Exploitation of Defects in High Entropy Ceramic Barrier Materials

Technical Report · Fri Sep 01 04:00:00 EDT 2023

DOI:https://doi.org/10.2172/2430266· OSTI ID:2430266

Leverant, Calen J. ^[1]; Lowry, Daniel Robert ^[1]; Riley, Christopher Ryan ^[1]; McCoy, Chad August ^[1]; Ulmen, Benjamin A. ^[1]; Biedermann, Laura Butler ^[1]; Bishop, Sean Robert ^[1]; Sava Gallis, Dorina F. ^[1]; Harvey, Jacob A. ^[1]

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1. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

A critical mission need exists to develop new materials that can withstand extreme environments and multiple sequential threats. High entropy materials, those containing 5 or more metals, exhibit many exciting properties which would potentially be useful in such situations. However, a particularly hard challenge in developing new high entropy materials is determining a priori which compositions will form the desired single phase material. The project outlined here combined several modeling and experimental techniques to explore several structure-property-relationships of high entropy ceramics in an effort to better understand the connection between their compositional components, their observed properties, and stability. We have developed novel machine learning algorithms which rapidly predict stable high entropy ceramic compositions, identified the stability interplay between configurational entropy and cation defects, and tested the mechanical stability of high entropy oxides using the unique capabilities at the Dynamic Compression Sector facility and the Saturn accelerator.

• Research Organization: Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)
• Sponsoring Organization: USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE National Nuclear Security Administration (NNSA)
• DOE Contract Number: NA0003525
• OSTI ID: 2430266
• Report Number(s): SAND--2023-11845
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE