Standard and inverse site percolation of triangular tiles on triangular lattices: Isotropic and perfectly oriented deposition and removal.

Numerical simulations and finite-size scaling analysis have been carried out to study standard and inverse percolation of triangular tiles of side k (k-tiles) on triangular lattices. In the case of standard percolation, the lattice is initially empty. Then, k-tiles are randomly and sequentially deposited on the lattice. In the case of inverse percolation, the process starts with an initial configuration where all lattice sites are occupied by single monomers (each monomer occupies one lattice site) and, consequently, the opposite sides of the lattice are connected by nearest-neighbor occupied sites. Then, the system is diluted by randomly removing k-tiles [composed by k(k+1)/2 monomers] from the lattice. Two schemes are used for the depositing and removing process: the isotropic scheme, where the deposition (removal) of the objects occurs with the same probability in any lattice direction; and the anisotropic (perfectly oriented or nematic) scheme, where one lattice direction is privileged for depositing (removing) the tiles. The study is conducted by following the behavior of four critical concentrations with the size k: (i) [(ii)] standard isotropic (oriented) percolation threshold θ_{c,k} (ϑ_{c,k}), which represents the minimum concentration of occupied sites at which an infinite cluster of occupied nearest-neighbor sites extends from one side of the system to the other. θ_{c,k} (ϑ_{c,k}) is reached by isotropic (oriented) deposition of k-tiles on an initially empty lattice; and (iii) [(iv)] inverse isotropic (oriented) percolation threshold θ_{c,k}^{i} (ϑ_{c,k}^{i}), which corresponds to the maximum concentration of occupied sites for which connectivity disappears. θ_{c,k}^{i} (ϑ_{c,k}^{i}) is reached after removing isotropic (completely aligned) k-tiles from an initially fully occupied lattice. The obtained results indicate that (1)θ_{c,k} (θ_{c,k}^{i}) is an increasing (decreasing) function of k in the range 1≤k≤6. For k≥7, all jammed configurations are nonpercolating (percolating) states and, consequently, the percolation phase transition disappears. (2)ϑ_{c,k} (ϑ_{c,k}^{i}) show a behavior qualitatively similar to that observed for isotropic deposition. In this case, the minimum value of k at which the phase transition disappears is k=5. (3) For both isotropic and perfectly oriented models, the curves of standard and inverse percolation thresholds are symmetric to each other with respect to the line θ(ϑ)=0.5. Thus, a complementary property is found θ_{c,k}+θ_{c,k}^{i}=1 (and ϑ_{c,k}+ϑ_{c,k}^{i}=1), which has not been observed in other regular lattices. (4) Finally, in all cases, the jamming exponent ν_{j} was measured, being ν_{j}=1 regardless of the orientation (isotropic or nematic) or the size k considered. In addition, the accurate determination of the critical exponents ν, ß, and γ reveals that the percolation phase transition involved in the system, which occurs for k varying between one and five (three) for isotropic (nematic) deposition scheme, has the same universality class as the standard percolation problem.

Random sequential adsorption of self-avoiding chains on two-dimensional lattices.

Random sequential adsorption of extended objects deposited on two-dimensional regular lattices is studied. The depositing objects are chains formed by occupying adsorption sites on the substrate through a self-avoiding walk of k lattice steps; these objects are also called "tortuous k-mers." We study how the jamming coverage, θ_{j,k}, depends on k for lattices with different connectivity (honeycomb, square, and triangular). The dependence can be fitted by the function θ_{j,k}=θ_{j,k→∞}+B/k+C/k^{2}, where B and C are found to be shared parameters by the three lattices and θ_{j,k→∞} (>0) is the jamming coverage for infinitely long k-mers for each of them. The jamming coverage is found to have a growing behavior with the connectivity of the lattice. In addition, θ_{j,k} is found to be higher for tortuous k-mers than for the previously reported for linear k-mers in each lattice. The results were obtained by means of numerical simulation through an efficient algorithm whose characteristics are discussed in detail. The computational method introduced here also allows us to investigate the full-time kinetics of the surface coverage θ_{k}(t) [θ_{j,k}≡θ_{k}(t→∞)]. Along this line, different time regimes are identified and characterized.

