Dissipation and plastic deformation in collisions between metallic nanoparticles

WC Tucker and AR Dove and PK Schelling, COMPUTATIONAL MATERIALS SCIENCE, 161, 215-222 (2019).

DOI: 10.1016/j.commatsci.2019.02.004

Collisions between amorphous Fe nanoparticles were studied using molecular-dynamics simulation. For head-on collisions of nanoparticles with radii R = 1.4 nm, R = 5.2 nm, and R = 11 nm, sticking was observed at all simulated velocities. The results were compared to the description provided by the JKR model. It was found that strong disagreement exists between the predictions of JKR and the results of the molecular-dynamics simulation due to the presence of additional dissipative processes which strengthen sticking behavior. First, it is demonstrated that very strong dissipation into atomic vibrations occurs during the collision. The dissipation is strong enough to prevent significant rebound of the nanoparticles. Additionally, the morphology of the adhered nanoparticles includes a "neck" that increases in radius with increasing collision velocity which results in amplified irreversibility and adhesion. Approximate calculation of the stress during the collision indicates that stress levels are well above typical yield stress values even for low velocity collisions, consistent with the observation of plastic deformation. Furthermore, it is shown that for nanoparticles with R <= 11 nm, the dominance of surface attraction results in large effective collision velocities and plastic deformation. By obtaining scaling relations for computed quantities, predictions are made for larger nanoparticles up to R similar to 1 mu m. This work provides a new perspective on collisional dissipation and adhesion with an important connection to the modern understanding of tribology and friction.

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