Descriptor for slip-induced crack-blunting in refractory ceramics

Understanding the competition between brittleness and plasticity in refractory ceramics is of importance for aiding design of hard materials with enhanced fracture resistance. Inspired by experimental observations of crack shielding due to dislocation activity in TiN ceramics [Int J Plast 27 (2011)...

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Bibliographic Details
Published in:arXiv.org 2023-09
Main Authors: Sangiovanni, D G, Kraych, A, Mrovec, M, Salamania, J, Oden, M, Tasnadi, F, Abrikosov, I A
Format: Article
Language:English
Subjects:
Ceramics
Crack propagation
Crystal defects
Crystal lattices
Dislocations
Fracture toughness
Hard materials
High temperature
Mechanical analysis
Mechanical properties
Molecular dynamics
Nucleation
Plastic properties
Shear deformation
Shear strength
Shear stress
Single crystals
Slip
System effectiveness
Tensile strength
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Summary:Understanding the competition between brittleness and plasticity in refractory ceramics is of importance for aiding design of hard materials with enhanced fracture resistance. Inspired by experimental observations of crack shielding due to dislocation activity in TiN ceramics [Int J Plast 27 (2011) 739], we carry out comprehensive atomistic investigations to identify mechanisms responsible for brittleness and slip-induced plasticity in Ti-N systems. First, we validate a semi-empirical interatomic potential against density-functional theory results of Griffith and Rice stress intensities for cleavage (KIc) and dislocation emission (KIe) as well as ab initio molecular dynamics mechanical-testing simulations of pristine and defective TiN lattices at temperatures between 300 and 1200 K. The calculated KIc and KIe values indicate intrinsic brittleness, as KIc
ISSN:2331-8422