High-Throughput Screening of the Thermoelastic Properties of Ultrahigh-Temperature Ceramics.

ABSTRACT: Ultrahigh-temperature ceramics (UHTCs) are a group of materials with high technological interest because of their applications in extreme environments. However, their characterization at high temperatures represents the main obstacle for their fast development. Obstacles are found from an experimental point of view, where only few laboratories around the world have the resources to test these materials under extreme conditions, and also from a theoretical point of view, where actual methods are expensive and difficult to apply to large sets of materials. Here, a new theoretical high-throughput framework for the prediction of the thermoelastic properties of materials is introduced. This approach can be systematically applied to any kind of crystalline material, drastically reducing the comp

SUBMITTER: Nath P 

PROVIDER: S-EPMC8509953 | biostudies-literature | 2021 Jun

REPOSITORIES: biostudies-literature