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Abstract
A novel multiscale model and simulation has been developed by combining the algorithms from a course grained 2D lattice model with Brownian dynamics (BD). The lattice model incorporates Lennard-Jones and coulombic interactions between particles, as well as nearest-neighbor interactions. The BD simulation allows the particles to move in solution before they adsorb to the surface. This hybrid simulation is used to study the behavior of nanoparticles in the presence of a surface and evaporation of solvent. The simulation is able to produce amorphous topologies of nanoparticles on the surface.
Acknowledgements
The authors would like to acknowledge NEC for supplying computer equipment used in the development and implementation of the simulation, and funding support from the National Science Foundation (EEC-0234002, MRI-0321147, CHE-0416090), and the US Department of Education (P116Z040100, P116Z05033).