Autonomous x-ray scattering

Yager, Kevin G.; Majewski, Pawel W.; Noack, Marcus M.; Fukuto, Masafumi

doi:10.1088/1361-6528/acd25a

Title: Autonomous x-ray scattering

Journal Article · Mon May 22 00:00:00 EDT 2023 · Nanotechnology

DOI:https://doi.org/10.1088/1361-6528/acd25a· OSTI ID:1986320

^[1];

^[2];

^[3]; Fukuto, Masafumi ^[1]

Brookhaven National Laboratory (BNL), Upton, NY (United States)
University of Warsaw (Poland)
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Autonomous experimentation (AE) is an emerging paradigm that seeks to automate the entire workflow of an experiment, including—crucially—the decision-making step. Beyond mere automation and efficiency, AE aims to liberate scientists to tackle more challenging and complex problems. We describe our recent progress in the application of this concept at synchrotron x-ray scattering beamlines. We automate the measurement instrument, data analysis, and decision-making, and couple them into an autonomous loop. We exploit Gaussian process modeling to compute a surrogate model and associated uncertainty for the experimental problem, and define an objective function exploiting these. We provide example applications of AE to x-ray scattering, including imaging of samples, exploration of physical spaces through combinatorial methods, and coupling to in situ processing platforms These uses demonstrate how autonomous x-ray scattering can enhance efficiency, and discover new materials.

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Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR); USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0012704; AC02-05CH11231

OSTI ID:: 1986320

Report Number(s):: BNL-224536-2023-JAAM

Journal Information:: Nanotechnology, Vol. 34, Issue 32; ISSN 0957-4484

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

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