Finite element simulation for estimating the mechanical properties of multi-walled carbon nanotubes

C. W. Fan, Y. Y. Liu, Chyanbin Hwu

Research output: Contribution to journalArticle

65 Citations (Scopus)

Abstract

A finite element simulation technique for estimating the mechanical properties of multi-walled carbon nanotubes is developed. In the present modeling concept, individual carbon nanotube is simulated as a frame-like structure and the primary bonds between two nearest-neighboring atoms are treated as beam elements, the beam element properties are determined via the concept of energy equivalence between molecular dynamics and structural mechanics. As to the simulation of the interlayer van der Waals force which has intrinsic nonlinearity and complicated applying region, a simplifying method is proposed that the interlayer pressure caused by van der Waals force instead of the force itself is to be considered, and we make use of the linear part of the interlayer pressure near the equilibrium condition to avoid the nonlinearity in problem, then linear spring elements whose stiffness is determined by equivalent force concept can be utilized to simulate the interlayer van der Waals force such that significant modeling and computing effort is saved in performing the finite element analysis. Numerical examples for estimating the mechanical properties of nanotubes, such as axial and radial Young's modulus, shear modulus, natural frequency, buckling load, etc., are presented to illustrate the accuracy of this simulation technique. By comparing to the results found in the literature and the possible analytical solutions, it shows that the obtained mechanical properties of nanotubes by the present method agree well with their comparable results. In addition, the relations between these mechanical properties and the nanotube size are also discussed.

Original languageEnglish
Pages (from-to)819-831
Number of pages13
JournalApplied Physics A: Materials Science and Processing
Volume95
Issue number3
DOIs
Publication statusPublished - 2009 Jun 1

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Carbon Nanotubes
Van der Waals forces
Carbon nanotubes
Nanotubes
Mechanical properties
Elastic moduli
Buckling
Molecular dynamics
Loads (forces)
Natural frequencies
Mechanics
Stiffness
Finite element method
Atoms

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Materials Science(all)

Cite this

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Finite element simulation for estimating the mechanical properties of multi-walled carbon nanotubes. / Fan, C. W.; Liu, Y. Y.; Hwu, Chyanbin.

In: Applied Physics A: Materials Science and Processing, Vol. 95, No. 3, 01.06.2009, p. 819-831.

Research output: Contribution to journalArticle

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