Entropy-driven phases at high coverage adsorption of straight rigid rods on three-dimensional cubic lattices.

Combining Monte Carlo simulations and thermodynamic integration method, we study the configurational entropy per site of straight rigid rods of length k (k-mers) adsorbed on three-dimensional (3D) simple cubic lattices. The process is monitored by following the dependence of the lattice coverage θ on the chemical potential µ (adsorption isotherm). Then, we perform the integration of µ(θ) over θ to calculate the configurational entropy per site of the adsorbed phase s(k,θ) as a function of the coverage. Based on the behavior of the function s(k,θ), different phase diagrams are obtained according to the k values: k≤4, disordered phase; k=5,6, disordered and layered-disordered phases; and k≥7, disordered, nematic and layered-disordered phases. In the limit of θ→1 (full coverage), the configurational entropy per site is determined for values of k ranging between 2 and 8. For k≥6, MC data coincide (within the statistical uncertainty) with recent analytical predictions [D. Dhar and R. Rajesh, Phys. Rev. E 103, 042130 (2021)2470-004510.1103/PhysRevE.103.042130] for very large rods. This finding represents the first numerical validation of the expression obtained by Dhar and Rajesh for d-dimensional lattices with d>2. In addition, for k≥5, the values of s(k,θ→1) for simple cubic lattices are coincident with those values reported in [P. M. Pasinetti et al., Phys. Rev. E 104, 054136 (2021)2470-004510.1103/PhysRevE.104.054136] for two-dimensional (2D) square lattices. This is consistent with the picture that at high densities and k≥5, the layered-disordered phase is formed on the lattice. Under these conditions, the system breaks to 2D layers, and the adsorbed phase becomes essentially 2D. The 2D behavior of the fully covered lattice reinforces the conjecture that the large-k behavior of entropy per site is superuniversal, and holds on d-dimensional hypercubical lattices for all d≥2.

Inverse percolation by removing straight semirigid rods from bilayer square lattices.

Numerical simulations and finite-size scaling analysis have been carried out to study the problem of inverse percolation by removing semirigid rods from a L×L square lattice that contains two layers (and M=L×L×2 sites). The process starts with an initial configuration where all lattice sites are occupied by single monomers (each monomer occupies one lattice site) and, consequently, the opposite sides of the lattice are connected by nearest-neighbor occupied sites. Then the system is diluted by removing groups of k consecutive monomers according to a generalized random sequential adsorption mechanism. The study is conducted by following the behavior of two critical concentrations with size k: (1) jamming coverage θ_{j,k}, which represents the concentration of occupied sites at which the jamming state is reached, and (2) inverse percolation threshold θ_{c,k}, which corresponds to the maximum concentration of occupied sites for which connectivity disappears. The obtained results indicate that (1) the jamming coverage exhibits an increasing dependence on the size k-it rapidly increases for small values of k and asymptotically converges towards a definite value for infinitely large k sizes θ_{j,k→∞}≈0.2701-and (2) the inverse percolation threshold is a decreasing function of k in the range 1≤k≤17. For k≥18, all jammed configurations are percolating states (the lattice remains connected even when the highest allowed concentration of removed sites is reached) and, consequently, there is no nonpercolating phase. This finding contrasts with the results obtained in literature for a complementary problem, where straight rigid k-mers are randomly and irreversibly deposited on a square lattice forming two layers. In this case, percolating and nonpercolating phases extend to infinity in the space of the parameter k and the model presents percolation transition for the whole range of k. The results obtained in the present study were also compared with those reported for the case of inverse percolation by removal of rigid linear k-mers from a square monolayer. The differences observed between monolayer and bilayer problems were discussed in terms of vulnerability and network robustness. Finally, the accurate determination of the critical exponents ν, ß, and γ reveals that the percolation phase transition involved in the system has the same universality class as the standard percolation problem.

