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.
Highlights
One of the fullerene allotropes of carbon is carbon nanocoil (CNC) which is sometimes referred to as nanospring, helical carbon nanotube (HCNT) or coiled carbon nanotube (CCNT)
Elastic behavior of carbon nanocoils is investigated through molecular dynamics simulations
As the latter terms suggest, it seems like a carbon nanotube (CNT) which has been coiled into a helixshaped structure.[1]
Summary
One of the fullerene allotropes of carbon is carbon nanocoil (CNC) which is sometimes referred to as nanospring, helical carbon nanotube (HCNT) or coiled carbon nanotube (CCNT). As the latter terms suggest, it seems like a carbon nanotube (CNT) which has been coiled into a helixshaped structure.[1] The main difference between CNC and CNT, beyond their overall geometry, is the existence of pentagons and heptagons, in addition to hexagons, in a CNC, compared to a CNT which is, in perfect structure, solely composed of hexagons. The electronic properties of CNCs have been shown to be significantly changed from those of CNTs.[4,5]
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