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Researchers used quantum Monte Carlo calculations to accurately render the structure and electronic properties of germanium selenide, a semiconducting nanomaterial. Credit: Paul Kent/ORNL, U.S. Dept. of Energy

A multi-lab research team led by ORNL's Paul Kent is developing a computer application called QMCPACK to enable precise and reliable predictions of the fundamental properties of materials critical in energy research.

Genetic analysis revealed connections between inflammatory activity and development of atomic dermatitis, according to researchers from the UPenn School of Medicine, the Perelman School of Medicine, and Oak Ridge National Laboratory. Credit: Kang Ko/UPenn

University of Pennsylvania researchers called on computational systems biology expertise at Oak Ridge National Laboratory to analyze large datasets of single-cell RNA sequencing from skin samples afflicted with atopic dermatitis.

Neutron computed tomography reveals how water is constrained to travel only along certain strands of a special yarn coated with a water-wicking compound and a biocatalytic enzyme. Credit: Yuxuan Zhang/ORNL, U.S. Dept. of Energy

Textile engineering researchers from North Carolina State University used neutrons at Oak Ridge National Laboratory to identify a special wicking mechanism in a type of cotton yarn that allows the fibers to control the flow of liquid across certain strands.

ORNL researchers used neutrons at the lab’s Spallation Neutron Source to analyze modified high-entropy metal alloys with enhanced strength and ductility, or the ability to stretch, under high-stress without failing. Credit: Rui Feng/ORNL, U.S. Dept. of Energy
Researchers at Oak Ridge National Laboratory have developed a method of adding nanostructures to high-entropy metal alloys, or HEAs, that enhance both strength and ductility, which is the ability to deform or stretch
ORNL and NASA’s Jet Propulsion Laboratory scientists studied the formation of amorphous ice like the exotic ice found in interstellar space and on Jupiter’s moon, Europa. Credit: NASA/JPL-Caltech

Researchers from NASA’s Jet Propulsion Laboratory and Oak Ridge National Laboratory successfully created amorphous ice, similar to ice in interstellar space and on icy worlds in our solar system. They documented that its disordered atomic behavior is unlike any ice on Earth.

The pressure cell uses two gem-quality synthetic opposing diamonds to exert extreme pressures on materials, providing fundamental insights into materials that only neutrons can reveal. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

Researchers at Oak Ridge National Laboratory’s Spallation Neutron Source have developed a diamond anvil pressure cell that will enable high-pressure science currently not possible at any other neutron source in the world.

ORNL has modeled the spike protein that binds the novel coronavirus to a human cell for better understanding of the dynamics of COVID-19. Credit: Stephan Irle/ORNL, U.S. Dept. of Energy

To better understand the spread of SARS-CoV-2, the virus that causes COVID-19, Oak Ridge National Laboratory researchers have harnessed the power of supercomputers to accurately model the spike protein that binds the novel coronavirus to a human cell receptor.

The TRITON model provides a detailed visualization of the flooding that resulted when Hurricane Harvey stalled over Houston for four days in 2017. Credit: Mario Morales-Hernández/ORNL, U.S. Dept. of Energy

A new tool from Oak Ridge National Laboratory can help planners, emergency responders and scientists visualize how flood waters will spread for any scenario and terrain.

ORNL assisted in investigating proteins called porins, one shown in red, which are found in the protective outer membrane of certain disease-causing bacteria and tether the membrane to the cell wall. Credit: Hyea (Sunny) Hwang/Georgia Tech and ORNL, U.S. Dept. of Energy

Scientists from Oak Ridge National Laboratory used high-performance computing to create protein models that helped reveal how the outer membrane is tethered to the cell membrane in certain bacteria.

UTK researchers used neutron probes at ORNL to confirm established fundamental chemical rules can also help understand and predict atomic movements and distortions in materials when disorder is introduced, as arrows show. Credit: Eric O’Quinn/UTK

Pauling’s Rules is the standard model used to describe atomic arrangements in ordered materials. Neutron scattering experiments at Oak Ridge National Laboratory confirmed this approach can also be used to describe highly disordered materials.