Orientational phase transition in monolayers of multipolar straight rigid rods: The case of 2-thiophene molecule adsorption on the Au(111) surface.

Monte Carlo simulations and finite-size scaling theory have been carried out to study the critical behavior and universality for the isotropic-nematic (IN) phase transition in a system of straight rigid pentamers adsorbed on a triangular lattice with polarized nonhomogeneous intermolecular interactions. The model was inspired by the deposition of 2-thiophene molecules over the Au(111) surface, which was previously characterized by experimental techniques and density functional theory. A nematic phase, observed experimentally by the formation of a self-assembled monolayer of parallel molecules, is separated from the isotropic state by a continuous transition occurring at a finite density. The precise determination of the critical exponents indicates that the transition belongs to the three-state Potts universality class. The finite-size scaling analysis includes the study of mutability and diversity. These two quantities are derived from information theory and they have not previously been considered as part of the conventional treatment of critical phenomena for the determination of critical exponents. The results obtained here contribute to the understanding of formation processes of self-assembled monolayers, phase transitions, and critical phenomena from novel compression algorithms for studying mutual information in sequences of data.

Entropy-driven phases at high coverage adsorption of straight rigid rods on two-dimensional square lattices.

Polymers are frequently deposited on different surfaces, which has attracted the attention of scientists from different viewpoints. In the present approach polymers are represented by rigid rods of length k (k-mers), and the substrate takes the form of an L×L square lattice whose lattice constant matches exactly the interspacing between consecutive elements of the k-mer chain. We briefly review the classical description of the nematic transition presented by this system for k≥7 observing that the high-coverage (θ) transition deserves a more careful analysis from the entropy point of view. We present a possible viewpoint for this analysis that justifies the phase transitions. Moreover, we perform Monte Carlo (MC) simulations in the grand canonical ensemble, supplemented by thermodynamic integration, to first calculate the configurational entropy of the adsorbed phase as a function of the coverage, and then to explore the different phases (and orientational transitions) that appear on the surface with increasing the density of adsorbed k-mers. In the limit of θ→1 (full coverage) the configurational entropy is obtained for values of k ranging between 2 and 10. MC data are discussed in comparison with recent analytical results [D. Dhar and R. Rajesh, Phys. Rev. E 103, 042130 (2021)2470-004510.1103/PhysRevE.103.042130]. The comparative study allows us to establish the applicability range of the theoretical predictions. Finally, the structure of the high-coverage phase is characterized in terms of the statistics of k×l domains (domains of l parallel k-mers adsorbed on the surface). A distribution of finite values of l (l≪L) is found with a predominance of k×1 (single k-mers) and k×k domains. The distribution is the same in each lattice direction, confirming that at high density the adsorbed phase goes to a state with mixed orientations and no orientational preference. An order parameter measuring the number of k×k domains in the adsorbed layer is introduced.

Surface growth during random and irreversible multilayer deposition of straight semirigid rods.

Surface growth properties during irreversible multilayer deposition of straight semirigid rods on linear and square lattices have been studied by Monte Carlo simulations and analytical considerations. The filling of the lattice is carried out following a generalized random sequential adsorption mechanism where the depositing objects can be adsorbed on the surface forming multilayers. The results of our simulations show that the roughness evolves in time following two different behaviors: an "homogeneous growth regime" at initial times, where the heights of the columns homogeneously increase, and a "segmented growth regime" at long times, where the adsorbed phase is segmented in actively growing columns and inactive nongrowing sites. Under these conditions, the surface growth generated by the deposition of particles of different sizes is studied. At long times, the roughness of the systems increases linearly with time, with growth exponent ß=1, at variance with a random deposition of monomers which presents a sublinear behavior (ß=1/2). The linear behavior is due to the segmented growth process, as we show using a simple analytical model.

Mean field approach applied to surface deposition on a modified electrode.

