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Gina Tourassi, left, has been appointed as director of the National Center for Computational Sciences at Oak Ridge National Laboratory. Tourassi replaces NCCS director Jim Hack, who will transition to a strategic leadership role in CCSD. Credit: Carlos Jones/ORNL

Gina Tourassi has been appointed as director of the National Center for Computational Sciences, a division of the Computing and Computational Sciences Directorate at Oak Ridge National Laboratory.

Costas Tsouris portrait

While Tsouris’ water research is diverse in scope, its fundamentals are based on basic science principles that remain largely unchanged, particularly in a mature field like chemical engineering.

Background image represents the cobalt oxide structure Goodenough demonstrated could produce four volts of electricity with intercalated lithium ions. This early research led to energy storage and performance advances in myriad electronic applications. Credit: Jill Hemman/Oak Ridge National Laboratory, U.S. Dept. of Energy

Two of the researchers who share the Nobel Prize in Chemistry announced Wednesday—John B. Goodenough of the University of Texas at Austin and M. Stanley Whittingham of Binghamton University in New York—have research ties to ORNL.

Water and energy are inextricably linked, yet in our 20th-century water systems we use freshwater once then throw it away. With innovations designed to enhance desalination technologies, agricultural runoff, produced water from industry, and inland brackish groundwater that are now seen as untreatable could all be sources of clean, safe, and affordable water.

The National Alliance for Water Innovation, a partnership of the Department of Energy’s Oak Ridge National Laboratory, other national labs, university and private sector partners, has been awarded a five-year, $100 million Energy-Water Desalination Hub by DOE to address water security issues in the United States.

U.S. Department of Energy and Cray to Deliver Record-Setting Frontier Supercomputer at ORNL

OAK RIDGE, Tenn., May 7, 2019—The U.S. Department of Energy today announced a contract with Cray Inc. to build the Frontier supercomputer at Oak Ridge National Laboratory, which is anticipated to debut in 2021 as the world’s most powerful computer with a performance of greater than 1.5 exaflops.

ORNL collaborator Hsiu-Wen Wang led the neutron scattering experiments at the Spallation Neutron Source to probe complex electrolyte solutions that challenge nuclear waste processing at Hanford and other sites. Credit: Genevieve Martin/Oak Ridge National Laboratory, U.S. Dept. of Energy.

Researchers at the Department of Energy’s Oak Ridge National Laboratory, Pacific Northwest National Laboratory and Washington State University teamed up to investigate the complex dynamics of low-water liquids that challenge nuclear waste processing at federal cleanup sites.

The illustrations show how the correlation between lattice distortion and proton binding energy in a material affects proton conduction in different environments. Mitigating this interaction could help researchers improve the ionic conductivity of solid materials.

Ionic conduction involves the movement of ions from one location to another inside a material. The ions travel through point defects, which are irregularities in the otherwise consistent arrangement of atoms known as the crystal lattice. This sometimes sluggish process can limit the performance and efficiency of fuel cells, batteries, and other energy storage technologies.

Molecular dynamics simulations of the Fs-peptide revealed the presence of at least eight distinct intermediate stages during the process of protein folding. The image depicts a fully folded helix (1), various transitional forms (2–8), and one misfolded state (9). By studying these protein folding pathways, scientists hope to identify underlying factors that affect human health.

Using artificial neural networks designed to emulate the inner workings of the human brain, deep-learning algorithms deftly peruse and analyze large quantities of data. Applying this technique to science problems can help unearth historically elusive solutions.

Illustration of the intricate organization of the PKA structure, wherein different parts of the protein are connected through elaborate hydrogen bonding networks (dashed yellow lines), glued together by the hydrophobic assemblies (light blue and orange volumes)—all working together to build the functional active site. Insert shows protonation of the transferred phosphoryl group (cyan mesh) and its many interactions with water and the active site amino acid residues. Credit: Jill Hemman/ORNL

OAK RIDGE, Tenn., March 20, 2019—Direct observations of the structure and catalytic mechanism of a prototypical kinase enzyme—protein kinase A or PKA—will provide researchers and drug developers with significantly enhanced abilities to understand and treat fatal diseases and neurological disorders such as cancer, diabetes, and cystic fibrosis.

In this MXene electrode, choosing the appropriate solvent for the electrolyte can increase energy density significantly. This scanning electron microscopy image shows fine features of a film only 5 microns thick—approximately 10 times narrower than a human hair. Credit: Drexel University; image by Tyler Mathis
Scientists at ORNL, Drexel University and their partners have discovered a way to improve the energy density of promising energy-storage materials, conductive two-dimensional ceramics called MXenes.