Mechanics of carbon nanotubes: A continuum theory based on interatomic potentials

Hanqing Jiang*, Keh Chih Hwang, Young Huang

*Corresponding author for this work

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

It is commonly believed that continuum mechanics theories may not be applied at the nanoscale due to the discrete nature of atoms. We developed a nanoscale continuum theory based on interatomic potentials for nanostructured materials. The interatomic potential is directly incorporated into the continuum theory through the constitutive models. The nanoscale continuum theory is then applied to study the mechanical deformation and thermal properties of carbon nanotubes, including (1) pre-deformation energy; (2) linear elastic modulus; (3) fracture nucleation; (4) defect nucleation; (5) electrical property change due to mechanical deformation; (6) specific heat; and (7) coefficient of thermal expansion. The nanoscale continuum theory agrees very well with the experiments and atomistic simulations without any parameter fitting, and therefore has the potential to be utilized to complex nanoscale material systems (e.g., nanocomposites) and devices (e.g., nanoelectronics).

Original languageEnglish (US)
Pages (from-to)11-20
Number of pages10
JournalKey Engineering Materials
Volume340-341 I
StatePublished - Apr 16 2007

Fingerprint

Carbon Nanotubes
Carbon nanotubes
Mechanics
Nucleation
Continuum mechanics
Nanoelectronics
Constitutive models
Nanostructured materials
Specific heat
Thermal expansion
Nanocomposites
Electric properties
Thermodynamic properties
Elastic moduli
Atoms
Defects
Experiments

Keywords

  • Carbon nanotube
  • Continuum theory
  • Interatomic potential
  • Nanomechanics

ASJC Scopus subject areas

  • Materials Science(all)
  • Mechanics of Materials
  • Mechanical Engineering

Cite this

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abstract = "It is commonly believed that continuum mechanics theories may not be applied at the nanoscale due to the discrete nature of atoms. We developed a nanoscale continuum theory based on interatomic potentials for nanostructured materials. The interatomic potential is directly incorporated into the continuum theory through the constitutive models. The nanoscale continuum theory is then applied to study the mechanical deformation and thermal properties of carbon nanotubes, including (1) pre-deformation energy; (2) linear elastic modulus; (3) fracture nucleation; (4) defect nucleation; (5) electrical property change due to mechanical deformation; (6) specific heat; and (7) coefficient of thermal expansion. The nanoscale continuum theory agrees very well with the experiments and atomistic simulations without any parameter fitting, and therefore has the potential to be utilized to complex nanoscale material systems (e.g., nanocomposites) and devices (e.g., nanoelectronics).",
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Mechanics of carbon nanotubes : A continuum theory based on interatomic potentials. / Jiang, Hanqing; Hwang, Keh Chih; Huang, Young.

In: Key Engineering Materials, Vol. 340-341 I, 16.04.2007, p. 11-20.

Research output: Contribution to journalArticle

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T2 - A continuum theory based on interatomic potentials

AU - Jiang, Hanqing

AU - Hwang, Keh Chih

AU - Huang, Young

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N2 - It is commonly believed that continuum mechanics theories may not be applied at the nanoscale due to the discrete nature of atoms. We developed a nanoscale continuum theory based on interatomic potentials for nanostructured materials. The interatomic potential is directly incorporated into the continuum theory through the constitutive models. The nanoscale continuum theory is then applied to study the mechanical deformation and thermal properties of carbon nanotubes, including (1) pre-deformation energy; (2) linear elastic modulus; (3) fracture nucleation; (4) defect nucleation; (5) electrical property change due to mechanical deformation; (6) specific heat; and (7) coefficient of thermal expansion. The nanoscale continuum theory agrees very well with the experiments and atomistic simulations without any parameter fitting, and therefore has the potential to be utilized to complex nanoscale material systems (e.g., nanocomposites) and devices (e.g., nanoelectronics).

AB - It is commonly believed that continuum mechanics theories may not be applied at the nanoscale due to the discrete nature of atoms. We developed a nanoscale continuum theory based on interatomic potentials for nanostructured materials. The interatomic potential is directly incorporated into the continuum theory through the constitutive models. The nanoscale continuum theory is then applied to study the mechanical deformation and thermal properties of carbon nanotubes, including (1) pre-deformation energy; (2) linear elastic modulus; (3) fracture nucleation; (4) defect nucleation; (5) electrical property change due to mechanical deformation; (6) specific heat; and (7) coefficient of thermal expansion. The nanoscale continuum theory agrees very well with the experiments and atomistic simulations without any parameter fitting, and therefore has the potential to be utilized to complex nanoscale material systems (e.g., nanocomposites) and devices (e.g., nanoelectronics).

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