ABSTRACT
Molecular mechanics is powerful tool for developing some of the fundamental bulk properties of nanostructures. Nanostructures are very valuable to nanocomposites, particularly if they adhere well to the surrounding medium they are in. This chapter reviews some of the molecular mechanics methodologies that have been developed and that can be used to derive the bulk properties of nanomaterials useful to nanocomposite engineering. The nanomaterials may take the form of carbon nanotubes (CNT) or another nanostructure such as nanoplatelets. Because of their superior strength, stiffness, and stability, CNTs are seeing considerable use in nanocomposites. The chapter shows that how many researchers and engineers have successfully used molecular mechanics and the results they achieved as well as some of the challenges they faced. The chapter outlines some of concepts for developing bulk properties of nanostructures using molecular mechanics and molecular dynamics with the cited references providing the details.
