Thermodynamics of yield in boron nitride nanotubes

Traian Dumitrică, Holger F. Bettinger, Gustavo E. Scuseria, Boris I. Yakobson

Research output: Contribution to journalArticlepeer-review

60 Scopus citations

Abstract

We investigate the atomistic mechanism of yield to mechanical tension in boron nitride nanotubes. The formation energy of the first emerging defect is computed by accurate ab initio calculations. Its susceptibilities to mechanical tension is further evaluated in an economical fashion, when only load-free clusters need to be considered. The obtained thermodynamic threshold is above that of the homologuous carbon system, whose exceptional resistance to mechanical yield is already recognized.

Original languageEnglish (US)
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume68
Issue number8
DOIs
StatePublished - 2003
Externally publishedYes

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