Nanotech 2010

Computer Simulation and Study of Bridge–Like Radiation Defects in the Carbon Nano-Structures in Composite Materials

A.M. Ilyin, G.W. Beall
Kazakh National University, KZ

Keywords: carbon nano-structures


It is known that unique mechanical properties of carbon nanotubes (CNT) and graphene fragments can be used by introduction them into different matrices as reinforcement elements. But it should be taking into account that the sp2 electron structure often results in very low binding energy between CNT’s surface and atoms of a matrix. This results in poor interfacial bonding of the nanotubes or nanostructures fragments that can slide in the matrix, or relatively to each other under stressed condition. It results in decreasing the part of CNT’s surface, transferring stress between matrix and reinforcement elements under stressed state of the composite. This therefore limits rather severely the amount of ultimate strength present in the nanotubes that can effectively be transferred to the matrix. The paper presents results of computer simulation and study of a special type of radiation induced bridge-like linking defects in reinforcement carbon nanostructures. The binding energy and structure characteristics of the defects produced in carbon nanotubes and in graphene clusters have been determined utilizing well known semiempirical extended H ckel and density functional theory.
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