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MARCH 31, 2020
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Scientists Take Aim at the Coronavirus Toolkit

A PNNL scientist is studying the structures of the proteins on the surface of the novel coronavirus, using NMR spectroscopy to reveal information about the molecular toolkit that holds the keys to a vaccine or treatment.
MARCH 12, 2020
Web Feature

Tracking Toxics in the Salish Sea

With the help of a diagnostic tool called the Salish Sea Model, researchers found that toxic contaminant hotspots in the Puget Sound are tied to localized lack of water circulation and cumulative effects from multiple sources.

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.
DECEMBER 11, 2019
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PNNL to Lead New Grid Modernization Projects

PNNL will lead three new grid modernization projects funded by the Department of Energy. The projects focus on scalability and usability, networked microgrids, and machine learning for a more resilient, flexible and secure power grid.
DECEMBER 6, 2019
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Converging on Coastal Science

Advancing a more collective understanding of coastal systems dynamics and evolution is a formidable scientific challenge. PNNL is meeting the challenge head on to inform decisions for the future.
NOVEMBER 26, 2019
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Conquering Peak Power

PNNL’s Intelligent Load Control technology manages and adjusts electricity use in buildings when there’s peak demand on the power grid.