Fig. 5.

Effect of particle roundness on compressive strength in MD simulations. a Compressive strength of a 20 nm nanoparticle in MD simulations with the hard and soft walls as a function of the particle roundness Γ (Γ = 0 for the ideal Wulff shape). The lines are linear fits that only serve as a guide to the eye. Typical particle shapes are shown for comparison. b Typical experimental particle with a rounded Wulff shape. c Particle from MD simulations with similar roundness. The atoms are colored according to their energy with brighter colors representing larger energy. The scale bar in (b) corresponds to 200 nm