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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 transportation and industrial sectors together account for more than 50% of the country’s carbon footprint. Defossilization could help reduce new emissions from these and other difficult-to-electrify segments of the U.S. economy.

Scientists at Oak Ridge National Laboratory and six other Department of Energy national laboratories have developed a United States-based perspective for achieving net-zero carbon emissions. 

New research predicts peak groundwater extraction for key basins around the globe by the year 2050. The map indicates groundwater storage trends for Earth’s 37 largest aquifers using data from the NASA Jet Propulsion Laboratory GRACE satellite. Credit: NASA.

Groundwater withdrawals are expected to peak in about one-third of the world’s basins by 2050, potentially triggering significant trade and agriculture shifts, a new analysis finds. 

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. 

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. 

In a win for chemistry, inventors at ORNL have designed a closed-loop path for synthesizing an exceptionally tough carbon-fiber-reinforced polymer, or CFRP, and later recovering all of its starting materials.

In a win for chemistry, inventors at ORNL have designed a closed-loop path for synthesizing an exceptionally tough carbon-fiber-reinforced polymer, or CFRP, and later recovering all of its starting materials.

: ORNL climate modeling expertise contributed to an AI-backed model that assesses global emissions of ammonia from croplands now and in a warmer future, while identifying mitigation strategies. This map highlights croplands around the world. Credit: U.S. Geological Survey

ORNL climate modeling expertise contributed to a project that assessed global emissions of ammonia from croplands now and in a warmer future, while also identifying solutions tuned to local growing conditions.