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Changing shapes in the nanoworld

Combe1, Jensen, Pimpinelli

  • 1Departement de Physique des Materiaux, UMR CNRS 5586, Universite Claude Bernard Lyon-1, 69622 Villeurbanne Cedex, France.

Physical Review Letters
|September 16, 2000
PubMed
Summary

Crystallite shape relaxation mechanisms differ significantly below and above the roughening temperature. Below this temperature, nucleation governs kinetics, leading to slower relaxation times for larger crystallites.

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Area of Science:

  • Materials Science
  • Surface Science
  • Crystallography

Background:

  • Understanding crystallite shape relaxation is crucial for controlling material properties.
  • Traditional theories often assume surface diffusion as the primary equilibration mechanism.

Purpose of the Study:

  • To investigate the mechanisms governing the shape relaxation of three-dimensional crystallites.
  • To determine the temperature-dependent kinetics of crystallite equilibration.

Main Methods:

  • Kinetic Monte Carlo (KMC) simulations were employed.
  • Simulations focused on face-centered cubic (fcc) clusters.

Main Results:

  • Surface diffusion is the dominant mechanism for equilibration at high temperatures.
  • Below the roughening temperature, relaxation is significantly slower.
  • Kinetics are governed by critical germ nucleation on facets.
  • The energy barrier for nucleation increases linearly with crystallite size.

Conclusions:

  • The study reveals distinct shape relaxation mechanisms above and below the roughening temperature.
  • Crystallite size exponentially influences relaxation time below the roughening temperature.
  • This finding has implications for controlling nanostructure evolution.

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