Lithium Ions Flow Through Solid Material

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Using the ALCF’s Mira supercomputer, the team modeled the dynamics of the system to predict what pathways the lithium ions could take through the nickelate.

“Computing the pathways was an important complement to the rest of the research because it helps to explain the behavior we observed,” said Sankaranarayanan. ​“We can use this knowledge to recreate and control these effects in other materials.”

The scientists plan to study other materials that may display similar properties to identify other ions that samarium nickelate can conduct.

Other Argonne authors include Badri Narayanan, Mathew Cherukara, Yongqi Dong, Ronghui Kou and Cheng-Jun Sun. Argonne’s portion of the research was funded by the Office of Science, National Science Foundation and the Air Force Office of Scientific Research.

About Argonne’s Center for Nanoscale Materials

The Center for Nanoscale Materials is one of the five DOE Nanoscale Science Research Centers, premier national user facilities for interdisciplinary research at the nanoscale supported by the DOE Office of Science. Together the NSRCs comprise a suite of complementary facilities that provide researchers with state-of-the-art capabilities to fabricate, process, characterize and model nanoscale materials, and constitute the largest infrastructure investment of the National Nanotechnology Initiative. The NSRCs are located at DOE’s Argonne, Brookhaven, Lawrence Berkeley, Oak Ridge, Sandia and Los Alamos National Laboratories.

About Argonne National Laboratory

Argonne National Laboratory seeks solutions to pressing national problems in science and technology. The nation’s first national laboratory, Argonne conducts leading-edge basic and applied scientific research in virtually every scientific discipline. Argonne researchers work closely with researchers from hundreds of companies, universities, and federal, state and municipal agencies to help them solve their specific problems, advance America’s scientific leadership and prepare the nation for a better future. With employees from more than 60 nations, Argonne is managed by UChicago Argonne, LLC for the U.S. Department of Energy’s Office of Science.

About The U.S. Department of Energy’s Office of Science

The U.S. Department of Energy’s Office of Science is the single largest supporter of basic research in the physical sciences in the United States and is working to address some of the most pressing challenges of our time.

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