Mechanical properties of crystalline-amorphous composites: generalisation of Hall-Petch and inverse Hall-Petch behaviours

TL;DR

This paper extends the understanding of how grain size and boundary thickness influence the strength of crystalline-amorphous composites, revealing optimal conditions for maximum strength and ductility, and explaining recent alloy experiments.

Contribution

It generalizes the Hall-Petch and inverse Hall-Petch laws to include grain boundary thickness, providing new insights into optimizing composite strength and ductility.

Findings

Maximum strength at (D,l) ≈ (50, 6) for FCC solids

Maximum strength at (D,l) ≈ (50, 2) for BCC and bidispersed solids

Identification of regimes without strength-ductility trade-off

Abstract

The strength, $\sigma_{\rm y}$, of a polycrystal decreases with mean grain diameter $D$ at $D\gtrsim50$ atoms (i.e. Hall-Petch behaviour) and increases at $D\lesssim50$ (i.e. inverse Hall-Petch behaviour). Our simulations generalise $\sigma_{\rm y}(D)$ to $\sigma_{\rm y}(D,l)$, where $l$ is the mean thickness of grain boundaries. For various particle compositions, the maximum strength is reached at $(D,l)\simeq(50, 6)$ particles for single-component face-centred-cubic solids and at $(D,l)\simeq(50, 2)$ for bidispersed or body-centred-cubic solids because of the different activation stresses of dislocation motions. The results explain recent alloy experiments and provide a way to exceed the maximum strength of polycrystals. Ductility and elastic moduli are also measured in the broad $(D,l)$ space. The regimes without a strength-ductility trade-off, the maximum ductility and ductile--brittle transitions are identified. These results obtained in $(D,l)$ space are important in solid mechanics and can guide the fabrication of crystalline-amorphous composites with outstanding mechanical properties.