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Structural crossover in dense irreversibly aggregating particulate systems.

D Fry1, A Chakrabarti, W Kim

  • 1Department of Physics, Cardwell Hall, Kansas State University, Manhattan, Kansas 66506-2601, USA. dan.fry@nist.gov

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|July 13, 2004
PubMed
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Simulations reveal dense cluster aggregation forms hybrid structures. The largest clusters, termed superaggregates, exhibit distinct fractal dimensions at different length scales, differing from theoretical predictions when cluster sizes vary.

Area of Science:

  • Physical Chemistry
  • Materials Science
  • Computational Physics

Background:

  • Cluster aggregation is fundamental to material formation.
  • Understanding fractal structures in dense systems is crucial.
  • Previous models often simplify cluster size distributions.

Purpose of the Study:

  • To investigate the structural evolution of aggregating clusters under various conditions.
  • To characterize the fractal nature of large clusters in dense aggregation regimes.
  • To compare simulation results with theoretical predictions for crossover phenomena.

Main Methods:

  • Off-lattice Monte Carlo simulations were employed.
  • Simulations covered diffusion-limited (DLCA), ballistic-limited, and reaction-limited aggregation.

Related Experiment Videos

  • Analysis focused on fractal dimensions and crossover lengths.

    • Main Results:

    • Dense systems form largest clusters with hybrid structures.
    • A mass fractal dimension of approximately 2.6 was observed at large length scales.
    • Smaller length scales retain early-time dilute-limit fractal structures, forming 'superaggregates'.

    Conclusions:

    • The largest clusters are aggregates of smaller aggregates with distinct fractal properties.
    • A critical radius of gyration defines the crossover length between morphologies.
    • Theoretical predictions for this crossover align with DLCA simulations but deviate when cluster size polydispersity increases.