COMPLAS 2025

A combined experimental-computational study of the compression of hemispherical nanoporous gold nanoparticles

  • Engelman, Ben (Technion - Israel Institute of Technology)
  • Mathesan, Santhosh (Technion - Israel Institute of Technology)
  • Fedyaeva, Tatyana (Technion - Israel Institute of Technology)
  • Bisht, Anuj (Technion - Israel Institute of Technology)
  • Rabkin, Eugen (Technion - Israel Institute of Technology)
  • Mordehai, Dan (Technion - Israel Institute of Technology)

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Nanoporous gold (NPG) possesses distinctive mechanical properties, primarily due to its high surface-to-volume ratio and complex ligament topology. In this talk, we present a combined experimental and computational study to examine the inhomogeneous deformation of sub-micrometer-scale hemispherical NPG nanoparticles (NPG-NPs) under compression. By employing a combination of the dewetting process and dealloying of Ag-Au alloys, we synthesized NPG-NPs with ligament diameters averaging 13 nm and overall particle sizes ranging from 200 to 800 nm. Structural analysis identified a small number of grain boundaries, mostly twin boundaries. Compression tests using a flat punch revealed an initial linear load-displacement behavior, followed by a pronounced increase in slope beyond a critical depth. To gain further insight into the underlying mechanisms, we conducted molecular dynamics (MD) simulations on NPG-NPs with different sizes, solid volume fractions, and ligament diameters. The simulated load-displacement responses closely aligned with the experimental results, validating our computational approach. A key observation in this study is the localized densification of NPG-NPs beneath the compressing punch. Through an analysis of dislocation density profiles, we linked this densification region to the mean-free path of dislocations and their depletion, which is driven by the nanoporous structure. This result highlight the fundamental difference between these high surface-to-volume structures and solid nanoparticles. The steepening of the load-displacement curve was attributed to interactions between the densified region and the underlying substrate. Building on these findings, we propose a model for inhomogeneous deformation that facilitates the assessment of real contact stresses in experimental settings. This research advances our understanding of the mechanical response of nanoporous materials at the nanoscale, providing valuable insights into the analysis of NPG structure indentation.