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Filtered by Catalysis, Chemical Physics, Data Analytics & Machine Learning, Energy Storage, Explosives Detection, Hydrogen & Fuel Cells, Radiological & Nuclear Detection, Science of Interfaces, and Wind Energy
MARCH 16, 2020
Web Feature

Carving Out Quantum Space

The race toward the first practical quantum computer is in full stride. Scientists at PNNL are bridging the gap between today’s fastest computers and tomorrow’s even faster quantum computers.

Oxide interfaces in disarray

Microscope image, bright blue background with bright green oxides

Atomic-scale imaging informs interface models for oxygen defect formation during disordering of oxides used in energy and computing.


Exploration of disorder at material interfaces could lead to better device performance

March 3, 2020
March 3, 2020

The structure of an interface at which two materials meet helps determine the performance of the computers and other devices we use every day. However, understanding and controlling interface disorder at the atomic level is a difficult materials science challenge.

A research team at PNNL and Texas A&M University combined cutting edge imaging and numerical simulations to examine disordering processes in widely used oxide materials. They found that certain oxide interface configurations remain stable in extreme environments, suggesting ways to build better performing, more reliable devices for fuel cells, space-based electronics, and nuclear energy.

Visualizing the disordering process

As reported in Advanced Materials Interfaces (Asymmetric Lattice Disorder Induced at Oxide Interfaces,” DOI: 10.1002/admi.201901944) the team set out to examine interfaces between pyrochlore-like and perovskite oxides, two common classes of functional materials used in energy and computing technologies. While most past work has focused on individual bulk materials, less attention has been paid to interfaces connecting them, as would be the case in a device. In particular, it is not clear how interface features, such as composition, bonding, and possible defects, govern disordering processes.

Funded by PNNL’s Nuclear Process Science Initiative (NPSI), the team employed experimental and theoretical methods to study the interface at different stages of disorder introduced through ion irradiation. They imaged the local structure of the material using high-resolution scanning transmission electron microscopy and convergent beam electron diffraction, which showed that the bulk of the two materials disordered (amorphized) before the interface. After further irradiating the material, they found that a band region near the interface had remained crystalline, while the rest of the structure had become amorphous.

To understand this behavior, the team turned to a technique called electron energy loss spectroscopy, which allowed them to examine the atomic-scale chemistry and defects formed at the interface. Their measurements revealed the presence of substantial amounts of defects called oxygen vacancies, which can greatly affect properties such as magnetism and conductivity. Based on these observations, the team constructed a theoretical model of the interface and explored the effect of different interface configurations on the tendency to form vacancies.

“In our model we are able to systematically vary interface features, such as crystal structure, intermixing, and strain, to see their effect on defect formation. We found that the structure of the materials on both sides of the interface can influence where defects are likely to form first,” explained Steven R. Spurgeon, a PNNL materials scientist. “Our model suggests that by selecting appropriate crystal structures and controlling how they connect, it may be possible to dictate the sequence of defect formation, which would allow us to enhance the properties of these materials.”

The team is exploring other interface structures and chemistries, with an eye toward improving the performance of oxides used in extreme environments.

The study was conducted as part of the NPSI project, “Damage Mechanisms and Defect Formation in Irradiated Model Systems,” led by Spurgeon.

Research Team

Steven Spurgeon (PNNL), Tiffany Kaspar (PNNL), Vaithiyalingam Shutthanandan (Environmental Molecular Sciences Laboratory at PNNL), Jonathan Gigax (Texas A&M), Lin Shao (Texas A&M), Michel Sassi (PNNL).
February 20, 2020
JANUARY 10, 2020
Web Feature

Clark Recognized for Nuclear Chemistry Research

The world’s largest scientific society honored Sue B. Clark, a PNNL and WSU chemist, for contributions toward resolving our legacy of radioactive waste, advancing nuclear safeguards, and developing landmark nuclear research capabilities.

PNNL Launches Marine Renewable Energy Database

Logo of Tethys Engineering

PNNL created an online database to share information related to the marine renewable energy industry.

Tethys Engineering addresses industry’s technical and engineering challenges

November 18, 2019
November 18, 2019

Marine renewable energy (MRE) has the potential to provide 90 gigawatts of power in the United States through waves and tidal and ocean currents.

To harness the ocean’s energy, the MRE industry needs to understand how to address technical and engineering challenges such as efficient power takeoff, device survivability, and grid integration.

PNNL developed Tethys Engineering in September 2019 to allow sharing resources around the deployment of devices in corrosive, high-energy marine environments. The recently launched Tethys Engineering online database includes collected and curated documents surrounding the technical and engineering development of MRE devices. Users can search and filter results to intuitively identify information relevant to developers, researchers, and regulators.

Tethys Engineering includes more than 3,000 journal articles, conference papers, reports, and presentations related to wave, current, salinity gradient, and ocean thermal energy conversion technologies. The database contains information from around the world.

The Tethys Engineering database was created as a companion to the already established Tethys website, which focuses on the environmental effects of the MRE industry.

November 18, 2019
OCTOBER 31, 2019
Web Feature

The World’s Energy Storage Powerhouse

Pumped-storage hydropower offers the most cost-effective storage option for shifting large volumes of energy. A PNNL-led team wrote a report comparing cost and performance factors for 10 storage technologies.