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Researchers used Frontier, the world’s first exascale supercomputer, to simulate a magnesium system of nearly 75,000 atoms and the National Energy Research Computing Center’s Perlmutter supercomputer to simulate a quasicrystal structure, above, in a ytterbium-cadmium alloy. Credit: Vikram Gavini

Researchers used the world’s first exascale supercomputer to run one of the largest simulations of an alloy ever and achieve near-quantum accuracy.

Rigoberto Advincula

Rigoberto Advincula, a renowned scientist at ORNL and professor of Chemical and Biomolecular Engineering at the University of Tennessee, has won the Netzsch North American Thermal Analysis Society Fellows Award for 2023.

Ashley Barker. Credit: Carlos Jones/ORNL

At the National Center for Computational Sciences, Ashley Barker enjoys one of the least complicated–sounding job titles at ORNL: section head of operations. But within that seemingly ordinary designation lurks a multitude of demanding roles as she oversees the complete user experience for NCCS computer systems.

Xiao-Ying Yu

Xiao-Ying Yu, a distinguished scientist in the Materials Science and Technology Division of the Department of Energy’s Oak Ridge National Laboratory, has recently been chosen for several prominent editorial roles.

Researchers at Oak Ridge National Laboratory discovered a tug-of-war strategy to enhance chemical separations needed to recover critical materials. Credit: Alex Ivanov/ORNL, U.S. Dept. of Energy

ORNL scientists combined two ligands, or metal-binding molecules, to target light and heavy lanthanides simultaneously for exceptionally efficient separation.

Benjamin Manard

Benjamin Manard has been named to the editorial board of Applied Spectroscopy Practica, serving as an associate editor.

Even small movements of hydrogen, shown in yellow, were found to cause large energy shifts in the attached iron atoms, shown in silver, which could be of interest in creating novel chemical reactions. Credit: Jill Hemman/ORNL, U.S. Dept. of Energy

Researchers from Yale University and ORNL collaborated on neutron scattering experiments to study hydrogen atom locations and their effects on iron in a compound similar to those commonly used in industrial catalysts.

Jason Gardner, Sandra Davern and Peter Thornton have been elected fellows of AAAS. Credit: Laddy Fields/ORNL, U.S. Dept. of Energy

Three scientists from the Department of Energy’s Oak Ridge National Laboratory have been elected fellows of the American Association for the Advancement of Science, or AAAS.

Researchers observe T-shaped cluster drives lanthanide separation system during liquid-liquid extraction. Credit: Alex Ivanov/ORNL, U.S. Dept. of Energy

Researchers at ORNL zoomed in on molecules designed to recover critical materials via liquid-liquid extraction — a method used by industry to separate chemically similar elements.

Researchers captured atomic-level insights on the rare-earth mineral monazite to inform future design of flotation collector molecules, illustrated above, that can aid in the recovery of critical materials. Credit: Chad Malone/ORNL, U.S. Dept. of Energy

Critical Materials Institute researchers at Oak Ridge National Laboratory and Arizona State University studied the mineral monazite, an important source of rare-earth elements, to enhance methods of recovering critical materials for energy, defense and manufacturing applications.