Jamming of k3-mers of Different Sizes on a Cubic Lattice
DOI:
https://doi.org/10.17072/1993-0550-2026-2-130-141Keywords:
jamming, random sequential adsorption, jamming threshold, k3-mers, cubic blocks, cubic lattice, maximum packing, polydisperse systems, dense disordered structures, numerical simulationAbstract
A bidisperse model of random sequential adsorption (RSA) of k3-mers (cubic blocks) of different sizes on a cubic lattice with periodic boundary conditions is investigated. An adsorption algorithm is considered in which the system is first maximally filled with large k3-mers, after which the remaining free space is filled with small k3-mers. The aim of the study is to examine the influence of the system size and the size ratio of k3-mers on the jamming threshold.
Numerical simulations were performed over a wide range of model parameters for the size ratios klarge/ksmall = 2, 5, 10, 20. It is shown that the introduction of a second fraction of k3-mers leads to an increase in the jamming threshold. It is established that, for a fixed size ratio, the jamming threshold decreases monotonically with increasing klarge and approaches a limiting value, whereas an increase in the ratio klarge/ksmall results in a higher jamming threshold due to more efficient filling of voids by small k3-mers.
Limiting estimates of the jamming threshold and the concentration ratio of large and small k3-mers were obtained for klarge → ∞. The estimated jamming thresholds demonstrate a significant increase in the limiting packing concentration compared with the case of packing identical k3-mers in the limit k → ∞. The maximum estimated jamming threshold is pjam = 0.6561(3) for klarge/ksmall = 20, while the concentration ratio of large and small k3-mers is 1.8 : 1.
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