Mechanical and tribological properties of carbon nanotubes investigated with atomistic simulations

Boris Ni; Susan B. Sinnott

Mechanical and tribological properties of carbon nanotubes investigated with atomistic simulations

Boris Ni, Susan B. Sinnott

Materials Science and Engineering

Research output: Contribution to journal › Conference article › peer-review

4 Scopus citations

Abstract

Atomistic simulations are used to better understand the behavior of bundles of single-walled carbon nanotubes that have been placed between two sliding diamond surfaces. A many-body reactive empirical potential for hydrocarbons that has been coupled to a Lennard-Jones potential is used to determine the energies and forces for all the atoms in the simulations. The results indicate that the degree of compression of the nanotube bundle between the nanotubes has a significant effect on the responses of the nanotubes to shear forces. However, no rolling of the nanotubes is predicted in contrast to previous studies of individual nanotubes moving on graphite.

Original language	English (US)
Pages (from-to)	A1731-A1735
Journal	Materials Research Society Symposium - Proceedings
Volume	633
State	Published - 2001
Event	Nanotubes and Related Materials - Boston, MA, United States Duration: Nov 27 2000 → Nov 30 2000

All Science Journal Classification (ASJC) codes

General Materials Science
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering

Cite this

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title = "Mechanical and tribological properties of carbon nanotubes investigated with atomistic simulations",

abstract = "Atomistic simulations are used to better understand the behavior of bundles of single-walled carbon nanotubes that have been placed between two sliding diamond surfaces. A many-body reactive empirical potential for hydrocarbons that has been coupled to a Lennard-Jones potential is used to determine the energies and forces for all the atoms in the simulations. The results indicate that the degree of compression of the nanotube bundle between the nanotubes has a significant effect on the responses of the nanotubes to shear forces. However, no rolling of the nanotubes is predicted in contrast to previous studies of individual nanotubes moving on graphite.",

author = "Boris Ni and Sinnott, {Susan B.}",

note = "Funding Information: This work was supported by the Advanced Carbon Materials Center at the University of Kentucky which is funded by the National Science Foundation (DMR-9809686) and by the NASA Ames Research Center.; Nanotubes and Related Materials ; Conference date: 27-11-2000 Through 30-11-2000",

year = "2001",

language = "English (US)",

volume = "633",

pages = "A1731--A1735",

journal = "Materials Research Society Symposium - Proceedings",

issn = "0272-9172",

publisher = "Materials Research Society",

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TY - JOUR

T1 - Mechanical and tribological properties of carbon nanotubes investigated with atomistic simulations

AU - Ni, Boris

AU - Sinnott, Susan B.

N1 - Funding Information: This work was supported by the Advanced Carbon Materials Center at the University of Kentucky which is funded by the National Science Foundation (DMR-9809686) and by the NASA Ames Research Center.

PY - 2001

Y1 - 2001

N2 - Atomistic simulations are used to better understand the behavior of bundles of single-walled carbon nanotubes that have been placed between two sliding diamond surfaces. A many-body reactive empirical potential for hydrocarbons that has been coupled to a Lennard-Jones potential is used to determine the energies and forces for all the atoms in the simulations. The results indicate that the degree of compression of the nanotube bundle between the nanotubes has a significant effect on the responses of the nanotubes to shear forces. However, no rolling of the nanotubes is predicted in contrast to previous studies of individual nanotubes moving on graphite.

AB - Atomistic simulations are used to better understand the behavior of bundles of single-walled carbon nanotubes that have been placed between two sliding diamond surfaces. A many-body reactive empirical potential for hydrocarbons that has been coupled to a Lennard-Jones potential is used to determine the energies and forces for all the atoms in the simulations. The results indicate that the degree of compression of the nanotube bundle between the nanotubes has a significant effect on the responses of the nanotubes to shear forces. However, no rolling of the nanotubes is predicted in contrast to previous studies of individual nanotubes moving on graphite.

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M3 - Conference article

AN - SCOPUS:0035557388

SN - 0272-9172

VL - 633

SP - A1731-A1735

JO - Materials Research Society Symposium - Proceedings

JF - Materials Research Society Symposium - Proceedings

T2 - Nanotubes and Related Materials

Y2 - 27 November 2000 through 30 November 2000

ER -

Mechanical and tribological properties of carbon nanotubes investigated with atomistic simulations

Abstract

All Science Journal Classification (ASJC) codes

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