In this work we study the deposition phenomena on a modified electrode in the framework of the mean field theory. The electrode surface is modified by irreversible deposition of impurities which can block a fraction of the adsorption sites. Then, an electroactive species is allowed to adsorb on the accessible sites, transferring electric charge and generating a current that can be calculated and measured. Nearest-neighbor lateral interactions are considered both between electroactive particles and between particles and impurities. A modified Bragg-Williams theoretical approach considers both the blocking effects of impurities and the lateral interactions, through different concentrations of impurities and particles. The analysis is based on the study of adsorption isotherms and voltammograms, considering different interaction energies and impurity concentrations. The potentialities and limitations of the analytical approximation are discussed by comparing theoretical predictions with Monte Carlo simulations and experimental measurements in which artificial clay represents the impurity and a [Fe(CN)6]4 redox probe is the species that transfers the charge.

Standard and inverse site percolation of straight rigid rods on triangular lattices: Isotropic and perfectly oriented deposition and removal.

Numerical simulations and finite-size scaling analysis have been carried out to study standard and inverse percolation of straight rigid rods on triangular lattices. In the case of standard percolation, the lattice is initially empty. Then, linear k-mers (particles occupying k consecutive sites along one of the lattice directions) are randomly and sequentially deposited on the lattice. In the case of inverse percolation, the process starts with an initial configuration where all lattice sites are occupied by single monomers (each monomer occupies one lattice site) and, consequently, the opposite sides of the lattice are connected by nearest-neighbor occupied sites. Then the system is diluted by randomly removing sets of k consecutive monomers (linear k-mers) from the lattice. Two schemes are used for the depositing/removing process: an isotropic scheme, where the deposition (removal) of the linear objects occurs with the same probability in any lattice direction, and an anisotropic (perfectly oriented) scheme, where one lattice direction is privileged for depositing (removing) the particles. The study is conducted by following the behavior of four critical concentrations with size k: (i) [(ii)] standard isotropic[oriented] percolation threshold θ_{c,k}[ϑ_{c,k}], which represents the minimum concentration of occupied sites at which an infinite cluster of occupied nearest-neighbor sites extends from one side of the system to the other. θ_{c,k}[ϑ_{c,k}] is reached by isotropic[oriented] deposition of straight rigid k-mers on an initially empty lattice; and (iii) [(iv)] inverse isotropic[oriented] percolation threshold θ_{c,k}^{i}[ϑ_{c,k}^{i}], which corresponds to the maximum concentration of occupied sites for which connectivity disappears. θ_{c,k}^{i}[ϑ_{c,k}^{i}] is reached after removing isotropic [completely aligned] straight rigid k-mers from an initially fully occupied lattice. θ_{c,k}, ϑ_{c,k}, θ_{c,k}^{i}, and ϑ_{c,k}^{i} are determined for a wide range of k (2≤k≤512). The obtained results indicate that (1)θ_{c,k}[θ_{c,k}^{i}] exhibits a nonmonotonous dependence on the size k. It decreases[increases] for small particle sizes, goes through a minimum[maximum] at around k=11, and finally increases and asymptotically converges towards a definite value for large segments θ_{c,k→∞}=0.500(2) [θ_{c,k→∞}^{i}=0.500(1)]; (2)ϑ_{c,k}[ϑ_{c,k}^{i}] depicts a monotonous behavior in terms of k. It rapidly increases[decreases] for small particle sizes and asymptotically converges towards a definite value for infinitely long k-mers ϑ_{c,k→∞}=0.5334(6) [ϑ_{c,k→∞}^{i}=0.4666(6)]; (3) for both isotropic and perfectly oriented models, the curves of standard and inverse percolation thresholds are symmetric to each other with respect to the line θ(ϑ)=0.5. Thus a complementary property is found θ_{c,k}+θ_{c,k}^{i}=1 (and ϑ_{c,k}+ϑ_{c,k}^{i}=1) which has not been observed in other regular lattices. This condition is analytically validated by using exact enumeration of configurations for small systems, and (4) in all cases, the critical concentration curves divide the θ space in a percolating region and a nonpercolating region. These phases extend to infinity in the space of the parameter k so that the model presents percolation transition for the whole range of k.

Site-bond percolation in two-dimensional kagome lattices: Analytical approach and numerical simulations.

