ABSTRACT

This chapter explains the considerations required to model catalytic growth of nanowires and nanotubes and the computational techniques by which these models can be solved were considered. To model the growth of One-Dimensional nanostructures, one must consider what information is required from the model, and from this select how best to represent the structure. The unique properties of one-dimensional nanostructures, such as nanotubes and nanowires, have stirred the interest of researchers trying to utilize them in advanced new devices. When modeling the growth of nanowires and nanotubes, one must consider many factors, including conditions for nucleation and growth, delivery of building units to the structures, and the role of different plasma species in the nanostructure nucleation and growth. Growth and nucleation models can be broadly divided into three categories: models that only consider growth in thermal equilibrium, those that model kinetic growth, and ab initio models.