Computational Studies on Mechanical Properties of Carbon Nanotori

Authors: TAHİR ÇAĞIN, GUANGHUA GAO, WILLIAM A. GODDARD III

Abstract: Carbon has diverse structures, especially (0-dimensional) fullerenes, (1-dimensional) tubes have generated great interest among scientists and technologists. Studies of the structures and properties of these low dimensional carbon molecules show tremendous potential for use in nanoscale device applications. Motivated by these exciting possibilities in finding new forms of carbon materials and their potential applications, we have designed hypothetical single wall carbon nano-toroids. Carbon toroids are also ideal in studying the elastic and plastic deformation behavior of nanotubes under bending loads. We can accurately correlate the behavior of the tubes to its uniform curvature. In this particular work we focused on the rings of (10,10) tubes and studied their energetics, structure and mechanical properties as a function of their toroidal radius. Especially important, we have observed specific strain release paths for the toroids, i.e. the toroids going through plastic deformations and nucleating a number of kinks. We have studied phase stability diagram of toroids with kinks as a function of ring radius.

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