The site-bond percolation problem in two-dimensional kagome lattices has been studied by means of theoretical modeling and numerical simulations. Motivated by considerations of cluster connectivity, two distinct schemes (denoted as S∩B and S∪B) have been considered. In S∩B (S∪B), two points are connected if a sequence of occupied sites and (or) bonds joins them. Analytical and simulation approaches, supplemented by analysis using finite-size scaling theory, were used to calculate the phase boundaries between the percolating and nonpercolating regions, thus determining the complete phase diagram of the system in the (p_{s},p_{b}) space. In the case of the S∩B model, the obtained results are in excellent agreement with previous theoretical and numerical predictions. In the case of the S∪B model, the limiting curve separating percolating and nonpercolating regions is reported here.

Jamming and percolation of linear k-mers on honeycomb lattices.

Numerical simulations and finite-size scaling analysis have been performed to study the jamming and percolation behavior of elongated objects deposited on two-dimensional honeycomb lattices. The depositing particle is modeled as a linear array of length k (so-called k-mer), maximizing the distance between first and last monomers in the chain. The separation between k-mer units is equal to the lattice constant. Hence, k sites are occupied by a k-mer when adsorbed onto the surface. The adsorption process starts with an initial configuration, where all lattice sites are empty. Then, the sites are occupied following a random sequential adsorption mechanism. The process finishes when the jamming state is reached and no more objects can be deposited due to the absence of empty site clusters of appropriate size and shape. Jamming coverage θ_{j,k} and percolation threshold θ_{c,k} were determined for a wide range of values of k (2≤k≤128). The obtained results shows that (i) Î¸_{j,k} is a decreasing function with increasing k, being θ_{j,k→∞}=0.6007(6) the limit value for infinitely long k-mers; and (ii) Î¸_{c,k} has a strong dependence on k. It decreases in the range 2≤k<48, goes through a minimum around k=48, and increases smoothly from k=48 up to the largest studied value of k=128. Finally, the precise determination of the critical exponents ν, ß, and γ indicates that the model belongs to the same universality class as 2D standard percolation regardless of the value of k considered.

Irreversible bilayer adsorption of straight semirigid rods on two-dimensional square lattices: Jamming and percolation properties.

Numerical simulations and finite-size scaling analysis have been performed to study the jamming and percolation behavior of straight semirigid rods adsorbed on two-dimensional square lattices. The depositing objects can be adsorbed on the surface forming two layers. The filling of the lattice is carried out following a generalized random sequential adsorption (RSA) mechanism. In each elementary step, (i) a set of k consecutive nearest-neighbor sites (aligned along one of two lattice axes) is randomly chosen and (ii) if each selected site is either empty or occupied by a k-mer unit in the first layer, then a new k-mer is then deposited onto the lattice. Otherwise, the attempt is rejected. The process starts with an initially empty lattice and continues until the jamming state is reached and no more objects can be deposited due to the absence of empty site clusters of appropriate size and shape. A wide range of values of k (2≤k≤64) is investigated. The study of the kinetic properties of the system shows that (1) the jamming coverage θ_{j,k} is a decreasing function with increasing k, with θ_{j,k→∞}=0.7299(21) the limit value for infinitely long k-mers and (2) the jamming exponent ν_{j} remains close to 1, regardless of the size k considered. These findings are discussed in terms of the lattice dimensionality and number of sites available for adsorption. The dependence of the percolation threshold θ_{c,k} as a function of k is also determined, with θ_{c,k}=A+Bexp(-k/C), where A=θ_{c,k→∞}=0.0457(68) is the value of the percolation threshold by infinitely long k-mers, B=0.276(25), and C=14(2). This monotonic decreasing behavior is completely different from that observed for the standard problem of straight rods on square lattices, where the percolation threshold shows a nonmonotonic k-mer size dependence. The differences between the results obtained from bilayer and monolayer phases are explained on the basis of the transversal overlaps between rods occurring in the bilayer problem. This effect (which we call a "cross-linking effect"), its consequences on the filling kinetics, and its implications in the field of conductivity of composites filled with elongated particles (or fibers) are discussed in detail. Finally, the precise determination of the critical exponents ν, ß, and γ indicates that, although the increasing in the width of the deposited layer drastically affects the behavior of the percolation threshold with k and other critical properties (such as the crossing points of the percolation probability functions), it does not alter the nature of the percolation transition occurring in the system. Accordingly, the bilayer model belongs to the same universality class as two-dimensional standard percolation model.

