Elastic Properties of C and BxCyNz Composite Nanotubes

Abstract

We present a comparative study of the energetic, structural and elastic properties of carbon and composite single-wall nanotubes, including BN, BC3 and BC2N nanotubes, using a non-orthogonal tight-binding formalism. Our calculations predict that carbon nanotubes have a higher Young modulus than any of the studied composite nanotubes, and of the same order as that found for defect-free graphene sheets. We obtain good agreement with the available experimental results.

To appear in Physical Review Letters, 4 pages, 3 encapsulated postscript figures

References in corpus (1)

• Elastic Properties of Carbon Nanotubes and Nanoropes

Cited by in corpus (55)

• Ab-initio structural, elastic, and vibrational properties of carbon nanotubes
• Mechanics properties of Mono-layer Hexagonal Boron Nitride: Ab initio study
• One-dimensional van der Waals heterostructures
• Single- and multi-walled carbon nanotubes viewed as elastic tubes with Young's moduli dependent on layer number
• The strain energy and Young's Moduli of single-wall Carbon nanotubules calculated from the electronic energy-band theory
• Prediction of Half Metallicity along the Edge of Boron Nitride Zigzag Nanoribbons
• van der Waals interaction in nanotube bundles : consequences on vibrational modes
• Tensile Strength of Carbon Nanotubes under Realistic Temperature and Strain Rate
• Graphene: Piecing it together
• Vibrational properties of single-wall nanotubes and monolayers of hexagonal BN
• In-plane force fields and elastic properties of graphene
• Effect of randomly occurring Stone-Wales defects on mechanical properties of carbon nanotubes using atomistic simulation
• Intrinsic bending flexoelectric constants in two-dimensional materials
• Flat Bands in Twisted Bilayers of Two-Dimensional Polar Materials
• Photogalvanic Effects in Heteropolar Nanotubes
• From Layers to Nanotubes: Transition Metal Disulfides TMS2
• Stability and electronic properties of small BN nanotubes
• Bonding Nature, Structural Optimization, and Energetics studies of SiC Graphitic-Like layer Structures and Single/Double Walled Nanotubes
• High thermoelectric performance in the hexagonal bilayer structure consisting of light boron and phosphorus elements
• Modelling Realistic TiO2 Nanospheres: a Benchmark Study of SCC-DFTB against Hybrid DFT
• Continuum Theory for Piezoelectricity in Nanotubes and Nanowires
• Deformation and tribology of multi-walled hollow nanoparticles
• Modeling the Auxetic Transition for Carbon Nanotube Sheets
• Elasticity of nanometer-sized objects
• Mechanical properties of nanosheets and nanotubes investigated using a new geometry independent volume definition
• Mechanical Properties of Phosphorene Nanotubes: A Density Functional Tight-Binding Study
• Atomic scale lattice distortions and domain wall profiles
• Tailoring the diameter of decorated CN nanotubes by temperature variations using HF-CVD
• Tight Binding Molecular Dynamics Studies of Boron Assisted Nanotube Growth
• A comparative study of two molecular mechanics models based on harmonic potentials
• Ferroelectricity and ferromagnetism in EuTiO3 nanowires
• New multiferroics based on EuxSr1-xTiO3 nanotubes and nanowires
• Elastic Properties of Functionalized Carbon Nanotubes
• Nanomechanical Properties and Phase Transitions in a Double-Walled (5,5)@(10,10) Carbon Nanotube: ab initio Calculations
• Structure and energetics of carbon, hexagonal boron nitride and carbon/hexagonal boron nitride single-layer and bilayer nanoscrolls
• A lattice dynamical treatment for the total potential energy of single-walled carbon nanotubes and its applications: relaxed equilibrium structure, elastic properties, and vibrational modes of ultra-narrow tubes
• Hydroxyl vacancies in single-walled aluminosilicate and aluminogermanate nanotubes
• Designing electronic properties of two-dimensional crystals through optimization of deformations
• Young's moduli of carbon materials investigated by various classical molecular dynamics schemes
• Computational study of boron nitride nanotube synthesis: how catalyst morphology stabilizes the boron nitride bond
• Band-gap tuning and optical response of two-dimensional Si${}_x$C${}_{1-x}$: A first-principles real space study of disordered 2D materials
• Graphene as a hexagonal 2-lattice: evaluation of the in-plane material constants for the linear theory. A multiscale approach
• Interrelation of elasticity and thermal bath in nanotube cantilevers
• Morphology dependence of radial elasticity in multiwalled boron nitride nanotubes
• Criteria for the growth of fullerenes and single-walled carbon nanotubes in sooting environments
• Nanomaterials From Imogolite: Structure, Properties, and Functional Materials
• The structure relaxation of carbon nanotube
• Theoretical formation of carbon nanomembranes under realistic conditions using classical molecular dynamics
• Continuum theory for the piezoelectric response of chiral nanotubes under uniaxial and torsional stresses
• Mechanical, adhesive and thermodynamic properties of hollow nanoparticles
• Comparison of various schemes to determine the Young's modulus of disordered carbon nanomembranes compared to crystalline graphene
• Strain energy calculations of hexagonal boron nanotubes: An ab-initio approach
• Possible high thermoelectric power factor in alkali-metal-intercalated BC${}_3$: anisotropic multiple valleys originating from the van Hove singularity of graphene
• Meshless simulation for thermo-mechanical properties of single-walled carbon nanotubes based on the thermal-related higher order Cauchy-Born rule
• The thermo-mechanical behavior of low-dimensional materials