A data-driven quest for room-temperature bulk plastically deformable ceramics

TL;DR

This study employs a data-driven approach to identify key parameters that predict room-temperature bulk plasticity in ceramics, linking macroscopic, crystallographic, and microscopic properties to facilitate the design of ductile ceramic materials.

Contribution

It introduces a multiscale descriptor framework that systematically maps intrinsic properties to ceramic plasticity, bridging empirical criteria and atomistic mechanisms.

Findings

Poisson's ratio and Pugh's ratio are key macroscopic indicators.

Burgers vector, crystal structure, and melting temperature are critical crystallographic descriptors.

Bader charge correlates with bonding character influencing plasticity.

Abstract

The growing number of ceramics exhibiting bulk plasticity at room temperature has renewed interest in revisiting plastic deformation and dislocation-mediated mechanical and functional properties in these materials. In this work, a data-driven approach is employed to identify the key parameters governing room-temperature bulk plasticity in ceramics. The model integrates an existing dataset of 55 ceramic materials, 38 plastically deformable and 17 brittle, and achieves accurate classification of bulk plasticity. The analysis reveals several key parameters essential for predicting bulk plasticity: i) Poisson's ratio and Pugh's ratio as macroscopic indicators reflecting the balance between shear and volumetric deformation resistance, and ii) Burgers vector, crystal structure and melting temperature as crystallographic descriptors associated with lattice geometry, slip resistance and thermal stability, and iii) Bader charge as a microscopic measure of bonding character. Together, these parameters define a multiscale descriptor space linking intrinsic materials properties to bulk room-temperature plasticity in ceramics, bridging the gap between empirical ductility criteria and atomistic mechanisms of dislocation-mediated plasticity. While preliminary, this study provides the first systematic, data-driven mapping of the governing factors of ceramic plasticity. The resulting framework establishes a foundation for unifying experimental and computational studies through shared datasets and descriptors, fostering collective progress toward understanding and designing intrinsically ductile ceramics.