Issue 15, 2025

Effect of reversible dislocation-based deformation on nanoparticle strain at failure

Abstract

Molecular dynamics simulations are used to isolate and quantify the reversible and irreversible mechanisms that contribute to deformation in platinum nanoparticles under compression. Quantitative analysis reveals how the nucleation and entanglement of dislocations can lead to reversible dislocation-based deformation. Simulations run at different temperatures and loading conditions show that the formation of entangled dislocations is more likely at higher temperatures and is facilitated by loading orientations where dislocations nucleate on intersecting slip planes. The presence of entangled dislocations increases the strain at failure due to the ability of those dislocations to accommodate strain reversibly. The results are corroborated by the observation of similar entangled dislocation loops during in situ compression experiments on nanoparticles of the same material. Overall, these findings provide insight into the role of dislocations in both reversible and irreversible deformation and their implications for nanoparticle stability and properties.

Graphical abstract: Effect of reversible dislocation-based deformation on nanoparticle strain at failure

Supplementary files

Article information

Article type
Paper
Submitted
06 Dec 2024
Accepted
08 Mar 2025
First published
12 Mar 2025

Nanoscale, 2025,17, 9297-9307

Effect of reversible dislocation-based deformation on nanoparticle strain at failure

C. Zhang, A. K. Prasad, T. Liu, T. D. B. Jacobs and A. Martini, Nanoscale, 2025, 17, 9297 DOI: 10.1039/D4NR05138F

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