MONITORING TOOLS FOR EXTREME MATERIALS PLANNING COMMITTEE
OLIVIA A. GRAEVE, University of California, San Diego, Chair
STEFANO CURTAROLO, Duke University
KARIN DAHMEN, University of Illinois at Urbana-Champaign
ALISDAIR RICHARD DAVEY, National Solar Observatory
SARYU JINDAL FENSIN, Los Alamos National Laboratory
ANDREW MURPHY MINOR, University of California, Berkeley
ANDRES MUNOZ-JARAMILLO, Southwest Research Institute
Staff
NEERAJ P. GORKHALY, Associate Program Officer, Study Director
CHRISTOPHER JONES, Senior Program Officer
AMISHA JINANDRA, Associate Program Officer
LINDA WALKER, Program Coordinator
COLLEEN N. HARTMAN, Director
CONDENSED MATTER AND MATERIALS RESEARCH COMMITTEE
TOM WITTEN, University of Chicago, Chair (until July 2023)
LESLIE MOMODA, HRL Laboratories, Chair (from July 2023)
RAYMUNDO ARROYAVE, Texas A&M University
MARIA K. CHAN, Argonne National Laboratory (from September 2023)
OLIVIA A. GRAEVE, University of California, San Diego (until July 2023)
SAMSON A. JENEKHE (NAE), University of Washington
ANTHONY KU, National Institute of Clean and Low-Carbon Energy (until July 2023)
M. LISA MANNING, Syracuse University
CHARLES MARCUS (NAS), University of Copenhagen, Denmark
NADYA MASON (NAS), University of Illinois at Urbana-Champaign
JAGDISH NARAYAN (NAE), North Carolina State University
MONICA OLVERA DE LA CRUZ (NAS), Northwestern University
ANA MARIA REY AYALA (NAS), University of Colorado (until July 2023)
JILL E. SEEBERGH, The Boeing Company
SUBHASH C. SINGHAL (NAE), Pacific Northwest National Laboratory (retired) (from September 2023)
VICTOR R. VASQUEZ, University of Nevada, Reno (from September 2023)
STEVEN J. ZINKLE (NAE), University of Tennessee, Knoxville
Staff
CHRISTOPHER JONES, Senior Program Officer, Committee Director
NEERAJ P. GORKHALY, Associate Program Officer (until August 2023)
AMISHA JINANDRA, Associate Program Officer (until August 2023)
LINDA WALKER, Program Coordinator
COLLEEN N. HARTMAN, Director
BOARD ON PHYSICS AND ASTRONOMY
ANDREW LANKFORD, University of California, Irvine, Chair (until November 2023)
JILL DAHLBURG, Naval Research Laboratory, Chair (from November 2023)
MEIGEN ARONSON, University of British Columbia
WILLIAM BIALEK (NAS), Princeton University
SALLY DAWSON, Brookhaven National Laboratory
LOUIS DIMAURO, The Ohio State University
CHUNG-PEI MA (NAS), University of California, Berkeley
ANDREW J. MILLIS (NAS), Columbia University
ANGELA VILLELA OLINTO (NAS), University of Chicago
DAVID REITZE, California Institute of Technology
SUNIL SINHA, University of California, San Diego
EDWARD E. THOMAS, JR., Auburn University
RISA H. WECHSLER, Kavli Institute for Particle Astrophysics and Cosmology
WILLIAM A. ZAJC, Columbia University
Staff
COLLEEN N. HARTMAN, Director
CHRISTOPHER JONES, Senior Program Officer
NEERAJ P. GORKHALY, Associate Program Officer
AMISHA JINANDRA, Associate Program Officer
LINDA WALKER, Program Coordinator
RADAKA LIGHTFOOT, Financial Associate (until March 2023)
DONALD SHAPERO, Senior Scholar
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Reviewers
This Proceedings of a Workshop was reviewed in draft form by individuals chosen for their diverse perspectives and technical expertise. The purpose of this independent review is to provide candid and critical comments that will assist the National Academies of Sciences, Engineering, and Medicine in making each published proceedings as sound as possible and to ensure that it meets the institutional standards for quality, objectivity, evidence, and responsiveness to the charge. The review comments and draft manuscript remain confidential to protect the integrity of the process.
We thank the following individuals for their review of this proceedings:
Although the reviewers listed above provided many constructive comments and suggestions, they were not asked to endorse the content of the proceedings nor did they see the final draft before its release. The review of this proceedings was overseen by PETER B. LITTLEWOOD, University of Chicago. He was responsible for making certain that an independent examination of this proceedings was carried out in accordance with standards of the National Academies and that all review comments were carefully considered. Responsibility for the final content rests entirely with the rapporteur and the National Academies.
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Contents
Finding Thermally Robust Superhard Materials with Machine Learning
New Materials at High Pressure
Machine Learning Tools for Extending Quantum Simulations of Reacting Materials
The Impact of Well-Curated Data Sets
Ultra-High-Temperature Ceramic Phases and Compositional Complexity
Fundamental Mechanisms Under Extreme Environments and the Role of Machine Learning
Designing Extreme Materials at Scale with Machine Learning
Benchmarking Machine Learning Modeling Approaches
Advanced Materials and Manufacturing Techniques for Various Applications
Thermochemical Stability of Materials in Extreme Environments
Thermo-Mechanical Testing and Characterization in Extreme Environments
Status and Gaps in Thermodynamic Metrology of Materials in Extreme Environments
Tabletop Hypervelocity Launcher for Studying Extreme Materials
Where Are the Atoms?: Toward Real-Time Inversion of Characterization Data
Understanding Dynamics Over Large Length Scales
Putting Machine Learning into Practice
The Use of Artificial Intelligence at the Advanced Photon Source
Indirectly Tracking Point Defect Accumulation and Transport in Ceramics
Novel Capabilities for Studying Irradiated Materials