ABSTRACT
Abstract ................................................................................................. 210 18.1 Introduction .................................................................................. 210 18.2 Material Modeling Methods ........................................................ 213 18.3 Carbon Nano Tubes (CNT): Structure and Properties ................. 226 18.4 Simultion of CNT’s Mechanical Properties ................................. 234 18.5 Literature Review on CNT Simulation ........................................ 241 Keywords .............................................................................................. 260 References ............................................................................................. 260
ABSTRACT
To promote the design and development of CNT-nanocomposite materials, structure and property relationships must be recognized that predict the bulk mechanical of these materials as a function of the molecular and micro structure mechanical properties of nano structured materials can be calculated by a select set of computational methods. In this chapter, new trends in computational chemistry and computational mechanics for the prediction of the structure and properties of CNT materials are presented simultaneously.
