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Related Experiment Videos

Aluminium diffusion in decagonal quasicrystals.

S Hocker1, F Gähler

  • 1Institut für Theoretische und Angewandte Physik, Universität Stuttgart, D-70550 Stuttgart, Germany.

Physical Review Letters
|August 25, 2004
PubMed
Summary

Aluminum diffusion in quasicrystals is significant at high temperatures, occurring directly without vacancies. This high mobility impacts structure determination and diffuse scattering, confirmed by simulations.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Crystallography

Background:

  • Aluminum is a major component in many quasicrystals.
  • Understanding aluminum's mobility is crucial due to its expected high diffusivity.
  • Experimental data on aluminum diffusion in quasicrystals is scarce.

Purpose of the Study:

  • To investigate aluminum diffusion in decagonal Al-Ni-Co and Al-Cu-Co quasicrystals.
  • To determine diffusion constants, activation enthalpies, and activation volumes.
  • To elucidate the diffusion mechanism in these materials.

Main Methods:

  • Molecular dynamics (MD) simulations using classical effective pair potentials.
  • Simulations conducted at temperatures above two-thirds of the melting point.
  • Ab initio simulations to qualitatively confirm dynamic behaviors.

Main Results:

  • Significant aluminum diffusion observed at elevated temperatures.
  • Diffusion constant measured as a function of temperature and pressure.
  • Anisotropic diffusion confirmed, occurring via a direct mechanism due to the absence of vacancies.
  • Activation enthalpies and volumes successfully determined.

Conclusions:

  • Aluminum exhibits high mobility in decagonal quasicrystals at high temperatures.
  • The diffusion mechanism is direct and anisotropic, not vacancy-mediated.
  • Findings are relevant for quasicrystal structure determination and understanding diffuse scattering phenomena.

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