Elastic properties of graphyne-based nanotubes
نویسندگان
چکیده
منابع مشابه
Elastic Properties of Carbon Nanotubes and Nanoropes
Elastic properties of carbon nanotubes and nanoropes are investigated using an empirical force-constant model. For single and multi-wall nanotubes the elastic moduli are shown to be insensitive to details of the structure such as the helicity, the tube radius and the number of layers. The tensile Young’s modulus and the torsion shear modulus calculated are comparable to that of the diamond, whi...
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boron nitride semiconducting zigzag swcnt, $b_{cb}$$n_{cn}$$c_{1-cb-cn}$, as a potential candidate for making nanoelectronic devices was examined. in contrast to the previous dft calculations, wherein just one boron and nitrogen doping configuration have been considered, here for the average over all possible configurations, density of states (dos) was calculated in terms of boron and nitrogen ...
15 صفحه اولStudy of Electronic Structure, Thermal Conductivity, Elastic and Optical Properties of α, β, γ-Graphyne
In recent years, graphyne was found to be the only 2D carbon material that has both sp and sp² hybridization. It has received significant attention because of its great potential in the field of optoelectronics, which arises due to its small band gap. In this study, the structural stability, electronic structure, elasticity, thermal conductivity and optical properties of α, β, γ-graphynes were ...
متن کاملAuthor's personal copy Mechanical properties of graphyne
Carbon nanotubes and graphene have paved the way for the next step in the evolution of carbon materials. Among the novel forms of carbon allotropes is graphyne – a two-dimensional lattice of sp–sp-hybridized carbon atoms similar to graphene for which recent progress has been made in synthesizing dehydrobenzoannulene precursors that form subunits of graphyne. Here, we characterize the mechanical...
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This paper deals with the calculation of the elastic properties for single-walled carbon nanotubes (SWCNTs) under axial deformation and hydrostatic pressure using the atomistic-based continuum approach and the deformation mapping technique. A hyperelastic model based on the higher-order Cauchy-Born (HCB) rule being applicable at finite strains and accounting for the chirality and material nonli...
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ژورنال
عنوان ژورنال: Computational Materials Science
سال: 2019
ISSN: 0927-0256
DOI: 10.1016/j.commatsci.2019.109153