Irreversible multilayer adsorption of semirigid k-mers deposited on one-dimensional lattices.

Irreversible multilayer adsorption of semirigid k-mers on one-dimensional lattices of size L is studied by numerical simulations complemented by exhaustive enumeration of configurations for small lattices. The deposition process is modeled by using a random sequential adsorption algorithm, generalized to the case of multilayer adsorption. The paper concentrates on measuring the jamming coverage for different values of k-mer size and number of layers n. The bilayer problem (n≤2) is exhaustively analyzed, and the resulting tendencies are validated by the exact enumeration techniques. Then, the study is extended to an increasing number of layers, which is one of the noteworthy parts of this work. The obtained results allow the following: (i) to characterize the structure of the adsorbed phase for the multilayer problem. As n increases, the (1+1)-dimensional adsorbed phase tends to be a "partial wall" consisting of "towers" (or columns) of width k, separated by valleys of empty sites. The length of these valleys diminishes with increasing k; (ii) to establish that this is an in-registry adsorption process, where each incoming k-mer is likely to be adsorbed exactly onto an already adsorbed one. With respect to percolation, our calculations show that the percolation probability vanishes as L increases, being zero in the limit L→∞. Finally, the value of the jamming critical exponent ν_{j} is reported here for multilayer adsorption: ν_{j} remains close to 2 regardless of the considered values of k and n. This finding is discussed in terms of the lattice dimensionality.

Alternative characterization of the nematic transition in deposition of rods on two-dimensional lattices.

We revisit the problem of excluded volume deposition of rigid rods of length k unit cells over square lattices. Two new features are introduced: (a) two new short-distance complementary order parameters, called Π and Σ, are defined, calculated, and discussed to deal with the phases present as coverage increases; (b) the interpretation is now done beginning at the high-coverage ordered phase which allows us to interpret the low-coverage nematic phase as an ergodicity breakdown present only when k≥7. In addition the data analysis invokes both mutability (dynamical information theory method) and Shannon entropy (static distribution analysis) to further characterize the phases of the system. Moreover, mutability and Shannon entropy are compared, and we report the advantages and disadvantages they present for their use in this problem.

Percolation of aligned rigid rods on two-dimensional triangular lattices.

The percolation behavior of aligned rigid rods of length k (k-mers) on two-dimensional triangular lattices has been studied by numerical simulations and finite-size scaling analysis. The k-mers, containing k identical units (each one occupying a lattice site), were irreversibly deposited along one of the directions of the lattice. The connectivity analysis was carried out by following the probability R_{L,k}(p) that a lattice composed of L×L sites percolates at a concentration p of sites occupied by particles of size k. The results, obtained for k ranging from 2 to 80, showed that the percolation threshold p_{c}(k) exhibits a increasing function when it is plotted as a function of the k-mer size. The dependence of p_{c}(k) was determined, being p_{c}(k)=A+B/(C+sqrt[k]), where A=p_{c}(k→∞)=0.582(9) is the value of the percolation threshold by infinitely long k-mers, B=-0.47(0.21), and C=5.79(2.18). This behavior is completely different from that observed for square lattices, where the percolation threshold decreases with k. In addition, the effect of the anisotropy on the properties of the percolating phase was investigated. The results revealed that, while for finite systems the anisotropy of the deposited layer favors the percolation along the parallel direction to the alignment axis, in the thermodynamic limit, the value of the percolation threshold is the same in both parallel and transversal directions. Finally, an exhaustive study of critical exponents and universality was carried out, showing that the phase transition occurring in the system belongs to the standard random percolation universality class regardless of the value of k considered.

