A Self-Organizing Nano-Particle Simulator and Its Applications

We have developed a computer simulator to help understand the complex process of self organization among nano-particles. Compared to conventional experiments, the simulation approach has advantages such as time and cost savings and may even offer additional scientific insight. One concern that has prevented this approach from more wide-spread use, however, is that it may not produce realistic and valid outcome. A major aim of our ongoing effort is to address this concern. Our simulator models particles as agents in a multi- agent system. It has been designed to simulate particle interaction by following physical laws as accurately as possible. Each particle is modeled by their charge, mass, state and size, and their interactions are governed by physical forces and coefficients, which are integrated according to known physics. The environment is modeled by global fields, the boundary of the simulated world and probabilistic evaporation of liquid particles. This simulator allows users to access various boundary properties, physics functions and visual preferences. Our for example, modeled world (the user can define the boundary´s type, size, movement, location, and give it a specific action. The boundary is also capable of altering itself depending on the environmental changes. The simulator is able to replicate known experimental phenomena such as the coffee-stain-like ring left behind when a droplet of nano-solution dries. Self-organization of the simulated nano-particles can also be generated using the program´s various functionalities. The simulator can be used to support materials science organizing research by accurately predicting and controlling the self-organization process of nano- particles.