Abstract
Interactions between nanoparticles is one of the key factors governing their assembly for ordered structures. Understanding such interactions between non-spherical nanoparticles and developing a quantitative force model are critical to achieving the ordered structures for various applications. In the present study, the non-contact interactions of two identical gold nanorods (AuNRs) with different aspect ratios have been studied by molecular dynamics simulation. A new interaction potential and force model for two nanorods approaching side-by-side has been proposed as a function of particle surface separation and their relative orientation. In addition, the interaction potentials of two nanorods approaching in other typical orientation configurations (i.e., crossed, head-to-head and head-to-side) have also been investigated.
Highlights
Interparticle interactions are common and exist in all length scales from planets, powders, molecules to atoms, either attractive or repulsive [1,2,3]
It has been well recognised that their interaction forces play a critical role in governing and controlling their various dynamic behaviours as well as the formation of versatile and ordered structures, such as suspending, aggregating, packing, and flowing [4,5,6,7,8]
Understanding and quantifications of the interactions between nanoparticles is complicated but crucial to explore their dynamic behaviours for promising applications
Summary
Interparticle interactions are common and exist in all length scales from planets, powders, molecules to atoms, either attractive or repulsive [1,2,3]. Sun et al [16,23,24,25,26] performed MD simulations to calculate the interaction forces of different nanospheres and quasi nanospheres (e.g., silica, silicon, carbon) and compared their results with some classical approximations They have successfully developed some equations to delineate the interaction force of nanoparticles (
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