Dislocation plasticity in c$c$‐axis nanopillar compression of wurtzite ceramics: A study using neural network potentials

Journal of the American Ceramic Society, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 4, 2025

Abstract Ceramics typically exhibit brittle characteristics at room temperature. However, under high compressive stress conditions, such as during nanoindentation or compression tests on nanopillars, these materials can reach the necessary shear for dislocation nucleation and glide before fracture occurs. This allows observation of plastic deformation through dislocations even Yet, detailed insights into their atomic‐scale plasticity remain scarce. study employs atomistic simulations to explore in ‐oriented nanopillars wurtzite ceramics (i.e., GaN ZnO) uniaxial [0001] compression, utilizing a specially developed first‐principles neural network interatomic potential. We observed activation dislocations, corroborating experimental findings from in‐situ tests. Moreover, wurtzite‐to‐hexagonal phase transformation begins facet edges extends inward, forming wedge‐shaped regions. As progresses, nucleate wurtzite‐hexagonal boundary spread throughout nanopillar, contributing rougher surface texture. These quantitative results offer new behaviors loading, highlighting potential engineering ceramics.

Language: Английский

Strengthening or softening: on the impact of off-stoichiometry on the mechanical properties of ZrC

Acta Materialia, Journal Year: 2025, Volume and Issue: unknown, P. 120892 - 120892

Published: March 1, 2025

Language: Английский

Recent Trends and Progress in Molecular Dynamics Simulations of 2D Materials for Tribological Applications: An Extensive Review

Archives of Computational Methods in Engineering, Journal Year: 2025, Volume and Issue: unknown

Published: March 10, 2025

Language: Английский