Elasticity theory of topological defects in carbon nanotubes and graphene

E. Ertekin; M. S. Daw; D. C. Chrzan

doi:10.1080/09500830701822104

Elasticity theory of topological defects in carbon nanotubes and graphene

E. Ertekin, M. S. Daw, D. C. Chrzan

Research output: Contribution to journal › Article › peer-review

Abstract

We develop elasticity theory to predict the energies of topological defects in carbon nanostructures. The theory is a simple, quantitatively accurate and transferable continuum approach to predicting defect formation energies that obviates the need for computationally expensive quantum mechanical methods. Thus the theory has the potential to serve as the basis for thermodynamic and multi-scale modelling of the structural properties of carbon nanostructures.

Original language	English (US)
Pages (from-to)	159-167
Number of pages	9
Journal	Philosophical Magazine Letters
Volume	88
Issue number	2
DOIs	https://doi.org/10.1080/09500830701822104
State	Published - Feb 2008
Externally published	Yes

ASJC Scopus subject areas

Condensed Matter Physics

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10.1080/09500830701822104

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title = "Elasticity theory of topological defects in carbon nanotubes and graphene",

abstract = "We develop elasticity theory to predict the energies of topological defects in carbon nanostructures. The theory is a simple, quantitatively accurate and transferable continuum approach to predicting defect formation energies that obviates the need for computationally expensive quantum mechanical methods. Thus the theory has the potential to serve as the basis for thermodynamic and multi-scale modelling of the structural properties of carbon nanostructures.",

author = "E. Ertekin and Daw, {M. S.} and Chrzan, {D. C.}",

note = "Funding Information: The authors acknowledge insightful discussions with J. Grossman. EE acknowledges the support of the Intel Corporation. EE and DCC acknowledge the support of the National Science Foundation under contract DMR 0528511. The authors acknowledge the support of the US Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-05CH11231. Computing resources from the DOE National Energy Research Scientific Computing Center are also acknowledged.",

year = "2008",

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AU - Ertekin, E.

AU - Daw, M. S.

AU - Chrzan, D. C.

N1 - Funding Information: The authors acknowledge insightful discussions with J. Grossman. EE acknowledges the support of the Intel Corporation. EE and DCC acknowledge the support of the National Science Foundation under contract DMR 0528511. The authors acknowledge the support of the US Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-05CH11231. Computing resources from the DOE National Energy Research Scientific Computing Center are also acknowledged.

PY - 2008/2

Y1 - 2008/2

N2 - We develop elasticity theory to predict the energies of topological defects in carbon nanostructures. The theory is a simple, quantitatively accurate and transferable continuum approach to predicting defect formation energies that obviates the need for computationally expensive quantum mechanical methods. Thus the theory has the potential to serve as the basis for thermodynamic and multi-scale modelling of the structural properties of carbon nanostructures.

AB - We develop elasticity theory to predict the energies of topological defects in carbon nanostructures. The theory is a simple, quantitatively accurate and transferable continuum approach to predicting defect formation energies that obviates the need for computationally expensive quantum mechanical methods. Thus the theory has the potential to serve as the basis for thermodynamic and multi-scale modelling of the structural properties of carbon nanostructures.

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Elasticity theory of topological defects in carbon nanotubes and graphene

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