Random sequential adsorption on Euclidean, fractal, and random lattices.

Irreversible adsorption of objects of different shapes and sizes on Euclidean, fractal, and random lattices is studied. The adsorption process is modeled by using random sequential adsorption algorithm. Objects are adsorbed on one-, two-, and three-dimensional Euclidean lattices, on Sierpinski carpets having dimension d between 1 and 2, and on Erdos-Rényi random graphs. The number of sites is M=L^{d} for Euclidean and fractal lattices, where L is a characteristic length of the system. In the case of random graphs, such a characteristic length does not exist, and the substrate can be characterized by a fixed set of M vertices (sites) and an average connectivity (or degree) g. This paper concentrates on measuring (i) the probability W_{L(M)}(θ) that a lattice composed of L^{d}(M) elements reaches a coverage θ and (ii) the exponent ν_{j} characterizing the so-called jamming transition. The results obtained for Euclidean, fractal, and random lattices indicate that the quantities derived from the jamming probability W_{L(M)}(θ), such as (dW_{L}/dθ)_{max} and the inverse of the standard deviation Δ_{L}, behave asymptotically as M^{1/2}. In the case of Euclidean and fractal lattices, where L and d can be defined, the asymptotic behavior can be written as M^{1/2}=L^{d/2}=L^{1/ν_{j}}, with ν_{j}=2/d.

Jamming and percolation of k

Jamming and percolation of three-dimensional (3D) k×k×k cubic objects (k^{3}-mers) deposited on simple cubic lattices have been studied by numerical simulations complemented with finite-size scaling theory. The k^{3}-mers were irreversibly deposited into the lattice. Jamming coverage θ_{j,k} was determined for a wide range of k (2≤k≤40). θ_{j,k} exhibits a decreasing behavior with increasing k, being θ_{j,k=∞}=0.4204(9) the limit value for large k^{3}-mer sizes. In addition, a finite-size scaling analysis of the jamming transition was carried out, and the corresponding spatial correlation length critical exponent ν_{j} was measured, being ν_{j}≈3/2. However, the obtained results for the percolation threshold θ_{p,k} showed that θ_{p,k} is an increasing function of k in the range 2≤k≤16. For k≥17, all jammed configurations are nonpercolating states, and consequently, the percolation phase transition disappears. The interplay between the percolation and the jamming effects is responsible for the existence of a maximum value of k (in this case, k=16) from which the percolation phase transition no longer occurs. Finally, a complete analysis of critical exponents and universality has been done, showing that the percolation phase transition involved in the system has the same universality class as the 3D random percolation, regardless of the size k considered.

Percolation phase transition by removal of k

Numerical simulations and finite-size scaling analysis have been carried out to study the problem of inverse site percolation by the removal of k×k square tiles (k^{2}-mers) from square lattices. The process starts with an initial configuration, where all lattice sites are occupied and, obviously, the opposite sides of the lattice are connected by occupied sites. Then the system is diluted by removing k^{2}-mers of occupied sites from the lattice following a random sequential adsorption mechanism. The process finishes when the jamming state is reached and no more objects can be removed due to the absence of occupied sites clusters of appropriate size and shape. The central idea of this paper is based on finding the maximum concentration of occupied sites, p_{c,k}, for which the connectivity disappears. This particular value of the concentration is called the inverse percolation threshold and determines a well-defined geometrical phase transition in the system. The results obtained for p_{c,k} show that the inverse percolation threshold is a decreasing function of k in the range 1≤k≤4. For k≥5, all jammed configurations are percolating states, and consequently, there is no nonpercolating phase. In other words, the lattice remains connected even when the highest allowed concentration of removed sites is reached. The jamming exponent ν_{j} was measured, being ν_{j}=1 regardless of the size k considered. In addition, the accurate determination of the critical exponents ν, ß, and γ reveals that the percolation phase transition involved in the system, which occurs for k varying between one and four, has the same universality class as the standard percolation problem.

