### 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 language | English (US) |
---|---|

Pages (from-to) | 11-20 |

Number of pages | 10 |

Journal | Key Engineering Materials |

Volume | 340-341 I |

State | Published - 2007 |

### Fingerprint

### Keywords

- Carbon nanotube
- Continuum theory
- Interatomic potential
- Nanomechanics

### ASJC Scopus subject areas

- Ceramics and Composites
- Chemical Engineering (miscellaneous)

### Cite this

*Key Engineering Materials*,

*340-341 I*, 11-20.

**Mechanics of carbon nanotubes : A continuum theory based on interatomic potentials.** / Jiang, Hanqing; Hwang, Keh Chih; Huang, Young.

Research output: Contribution to journal › Article

*Key Engineering Materials*, vol. 340-341 I, pp. 11-20.

}

TY - JOUR

T1 - Mechanics of carbon nanotubes

T2 - A continuum theory based on interatomic potentials

AU - Jiang, Hanqing

AU - Hwang, Keh Chih

AU - Huang, Young

PY - 2007

Y1 - 2007

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).

KW - Carbon nanotube

KW - Continuum theory

KW - Interatomic potential

KW - Nanomechanics

UR - http://www.scopus.com/inward/record.url?scp=34147102840&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=34147102840&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:34147102840

VL - 340-341 I

SP - 11

EP - 20

JO - Key Engineering Materials

JF - Key Engineering Materials

SN - 1013-9826

ER -