Elastic behavior of carbon nanocoils: A molecular dynamics study

Abstract

Elastic behavior of carbon nanocoils is investigated through molecular dynamics simulations. In particular, spring constants of various nanocoils are derived. To do so, first a geometric model is prepared with the aid of finite element mesh generator. Then applying AIREBO potential, the model is simulated under tensile loading. Using the obtained deformation data, the spring constant is calculated. In order to study the effect of structural parameters, change of elastic properties with helix diameter as well as tube diameter is examined. The results are compared to those obtained via other methods reported in literature.