A structural mechanics approach for the analysis of carbon nanotubes

This paper presents a structural mechanics approach to modeling the deformation of carbon nanotubes. Fundamental to the proposed concept is the notion that a carbon nanotube is a geometrical frame-like structure and the primary bonds between two nearest-neighboring atoms act like load-bearing beam m...

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Bibliographic Details
Published inInternational journal of solids and structures Vol. 40; no. 10; pp. 2487 - 2499
Main Authors Li, Chunyu, Chou, Tsu-Wei
Format Journal Article
LanguageEnglish
Published Oxford Elsevier Ltd 01.05.2003
Elsevier Science
Subjects
Atomistic modeling
Carbon nanotube
Condensed matter: structure, mechanical and thermal properties
Exact sciences and technology
Force fields
Fundamental areas of phenomenology (including applications)
Mechanical and acoustical properties of condensed matter
Mechanical properties of nanoscale materials
Molecular mechanics
Nanomechanics
Physics
Solid mechanics
Static elasticity
Static elasticity (thermoelasticity...)
Structural and continuum mechanics
Structural mechanics
Carbon nanotube
Molecular mechanics
Structural mechanics
Atomistic modeling
Force fields
Nanomechanics
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Summary:This paper presents a structural mechanics approach to modeling the deformation of carbon nanotubes. Fundamental to the proposed concept is the notion that a carbon nanotube is a geometrical frame-like structure and the primary bonds between two nearest-neighboring atoms act like load-bearing beam members, whereas an individual atom acts as the joint of the related load-bearing beam members. By establishing a linkage between structural mechanics and molecular mechanics, the sectional property parameters of these beam members are obtained. The accuracy and stability of the present method is verified by its application to graphite. Computations of the elastic deformation of single-walled carbon nanotubes reveal that the Young’s moduli of carbon nanotubes vary with the tube diameter and are affected by their helicity. With increasing tube diameter, the Young’s moduli of both armchair and zigzag carbon nanotubes increase monotonically and approach the Young’s modulus of graphite. These findings are in good agreement with the existing theoretical and experimental results.
Bibliography:ObjectType-Article-2
SourceType-Scholarly Journals-1
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ISSN:0020-7683
1879-2146
DOI:10.1016/S0020-7683(03)00056-8