This study investigates the nanoindentation response of Ag coating deposited on Cu (111) substrate using molecular dynamics (MD) simulations, with a particular focus on the role of crystallographic orientation and loading conditions. Three different Ag bilayer orientations, namely Ag (100), Ag (110), and Ag (111), are systematically analyzed to evaluate how heterogeneous interfaces affect the deformation mechanisms and mechanical behavior at the nanoscale. The results demonstrate that the Ag (111)/Cu (111) configuration produces a higher indentation force compared to the Ag (100)/Cu (111) and Ag (110)/Cu (111) systems, indicating enhanced resistance to deformation. This behavior is attributed to the lower lattice mismatch and better atomic registry at the Ag (111)/Cu (111) interface, which promotes stronger interfacial bonding and improved load transfer. Furthermore, the influence of indentation velocity is examined for the Ag (111)/Cu (111) bilayer by varying the velocity from 120 m/s to 200 m/s. The simulation results reveal a clear trend of increasing force and hardness with higher indentation velocities, suggesting a strain-rate-dependent strengthening effect. At elevated velocities, limited time for atomic relaxation leads to increased resistance against plastic deformation. Dislocation extraction analysis (DXA) further supports these findings by revealing the nucleation and evolution of dislocations and defects, particularly near the interface region. The density and complexity of dislocation structures increase with both improved interface coherence and higher indentation velocities, providing deeper insight into the fundamental mechanisms governing the mechanical performance of Ag/Cu bilayer systems.
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Effect of heterogeneous interfaces on the mechanical characteristic and deformation behavior of metal Bilayers
Published:
10 June 2026
by MDPI
in The 5th International Online Conference on Crystals
session Crystalline Metals and Alloys
Abstract:
Keywords: Ag/Cu bilayers, Nanoindentation, Dislocation, Deformation, MD simulation