Strain in layered nanocrystals

Y. Bae, Russel Caflisch

Research output: Contribution to journalArticle

Abstract

Layered nanocrystals consist of a core of one material surrounded by a shell of a second material. We present computation of the atomistic strain energy density in a layered nanocrystal, using an idealised model with a simple cubic lattice and harmonic interatomic potentials. These computations show that there is a critical size r*s for the shell thickness r s at which the energy density has a maximum. This critical size is roughly independent of the geometry and material parameters of the system. Interestingly, this critical size agrees with the shell thickness at which the quantum yield has a maximum, as observed in several systems and thus leads one to support the hypothesis that maximal quantum yield, is strongly correlated with maximal elastic energy density.

Original languageEnglish (US)
Pages (from-to)571-582
Number of pages12
JournalEuropean Journal of Applied Mathematics
Volume18
Issue number5
DOIs
StatePublished - 2007

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Nanocrystals
Shell
Quantum yield
Energy Density
Interatomic Potential
Strain Energy Density
Strain energy
Harmonic
Geometry
Model

ASJC Scopus subject areas

  • Mathematics(all)
  • Applied Mathematics

Cite this

Strain in layered nanocrystals. / Bae, Y.; Caflisch, Russel.

In: European Journal of Applied Mathematics, Vol. 18, No. 5, 2007, p. 571-582.

Research output: Contribution to journalArticle

Bae, Y. ; Caflisch, Russel. / Strain in layered nanocrystals. In: European Journal of Applied Mathematics. 2007 ; Vol. 18, No. 5. pp. 571-582.
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