Why do grain boundaries exhibit finite facet lengths?

J. C. Hamilton, Donald J. Siegel, Istvan Daruka, François Léonard

Research output: Contribution to journalArticle

23 Citations (Scopus)

Abstract

Elasticity theory, density-functional theory (DFT), and embedded-atom method (EAM) calculations were combined to show that the conventional energetic argument cannot possibly account for the experimental observations of finite facet lengths for the aluminum GB with average [11̄0] orientation. Using DFT and EAM, it was shown that the actual stress for the aluminum GB is much smaller than the threshold value, causing the equilibrium facet length to tend to infinity. Finally, this was confirmed by EAM calculations of the total energy as a function of facet length for the aluminum bicrystal with multiple GB facets.

Original languageEnglish
JournalPhysical Review Letters
Volume90
Issue number24
Publication statusPublished - Jun 20 2003

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embedded atom method
flat surfaces
grain boundaries
aluminum
density functional theory
bicrystals
infinity
elastic properties
thresholds
energy

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Hamilton, J. C., Siegel, D. J., Daruka, I., & Léonard, F. (2003). Why do grain boundaries exhibit finite facet lengths? Physical Review Letters, 90(24).

Why do grain boundaries exhibit finite facet lengths? / Hamilton, J. C.; Siegel, Donald J.; Daruka, Istvan; Léonard, François.

In: Physical Review Letters, Vol. 90, No. 24, 20.06.2003.

Research output: Contribution to journalArticle

Hamilton, JC, Siegel, DJ, Daruka, I & Léonard, F 2003, 'Why do grain boundaries exhibit finite facet lengths?', Physical Review Letters, vol. 90, no. 24.
Hamilton JC, Siegel DJ, Daruka I, Léonard F. Why do grain boundaries exhibit finite facet lengths? Physical Review Letters. 2003 Jun 20;90(24).
Hamilton, J. C. ; Siegel, Donald J. ; Daruka, Istvan ; Léonard, François. / Why do grain boundaries exhibit finite facet lengths?. In: Physical Review Letters. 2003 ; Vol. 90, No. 24.
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