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Simulation study of anisotropic random sequential adsorption of extended objects on a triangular lattice.

Lj Budinski-Petković1, I Lončarević, Z M Jakšić

  • 1Faculty of Engineering, Trg D. Obradovića 6, Novi Sad 21000, Serbia.

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
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Anisotropic random sequential adsorption (RSA) on a lattice shows jamming coverage depends on object shape. Elongated shapes are affected by anisotropy, while rounded shapes are not, impacting relaxation time.

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Area of Science:

  • Physics
  • Materials Science
  • Statistical Mechanics

Background:

  • Random sequential adsorption (RSA) is a fundamental process in materials science.
  • Understanding lattice-based adsorption is crucial for designing new materials and coatings.
  • Anisotropy, or direction-dependent properties, can significantly alter adsorption behavior.

Purpose of the Study:

  • To numerically investigate the effects of anisotropy on random sequential adsorption (RSA) on a 2D triangular lattice.
  • To analyze how object shape and anisotropy influence jamming coverage and relaxation time.
  • To explore anisotropic RSA in polydisperse mixtures of k-mers.

Main Methods:

  • Monte Carlo simulations were employed to model the anisotropic RSA process.
  • Objects were formed by self-avoiding lattice steps, with orientation determined by the first step.
  • Unequal probabilities were assigned for object orientation along different lattice directions to introduce anisotropy.

Main Results:

  • Coverage approaches jamming limit exponentially: θ(jam) - θ(t) ∝ exp(-t/σ).
  • Relaxation time (σ) increases with anisotropy for elongated/asymmetrical shapes, but is unaffected for rounded/symmetrical shapes.
  • Anisotropic RSA of k-mer mixtures shows strong dependencies on anisotropy, increasing the contribution of longer k-mers.

Conclusions:

  • Anisotropy's impact on jamming coverage and relaxation time is shape-dependent.
  • Anisotropic constraints favor longer k-mers in polydisperse mixtures, altering coverage fractions.
  • The study provides insights into controlling adsorption processes through anisotropic conditions.