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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. 

Scientists at Oak Ridge National Laboratory contributed to several chapters of the Fifth National Climate Assessment, providing expertise in complex ecosystem processes, energy systems, human dynamics, computational science and Earth-scale modeling. Credit: ORNL, U.S. Dept. of Energy

Scientists at ORNL used their knowledge of complex ecosystem processes, energy systems, human dynamics, computational science and Earth-scale modeling to inform the nation’s latest National Climate Assessment, which draws attention to vulnerabilities and resilience opportunities in every region of the country.

The sun sets behind the ORNL Visitor Center in this aerial photo from April 2023. Credit: Kase Clapp/ORNL, U.S. Dept. of Energy

In fiscal year 2023 — Oct. 1–Sept. 30, 2023 — Oak Ridge National Laboratory was awarded more than $8 million in technology maturation funding through the Department of Energy’s Technology Commercialization Fund, or TCF.

Clouds of gray smoke in the lower left are funneled northward from wildfires in Western Canada, reaching the edge of the sea ice covering the Arctic Ocean. A second path of thick smoke is visible at the top center of the image, emanating from wildfires in the boreal areas of Russia’s Far East, in this image captured on July 13, 2023. Credit: NASA MODIS

Wildfires have shaped the environment for millennia, but they are increasing in frequency, range and intensity in response to a hotter climate. The phenomenon is being incorporated into high-resolution simulations of the Earth’s climate by scientists at the Department of Energy’s Oak Ridge National Laboratory, with a mission to better understand and predict environmental change.

From left are UWindsor students Isabelle Dib, Dominik Dziura, Stuart Castillo and Maksymilian Dziura at ORNL’s Neutron Spin Echo spectrometer. Their work advances studies on a natural cancer treatment. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

A scientific instrument at ORNL could help create a noninvasive cancer treatment derived from a common tropical plant.

Heat is typically carried through a material by vibrations known as phonons. In some crystals, however, different atomic motions — known as phasons — carry heat three times faster and farther. This illustration shows phasons made by rearranging atoms, shown by arrows. Credit: Jill Hemman/ORNL, U.S. Dept. of Energy

Warming a crystal of the mineral fresnoite, ORNL scientists discovered that excitations called phasons carried heat three times farther and faster than phonons, the excitations that usually carry heat through a material.

A team of ORNL researchers used neutron diffraction experiments to study the 3D-printed ACMZ alloy and observed a phenomenon called “load shuffling” that could inform the design of stronger, better-performing lightweight materials for vehicles. Credit: ORNL, U.S. Dept. of Energy

ORNL researchers have identified a mechanism in a 3D-printed alloy – termed “load shuffling” — that could enable the design of better-performing lightweight materials for vehicles.

Researchers found that moderate levels of ash — sometimes found as spheres in biomass — do not significantly affect the mechanical properties of biocomposites made up of corn stover, switchgrass and PLA thermoplastic. Credit: Andy Sproles/ORNL, U.S. Dept. of Energy

The presence of minerals called ash in plants makes little difference to the fitness of new naturally derived compound materials designed for additive manufacturing, an Oak Ridge National Laboratory-led team found.

When an electron beam drills holes in heated graphene, single-atom vacancies, shown in purple, diffuse until they join with other vacancies to form stationary structures and chains, shown in blue. Credit: Ondrej Dyck/ORNL, U.S. Dept. of Energy

Oak Ridge National Laboratory researchers serendipitously discovered when they automated the beam of an electron microscope to precisely drill holes in the atomically thin lattice of graphene, the drilled holes closed up.

Researchers at ORNL designed a recyclable carbon fiber material to promote low-carbon manufacturing. Credit: Chad Malone/ORNL, U.S. Dept. of Energy

Oak Ridge National Laboratory scientists designed a recyclable polymer for carbon-fiber composites to enable circular manufacturing of parts that boost energy efficiency in automotive, wind power and aerospace applications.