Indentation-induced plastic behavior of nanotwinned CuNi alloy: an atomic simulation

Abstract

This study uses molecular dynamics simulations to explore the mechanical properties of a nano-twinned copper–nickel alloy during indentation. We investigate the impact of twin boundary (TB) angles and spacing on the alloy’s behavior. The plastic deformation process is primarily driven by dislocation generations, slips, and TB interactions, directly affecting the alloy’s hardness. Significant findings include: (1) hardness initially decreases, then increases with increasing TB angle θ, and for TB spacing d greater than 1.25 nm, hardness can be predicted using a simple proposed model; (2) dislocation density ρ experiences significant variations, leveling off at an indentation depth around 1.0 nm; (3) when TB spacing d exceeds 1.25 nm, plastic deformation is dominated by dislocation nucleation, slips, and boundary interactions, while smaller spacings lead to TB migration and the presence of independent dislocation loops, giving rise to force fluctuations along indentation.