Data mining for better material synthesis: The case of pulsed laser deposition of complex oxides

Steven R. Young, Artem Maksov, Maxim Ziatdinov, Ye Cao, Matthew Burch, Janakiraman Balachandran, Linglong Li, Suhas Somnath, Robert M. Patton, Sergei V. Kalinin, Rama K. Vasudevan

Research output: Contribution to journalArticlepeer-review

30 Scopus citations

Abstract

The pursuit of more advanced electronics, and finding solutions to energy needs often hinges upon the discovery and optimization of new functional materials. However, the discovery rate of these materials is alarmingly low. Much of the information that could drive this rate higher is scattered across tens of thousands of papers in the extant literature published over several decades but is not in an indexed form, and cannot be used in entirety without substantial effort. Many of these limitations can be circumvented if the experimentalist has access to systematized collections of prior experimental procedures and results. Here, we investigate the property-processing relationship during growth of oxide films by pulsed laser deposition. To do so, we develop an enabling software tool to (1) mine the literature of relevant papers for synthesis parameters and functional properties of previously studied materials, (2) enhance the accuracy of this mining through crowd sourcing approaches, (3) create a searchable repository that will be a community-wide resource enabling material scientists to leverage this information, and (4) provide through the Jupyter notebook platform, simple machine-learning-based analysis to learn the complex interactions between growth parameters and functional properties (all data/codes available on https://github.com/ORNL-DataMatls). The results allow visualization of growth windows, trends and outliers, which can serve as a template for analyzing the distribution of growth conditions, provide starting points for related compounds and act as a feedback for first-principles calculations. Such tools will comprise an integral part of the materials design schema in the coming decade.

Original languageEnglish
Article number115303
JournalJournal of Applied Physics
Volume123
Issue number11
DOIs
StatePublished - Mar 21 2018

Funding

We acknowledge fruitful discussions with H.-N. Lee (ORNL) and J.-C. Yang (National Cheng Kung University). This research was sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. Department of Energy (DOE). A portion of this research as sponsored by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division (S.V.K.). A portion of this research was conducted at the Center for Nanophase Materials Sciences, which is a U.S. DOE Office of Science User Facility. A.M. acknowledges fellowship support from the UT/ORNL Bredesen Center for Interdisciplinary Research and Graduate Education.

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