The relationship between nanoparticle characteristics, materials properties and the method of handling/processing
Understanding the formation, behaviour and performance of particles down to the nano-scale is a challenge for scientists and researchers worldwide. Computational methods that bridge molecular dynamics (MD) and granular dynamics (GD) play a very important role in this area. One effort of our work in 2007 was to model the agglomeration of particles due to cohesive forces, a common phenomenon in many processes. It aims to study the agglomerate formation and structural properties by means of GD simulation, with special reference to the role of inter-particle cohesion, which is directly related to particle size.
Major achievements and research highlights
Agglomeration of fine particles was studied by GD simulation focused on the effect of particle size on the agglomerate structure and strength. The results showed that both packing density and coordination number decay exponentially to their planar limits as agglomerate size increases, and structural properties are dependent on the interparticle force. Equations were formulated to describe these relationships to facilitate engineering applications. Coupled with the Rumpt model, they can be used to calculate the tensile strength of agglomerates.
Future plans and directions
Research efforts will focus on developing a simulation model that can be applied to nanoparticles, so that the relationships established can be extended from micro- to nano-meter scale.
