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Suggested Citation:"1 Introduction." National Academies of Sciences, Engineering, and Medicine. 2021. Data Analytics and What It Means to the Materials Community: Proceedings of a Workshop. Washington, DC: The National Academies Press. doi: 10.17226/25628.
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1

Introduction

Big data and data analytics tools have revolutionized opportunities for discovery and innovation. The 2013 National Research Council (NRC) report Frontiers in Massive Data Analysis noted that “experiments, observations, and numerical simulations in many areas of science and business are currently generating terabytes of data, and in some cases are on the verge of generating petabytes and beyond. Analyses of the information contained in these data sets have already led to major breakthroughs in fields ranging from genomics to astronomy and high-energy physics and to the development of new information-based industries.”1

Traditionally, materials scientists have used a deterministic approach to uncover mechanisms of observed behavior and make predictions. How can data informatics be applied to address materials research challenges? Can analyzing huge data sets help researchers discover unexpected correlations and relationships in materials processes, structure, and properties? How might insights generated with these analytical techniques dovetail with experimentation?

The National Academies of Sciences, Engineering, and Medicine hosted the Workshop on Data Analytics and What It Means to the Materials Community as part of a workshop series on Defense Materials, Manufacturing, and Its Infrastructure (DMMI). The DMMI Standing Committee organizes events exploring issues regarding materials, manufacturing, and infrastructural activities relevant to military personnel, platforms, and facilities, as well as the manufacturing and

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1 National Research Council, 2013, Frontiers in Massive Data Analysis, The National Academies Press, Washington, DC, https://doi.org/10.17226/18374.

Suggested Citation:"1 Introduction." National Academies of Sciences, Engineering, and Medicine. 2021. Data Analytics and What It Means to the Materials Community: Proceedings of a Workshop. Washington, DC: The National Academies Press. doi: 10.17226/25628.
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industrial base for both the military and commercial sector (see Appendix A, “Statement of Task”). Addressing these issues is important to maintaining U.S. technological superiority; creating energy-efficient, high-performance, and sustainable platforms; ensuring a safe, healthy, and energy-efficient infrastructure; securing the safety of facilities and ports; and supporting the processes that provide our defense materials, parts, and products. Although the workshops assess these issues through a defense lens, informed approaches in these areas will also support the nation’s broader goals related to technological leadership, safety, infrastructure, and a robust manufacturing sector.

The workshop was held on July 16-17, 2019, in Washington, D.C. (see Appendix B, “Workshop Agenda”). The event brought together approximately 81 speakers and attendees representing data science, materials science, and manufacturing experts from industry, academia, and government agencies (see Appendix C, “Workshop Attendee List.” and Appendix D, “Planning Committee Biographical Information”). Haydn Wadley, University of Virginia, served as workshop chair.

In welcoming remarks, Wadley outlined the workshop’s goal to explore developments in data analytics, how those techniques are being applied in materials design and manufacturing, and potential future directions for the field. The 2-day workshop was organized around three main topics: materials design, data curation, and emerging applications. Speakers, panelists, and attendees highlighted recent research achievements, discussed ongoing efforts by various consortia and institutions to advance data analytics for materials design and development, and considered key challenges and opportunities in this space.

The workshop was unclassified and open to the public. This report offers a condensed summary of the proceedings based on recordings, slides, and transcripts from the workshop.

Suggested Citation:"1 Introduction." National Academies of Sciences, Engineering, and Medicine. 2021. Data Analytics and What It Means to the Materials Community: Proceedings of a Workshop. Washington, DC: The National Academies Press. doi: 10.17226/25628.
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Page 3
Suggested Citation:"1 Introduction." National Academies of Sciences, Engineering, and Medicine. 2021. Data Analytics and What It Means to the Materials Community: Proceedings of a Workshop. Washington, DC: The National Academies Press. doi: 10.17226/25628.
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Emerging techniques in data analytics, including machine learning and artificial intelligence, offer exciting opportunities for advancing scientific discovery and innovation in materials science. Vast repositories of experimental data and sophisticated simulations are being utilized to predict material properties, design and test new compositions, and accelerate nearly every facet of traditional materials science. How can the materials science community take advantage of these opportunities while avoiding potential pitfalls? What roadblocks may impede progress in the coming years, and how might they be addressed?

To explore these issues, the Workshop on Data Analytics and What It Means to the Materials Community was organized as part of a workshop series on Defense Materials, Manufacturing, and Its Infrastructure. Hosted by the National Academies of Sciences, Engineering, and Medicine, the 2-day workshop was organized around three main topics: materials design, data curation, and emerging applications. Speakers identified promising data analytics tools and their achievements to date, as well as key challenges related to dealing with sparse data and filling data gaps; decisions around data storage, retention, and sharing; and the need to access, combine, and use data from disparate sources. Participants discussed the complementary roles of simulation and experimentation and explored the many opportunities for data informatics to increase the efficiency of materials discovery, design, and testing by reducing the amount of experimentation required. With an eye toward the ultimate goal of enabling applications, attendees considered how to ensure that the benefits of data analytics tools carry through the entire materials development process, from exploration to validation, manufacturing, and use. This publication summarizes the presentations and discussion of the workshop.

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