Abstract

The Materials Genome Initiative, a national effort to introduce new materials into the market faster and at lower cost, has made significant progress in computational simulation and modeling of materials. To build on this progress, a large amount of experimental data for validating these models, and informing more sophisticated ones, will be required. High-throughput experimentation generates large volumes of experimental data using combinatorial materials synthesis and rapid measurement techniques, making it an ideal experimental complement to bring the Materials Genome Initiative vision to fruition. This paper reviews the state-of-the-art results, opportunities, and challenges in high-throughput experimentation for materials design. A major conclusion is that an effort to deploy a federated network of high-throughput experimental (synthesis and characterization) tools, which are integrated with a modern materials data infrastructure, is needed.

Highlights

  • Today’s global challenges, e.g., advanced manufacturing, dependence on critical raw materials, and climate change, underscore the urgent need for novel materials solutions (Table I)

  • Screening has addressed materials interactions through the fabrication of combinatorial PV device libraries with intentional composition and thickness gradients in one layer of a multi-layer stack (Fig. 1(b))

  • The discovery of heterogeneous catalysts requires particular implementations of HTE strategies for establishing structure-property relationships; while materials properties such as band gap energy and superconducting critical temperature correspond to a particular composition and crystal structure, mixed-phase materials can enable new reaction pathways in catalysis due to effects such as spillover and catalyst-support interactions

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Summary

INTRODUCTION

Today’s global challenges, e.g., advanced manufacturing, dependence on critical raw materials, and climate change, underscore the urgent need for novel materials solutions (Table I).

Reliably available catalysts and permanent magnets
Government support
Discover and explore microporous and mesoporous materials
Microelectronic materials
Sustainable alloys for vehicular applications
CHALLENGES FOR HTE
Data curation and analysis and databases
Distributed experimental tools and data platforms
Lawrence Berkeley National Laboratory
Springer Nature Elsevier
Educational component
PATH FORWARD

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