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The Phase Diagram for Percolating Free Surfaces in Disordered Assemblies of Faceted Grains

D. J. Priour

Abstract

Percolation in systems made up of randomly placed impermeable grains is often examined in the context of system spanning clusters of connected solids forming above a relatively low critical grain density $ρ_{c1}$ or networks of interstitial void volumes ceasing to exist above a signficantly higher threshold $ρ_{c2}$. In this work, we interpret these percolation transitions as, respectively, the low and high density boundaries of percolating exposed surfaces which either ensheath clusters of impermeable particles or line tunnel-like voids. Moreover, we find in the thermodynamic limit exposed surfaces are either sheaths or tunnels with a second order phase transition from the former to the latter at a density threshold $ρ_{c*}$ intermediate between $ρ_{c1}$ and $ρ_{c2}$. We calculate critical inclusion densities with a new method which identifies exposed free surfaces in a geometrically exact manner with a computational cost scaling only linearly in the system volume. We obtain $ρ_{c1}$, $ρ_{c2}$, and $ρ_{c*}$ for a variety of grain geometries, including each of the Platonic solids, truncated icosahedra, and structurally disordered inclusions formed from cubes subject to a random sequence of slicing planes. In the case of the latter, we find a limiting value of $5\%$ for the critical porosity at the void percolation threshold as the number of sustained slices per cube becomes large.

The Phase Diagram for Percolating Free Surfaces in Disordered Assemblies of Faceted Grains

Abstract

Percolation in systems made up of randomly placed impermeable grains is often examined in the context of system spanning clusters of connected solids forming above a relatively low critical grain density or networks of interstitial void volumes ceasing to exist above a signficantly higher threshold . In this work, we interpret these percolation transitions as, respectively, the low and high density boundaries of percolating exposed surfaces which either ensheath clusters of impermeable particles or line tunnel-like voids. Moreover, we find in the thermodynamic limit exposed surfaces are either sheaths or tunnels with a second order phase transition from the former to the latter at a density threshold intermediate between and . We calculate critical inclusion densities with a new method which identifies exposed free surfaces in a geometrically exact manner with a computational cost scaling only linearly in the system volume. We obtain , , and for a variety of grain geometries, including each of the Platonic solids, truncated icosahedra, and structurally disordered inclusions formed from cubes subject to a random sequence of slicing planes. In the case of the latter, we find a limiting value of for the critical porosity at the void percolation threshold as the number of sustained slices per cube becomes large.

Paper Structure

This paper contains 5 figures, 1 table.

Figures (5)

  • Figure 1: (Color online) Percolating free surfaces in the case of randomly oriented cube shaped grains shown near $\rho_{c1}$ in panel (a) and near $\rho_{c2}$ in panel (b).
  • Figure 2: (Color online) $\langle f \rangle$ for $\rho_{c1}$ and $\rho_{c2}$ are shown in panel (a) and (b), respectively for the case of randomly oriented cubes; panels (c) and (d) show the corresponding data collapses.
  • Figure 3: (Color online) Sheath/tunnel transition results are shown for the case of randomly oriented cubes. The main plot in panel (a) displays the tunnel prevalence parameter for various system sizes, while the inset shows the same results in a data collapse graph. The RMS discrepancy parameter is shown in panel (b), and is plotted in the form of a data collapse in panel (c).
  • Figure 4: (Color online) Panel (a), (b), and (c) depict sample assemblies of grains for various numbers of sustained slices $N_{\mathrm{sust}}$. The graph in panel (d) is a frequency plot for facet number for a range of $N_{\mathrm{sust}}$ values. Panels (e) and (f) show a portion of a percolating free surface near $\rho_{c1}$ and $\rho_{c2}$ for the $N_{\mathrm{sust}}$ values indicated.
  • Figure 5: (color online) Critical concentrations are shown in panels (a), (b), and (c) for $\phi_{c2} = e^{-\eta_{c2}}$ in the case of void percolation transitions, for percolation transitions of overlapping fragments, and for the sheath/tunnel transition respectively. Lines are guides to the eye, and Monte Carlo statistical errors are smaller than the symbol sizes. Panel (d) shows the critical exponent $\nu_{*}$ with respect to $N_{\mathrm{sust}}$.