Jamming and percolation for deposition of k

Percolation and jamming of k×k square tiles (k^{2}-mers) deposited on square lattices have been studied by numerical simulations complemented with finite-size scaling theory and exact enumeration of configurations for small systems. The k^{2}-mers were irreversibly deposited into square lattices of sizes L×L with L/k ranging between 128 and 448 (64 and 224) for jamming (percolation) calculations. Jamming coverage θ_{j,k} was determined for a wide range of k values (2≤k≤100 with many intermediate k values to allow a fine scaling analysis). θ_{j,k} exhibits a decreasing behavior with increasing k, being θ_{j,k=∞}=0.5623(3) the limit value for large k^{2}-mer sizes. In addition, a finite-size scaling analysis of the jamming transition was carried out, and the corresponding spatial correlation length critical exponent ν_{j} was measured, being ν_{j}≈1. On the other hand, the obtained results for the percolation threshold θ_{c,k} showed that θ_{c,k} is an increasing function of k in the range 1≤k≤3. For k≥4, all jammed configurations are nonpercolating states and, consequently, the percolation phase transition disappears. An explanation for this phenomenon is offered in terms of the rapid increase with k of the number of surrounding occupied sites needed to reach percolation, which gets larger than the sufficient number of occupied sites to define jamming. In the case of k=2 and 3, the percolation thresholds are θ_{c,k=2}(∞)=0.60355(8) and θ_{c,k=3}=0.63110(9). Our results significantly improve the previously reported values of θ_{c,k=2}^{Naka}=0.601(7) and θ_{c,k=3}^{Naka}=0.621(6) [Nakamura, Phys. Rev. A 36, 2384 (1987)0556-279110.1103/PhysRevA.36.2384]. In parallel, a comparison with previous results for jamming on these systems is also done. Finally, a complete analysis of critical exponents and universality has been done, showing that the percolation phase transition involved in the system has the same universality class as the ordinary random percolation, regardless of the size k considered.

Standard and inverse bond percolation of straight rigid rods on square lattices.

Numerical simulations and finite-size scaling analysis have been carried out to study standard and inverse bond percolation of straight rigid rods on square lattices. In the case of standard percolation, the lattice is initially empty. Then, linear bond k-mers (sets of k linear nearest-neighbor bonds) are randomly and sequentially deposited on the lattice. Jamming coverage p_{j,k} and percolation threshold p_{c,k} are determined for a wide range of k (1≤k≤120). p_{j,k} and p_{c,k} exhibit a decreasing behavior with increasing k, p_{j,k→∞}=0.7476(1) and p_{c,k→∞}=0.0033(9) being the limit values for large k-mer sizes. p_{j,k} is always greater than p_{c,k}, and consequently, the percolation phase transition occurs for all values of k. In the case of inverse percolation, the process starts with an initial configuration where all lattice bonds are occupied and, given that periodic boundary conditions are used, the opposite sides of the lattice are connected by nearest-neighbor occupied bonds. Then, the system is diluted by randomly removing linear bond k-mers from the lattice. The central idea here is based on finding the maximum concentration of occupied bonds (minimum concentration of empty bonds) for which connectivity disappears. This particular value of concentration is called the inverse percolation threshold p_{c,k}^{i}, and determines a geometrical phase transition in the system. On the other hand, the inverse jamming coverage p_{j,k}^{i} is the coverage of the limit state, in which no more objects can be removed from the lattice due to the absence of linear clusters of nearest-neighbor bonds of appropriate size. It is easy to understand that p_{j,k}^{i}=1-p_{j,k}. The obtained results for p_{c,k}^{i} show that the inverse percolation threshold is a decreasing function of k in the range 1≤k≤18. For k>18, all jammed configurations are percolating states, and consequently, there is no nonpercolating phase. In other words, the lattice remains connected even when the highest allowed concentration of removed bonds p_{j,k}^{i} is reached. In terms of network attacks, this striking behavior indicates that random attacks on single nodes (k=1) are much more effective than correlated attacks on groups of close nodes (large k's). Finally, the accurate determination of critical exponents reveals that standard and inverse bond percolation models on square lattices belong to the same universality class as the random percolation, regardless of the size k considered.