Impact of defects on percolation in random sequential adsorption of linear k-mers on square lattice

TL;DR

This study uses Monte Carlo simulations to analyze how defects affect percolation in the random sequential adsorption of linear $k$-mers on a square lattice, revealing a critical length beyond which percolation is impossible.

Contribution

It introduces two models for defect effects on percolation in $k$-mers and quantifies the critical defect concentration preventing percolation for very long $k$-mers.

Findings

Percolation is blocked at high defect concentrations for long $k$-mers.

Critical defect concentration decreases with increasing $k$, following specific functions.

Percolation becomes impossible for $k$ exceeding approximately 6000, even without defects.

Abstract

The effect of defects on the percolation of linear $k$-mers (particles occupying $k$ adjacent sites) on a square lattice is studied by means of Monte Carlo simulation. The $k$-mers are deposited using a random sequential adsorption mechanism. Two models, $L_d$ and $K_d$, are analyzed. In the $L_d$ model, it is assumed that the initial square lattice is non-ideal and some fraction of sites, $d$, is occupied by non-conducting point defects (impurities). In the $K_d$ model, the initial square lattice is perfect. However, it is assumed that some fraction of the sites in the $k$-mers, $d$, consists of defects, i.e., are non-conducting. The length of the $k$-mers, $k$, varies from 2 to 256. Periodic boundary conditions are applied to the square lattice. The dependencies of the percolation threshold concentration of the conducting sites, $p_c$, vs the concentration of defects, $d$, were analyzed for different values of $k$. Above some critical concentration of defects, $d_m$, percolation is blocked in both models, even at the jamming concentration of $k$-mers. For long $k$-mers, the values of $d_m$ are well fitted by the functions $d_m \propto k_m^{-\alpha}-k^{-\alpha}$ ($\alpha = 1.28 \pm 0.01$, $k_m = 5900 \pm 500$) and $d_m \propto \log (k_m/k)$ ($k_m = 4700 \pm 1000$ ), for the $L_d$ and $K_d$ models, respectively. Thus, our estimation indicates that the percolation of $k$-mers on a square lattice is impossible even for a lattice without any defects if $k\gtrapprox 6 \times 10^3$.