ABSTRACT

Abstract ................................................................................................. 212 9.1 Introduction .................................................................................. 212 9.2 Material Modeling Methods ........................................................ 215 9.3 Carbon Nano Tubes (CNT): Structure and Properties ................. 229 9.4 Simulation of CNT’s Mechanical Properties ............................... 237 9.5 Literature Review on CNT Simulation ........................................ 244 9.6 Summary and Conclusion on CNT Simulation ........................... 257 Keywords .............................................................................................. 262 References ............................................................................................. 262

A. K. HAGHI and G. E. ZAIKOV

ABSTRACT

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.