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Instantaneous solution quantities shown for a static Mach 1.4 solution on a mesh consisting of 33 billion elements using 33,880 GPUs, or 90% of Frontier.  From left to right, contours show the mass fractions of the hydroxyl radical and H2O, the temperature in Kelvin, and the local Mach number. Credit: Gabriel Nastac/NASA

Since 2019, a team of NASA scientists and their partners have been using NASA’s FUN3D software on supercomputers located at the Department of Energy’s Oak Ridge Leadership Computing Facility to conduct computational fluid dynamics simulations of a human-scale Mars lander. The team’s ongoing research project is a first step in determining how to safely land a vehicle with humans onboard onto the surface of Mars.

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.

ORNL’s Tomás Rush examines a culture as part of his research into the plant-fungus relationship that can help or hinder ecosystem health. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

New computational framework speeds discovery of fungal metabolites, key to plant health and used in drug therapies and for other uses. 
 

Researchers at Corning have found that understanding the stability of the rings of atoms in glass materials can help predict the performance of glass products.

Corning uses neutron scattering to study the stability of different types of glass. Recently, researchers for the company have found that understanding the stability of the rings of atoms in glass materials can help predict the performance of glass products.

Caption: Jaswinder Sharma makes battery coin cells with a lightweight current collector made of thin layers of aligned carbon fibers in a polymer with carbon nanotubes. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

Electric vehicles can drive longer distances if their lithium-ion batteries deliver more energy in a lighter package. A prime weight-loss candidate is the current collector, a component that often adds 10% to the weight of a battery cell without contributing energy.

2023 Top Science Achievements at SNS & HFIR

The 2023 top science achievements from HFIR and SNS feature a broad range of materials research published in high impact journals such as Nature and Advanced Materials.

Alex May, pictured above, is the first and only full-time data curator at the Department of Energy’s Oak Ridge Leadership Computing Facility. Credit: Carlos Jones and Wikimedia Commons, background/ORNL, U.S. Dept. of Energy
Alex May is the first and only full-time data curator at the Department of Energy’s Oak Ridge Leadership Computing Facility, evaluating datasets developed by computational scientists before they are made public through the OLCF’s Constellation portal for open data exchange.
The AI agent, incorporating a language model-based molecular generator and a graph neural network-based molecular property predictor, processes a set of user-provided molecules (green) and produces/suggests new molecules (red) with desired chemical/physical properties (i.e. excitation energy). Image credit: Pilsun You, Jason Smith/ORNL, U.S. DOE

A team of computational scientists at ORNL has generated and released datasets of unprecedented scale that provide the ultraviolet visible spectral properties of over 10 million organic molecules. 

ORNL researchers contributed biomass resources analysis to a new report that says carbon dioxide removal targets can be reached by 2050 using existing technology. Source: Jason Richards/ORNL, U.S. Dept. of Energy

Scientists from more than a dozen institutions have completed a first-of-its-kind high-resolution assessment of carbon dioxide removal potential in the United States, charting a path to achieve a net-zero greenhouse gas economy by 2050.