Computational studies on the mechanical properties of diamond nanotoroids

Diamond nanotoroids are a new class of carbon nanostructures with interesting theoretical properties and are ideal for studying the elastic and plastic deformation behavior of diamond nanorods. Various sizes of diamond nanotoroids, along with a carbon nanotube, a carbon nanotube toroid, and a diamond nanorod were simulated using molecular dynamics. We tested these compounds for stability and compared our calculated values for the ultimate tensile strength and the Young’s modulus over a range of strain rates to those reported in the literature and attempted to explain any discrepancies found between our results and those reported. The results of these simulations suggest the tensile strength of diamond nanotoroids would be many times stronger than conventional materials and this novel material has potential for use in many demanding applications.