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Frontier supercomputer sets new standard in molecular simulation

When scientists pushed the world’s fastest supercomputer to its limits, they found those limits stretched beyond even their biggest expectations. In the latest milestone, a team of engineers and scientists used Frontier to simulate a system of nearly half a trillion atoms — the largest system ever modeled and more than 400 times the size of the closest competition.

From left, J.D. Rice, Trevor Michelson and Chris Seck look at a monitor in Seck’s lab. The three are wearing safety glasses to protect against the laser beams used by the scanning vibrometer, which is helping Seck quantify vibration of an appliance in his lab. Carlos Jones/ORNL, U.S. Dept. of Energy

ORNL scientists are working on a project to engineer and develop a cryogenic ion trap apparatus to simulate quantum spin liquids, a key research area in materials science and neutron scattering studies.

The EPA approved the registration and use of a renewable gasoline blendstock developed by Vertimass LLC and Oak Ridge National Laboratory that can significantly reduce vehicle emissions when added to conventional fuels. Credit: Adam Malin/ORNL, U.S. Dept. of Energy

The U.S. Environmental Protection Agency has approved the registration and use of a renewable gasoline blendstock developed by Vertimass LLC and ORNL that can significantly reduce the emissions profile of vehicles when added to conventional fuels.

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Simulations performed on the Summit supercomputer at ORNL are cutting through that time and expense by helping researchers digitally customize the ideal alloy. 

ORNL’s Erin Webb is co-leading a new Circular Bioeconomy Systems Convergent Research Initiative focused on advancing production and use of renewable carbon from Tennessee to meet societal needs. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

ORNL’s Erin Webb is co-leading a new Circular Bioeconomy Systems Convergent Research Initiative focused on advancing production and use of renewable carbon from Tennessee to meet societal needs. 

Intern Noah Miller, left, and his mentor, Joe McVeigh, stand with their poster at the American Glovebox Society conference in 2023.

College intern Noah Miller is on his 3rd consecutive internship at ORNL, currently working on developing an automated pellet inspection system for Oak Ridge National Laboratory’s Plutonium-238 Supply Program. Along with his success at ORNL, Miller is also focusing on becoming a mentor for kids, giving back to the place where he discovered his passion and developed his skills. 

Astrophysicists at the State University of New York, Stony Brook, and University of California, Berkeley created 3D simulations of X-ray bursts on the surfaces of neutron stars. Two views of these X-ray bursts are shown: the left column is viewed from above while the right column shows it from a shallow angle above the surface.

Astrophysicists at the State University of New York, Stony Brook and University of California, Berkeley, used the Oak Ridge Leadership Computing Facility’s Summit supercomputer to compare models of X-ray bursts in 2D and 3D. 

The 2023 Billion-Ton Report identifies feedstocks that could be available to produce biofuels to decarbonize the transportation and industrial sectors while potentially tripling the U.S. bioeconomy. The map indicates a mature market scenario, including emerging resources. Credit: ORNL/U.S. Dept. of Energy

The United States could triple its current bioeconomy by producing more than 1 billion tons per year of plant-based biomass for renewable fuels, while meeting projected demands for food, feed, fiber, conventional forest products and exports, according to the DOE’s latest Billion-Ton Report led by ORNL.

ORNL

Two different teams that included Oak Ridge National Laboratory employees were honored Feb. 20 with Secretary’s Honor Achievement Awards from the Department of Energy. This is DOE's highest form of employee recognition. 

Iridium-192 will be irradiated in the High Flux Isotope Reactor at ORNL before being sent to QSA Global for processing.

A key industrial isotope, iridium-192, has not been produced in the U.S. in almost 20 years. DOE's Isotope Program and QSA Global Inc. announced a joint product development agreement to initiate U.S. production of iridium-192.