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Microscopic kinetics and time-dependent structure factors.

T Aspelmeier1, B Schmittmann, R K Zia

  • 1Center for Stochastic Processes in Science and Engineering and Department of Physics, Virginia Tech, Blacksburg, Virginia 24061-0435, USA.

Physical Review Letters
|August 11, 2001
PubMed
Summary
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Microscopic disordering mechanisms like Kawasaki dynamics (KD) and vacancy-mediated disordering (VMD) significantly impact structure factor (SF) evolution. Unexpected dips in SFs were observed, with distinct patterns for KD and VMD, highlighting differences in these dynamics.

Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Computational Materials Science

Background:

  • The time evolution of structure factors (SF) during the disordering of phase-separated lattices is sensitive to the underlying microscopic disordering mechanism.
  • Key mechanisms include Kawasaki dynamics (KD) and vacancy-mediated disordering (VMD), each potentially leading to distinct structural evolution pathways.

Purpose of the Study:

  • To investigate the influence of different microscopic disordering mechanisms (KD and VMD) on the time evolution of structure factors (SF) in a phase-separated lattice.
  • To explain the observed unexpected 'dips' in SFs and differentiate between the effects of KD and VMD.

Main Methods:

  • Utilized Monte Carlo simulations to model the disordering process and observe the time evolution of structure factors.

Related Experiment Videos

  • Developed a phenomenological model to explain the dips observed in odd SFs.
  • Derived an analytical solution for Kawasaki dynamics (KD) to compare with simulation results.

    • Main Results:

    • Monte Carlo simulations revealed unexpected 'dips' in the structure factors during the disordering process.
    • A phenomenological model successfully explained the dips in odd SFs, showing excellent agreement with analytical solutions for KD.
    • A key difference was observed: even SFs exhibited dips for VMD but not for KD, indicating a fundamental distinction between the dynamics.

    Conclusions:

    • The microscopic disordering mechanism critically determines the time evolution of structure factors and the occurrence of SF dips.
    • The developed phenomenological model and analytical solution provide a robust explanation for KD-induced SF dips.
    • The distinct behavior of even SFs in VMD versus KD represents a significant, yet not fully understood, difference between these disordering pathways.