Equivalent-Continuum Modeling With Application to Carbon Nanotubes

摘要: A method has been proposed for developing structure-property relationships of nano-structured materials. This serves as a link between computational chemistry and solid mechanics by substituting discrete molecular structures with equivalent-continuum models. It shown that this substitution may be accomplished equating the potential energy material strain representative truss continuum As important examples direct application to development characterization singlewalled carbon nanotubes design nanotube-based structural devices, modeling technique applied two independent examples: determination effectivecontinuum geometry bending rigidity graphene sheet. volume element chemical structure substituted equivalent-truss equivalentcontinuum result, an effective thickness model determined. The determined is significantly larger than inter-planar spacing graphite. sheet was subjected cylindrical (to form nanotube) plate bending.