Ames Lab takes the guesswork out of discovering new high-entropy alloys

The U.S. Department of Energy's Ames Laboratory has developed a method of computational analysis that can help predict the composition and properties of as-yet unmade high performance alloys.

These materials are made up of multiple elements (four or more) and highly sought after for their simple structures, excellent mechanical properties over a wide range of temperatures, and improved oxidation or corrosion resistance. Advancements in these materials could lead to enhanced jet engine performance and fuel efficiency, as well as other applications in industries where mechanical parts must operate in harsh environments.

"What's traditionally been done in materials design is tweaking what we know about materials that have already been discovered, and we know that even small changes in the composition of alloys can result in big changes to their properties," said Duane Johnson, Ames Laboratory scientist and computational theorist. "But that means there's a ton of undiscovered territory out there, especially in alloys made of four or more elements."

Given the sheer number of possible alloy composition combinations, it would be difficult for experimentalists to know where to look for the next new high-entropy alloy. Not only that, high-entropy alloys are notoriously difficult to make, requiring expensive materials and specialty processing techniques. Even then, attempts in a laboratory don't guarantee that a theoretically possible compound is physically possible, let alone potentially useful.

"A good place to start then," said Johnson, "is being able to tell experimentalists where NOT to look." Using a high-throughput computational approach, the researchers used a unique electronic-structure method to predict properties of any arbitrary high-entropy-alloy composition, simultaneously assessing their ability to form a solid-solution in simple structures, their atomic ordering, their chemical stability, and their mechanical properties at changing temperatures.

"Our calculations answer a number of questions, the most important being 'is it even worth looking here?'" said Johnson. "We can narrow down the design space for multi-component systems, and circle the area(s) on which to focus for the most promising materials for investigation or development."

Related Links
Ames Laboratory
Space Technology News - Applications and Research

Tweet

Thanks for being there;
We need your help. The SpaceDaily news network continues to grow but revenues have never been harder to maintain.

With the rise of Ad Blockers, and Facebook - our traditional revenue sources via quality network advertising continues to decline. And unlike so many other news sites, we don't have a paywall - with those annoying usernames and passwords.

Our news coverage takes time and effort to publish 365 days a year.

If you find our news sites informative and useful then please consider becoming a regular supporter or for now make a one off contribution.

SpaceDaily Monthly Supporter
$5+ Billed Monthly

paypal only

SpaceDaily Contributor
$5 Billed Once

credit card or paypal

Progress toward 'infinitely recyclable' plastic
Tampa (AFP) April 26, 2018
US scientists said Thursday they have made progress toward a kind of plastic that can be recycled "infinitely," and that it appears durable enough to compete with regular plastics. Unlike plastics made from petroleum products, the new kind can be converted back to its original small-molecule state, and remade into new plastics over and over, said the report in the journal Science. "The polymers can be chemically recycled and reused, in principle, infinitely," said lead author Eugene Chen, profes ... read more