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In recent work [Rodrigues et al., Phys. Rev. E 100, 022121 (2019)10.1103/PhysRevE.100.022121], evidence was found that the surface adsorption transition of interacting self-avoiding trails (ISATs) placed on the square lattice displays a nonuniversal behavior at the special adsorption point (SAP) where the collapsing polymers adsorb. In fact, different surface exponents Ï^{(s)} and 1/δ^{(s)} were found at the SAP depending on whether the surface orientation is horizontal (HS) or diagonal (DS). Here, we revisit these systems and study other ones, through extensive Monte Carlo simulations, considering much longer trails than previous works. Importantly, we demonstrate that the different exponents observed in the reference above are due to the presence of a surface-attached-globule (SAG) phase in the DS system, which changes the multicritical nature of the SAP and is absent in the HS case. By considering a modified horizontal surface (mHS), on which the trails are forbidden from having two consecutive steps, resembling the DS situation, a stable SAG phase is found in the phase diagram, and both DS and mHS systems present similar 1/δ^{(s)} exponents at the SAP, namely, 1/δ^{(s)}≈0.44, whereas 1/δ^{(s)}≈0.34 in the HS case. Intriguingly, while Ï^{(s)}≈1/δ^{(s)} is found for the DS and HS scenarios, as expected, in the mHS case Ï^{(s)} is about 10% smaller than 1/δ^{(s)}. These results strongly indicate that at least two universality classes exist for the SAPs of adsorbing ISATs on the square lattice.
RESUMEN
We study magnetic polymers, defined as self-avoiding walks where each monomer i carries a "spin" s_{i} and interacts with its first neighbor monomers, let us say j, via a coupling constant J(s_{i},s_{j}). Ising-like [s_{i}=±1, with J(s_{i},s_{j})=És_{i}s_{j}] and Potts-like [s_{i}=1,...,q, with J(s_{i},s_{j})=É(s_{i})δ(s_{i},s_{j})] models are investigated. Some particular cases of these systems have recently been studied in the continuum and on regular lattices and are related to interesting applications. Here, we solve these models on Bethe lattices of branching number σ, focusing on the ferromagnetic case in zero external magnetic field. In most cases, the phase diagrams present a nonpolymerized (NP) and two polymerized phases: a paramagnetic (PP) and a ferromagnetic (FP) one. However, quite different thermodynamic properties are found depending on q in the Potts-like polymers and on whether one uses the Ising or Potts coupling in the two-state systems. For instance, for the standard Potts model [where É(1)=â¯=É(q)] with q=2, beyond the θ-point (where the critical and discontinuous NP-PP transition lines meet), a second tricritical point connecting a critical and a discontinuous transition line between the PP-FP phases is found in the system. A triple point where the NP-PP, NP-FP, and PP-FP first-order transition lines meet is also present in the phase diagram. For q≥3 the PP-FP transition is always discontinuous, and the scenario with the triple and θ points appears for q≤6. Interestingly, for q≥7, as well as for the Ising-like model the θ point becomes metastable and the critical NP-PP transition line ends at a critical end point (CEP), where it meets the NP-FP and PP-FP coexistence lines. Importantly, these results indicate that when q≤6 the spin ordering transition is preceded by the polymer collapse transition, whereas for q≥7 and in the Ising case these transitions happen together at the CEPs. Some interesting nonstandard Potts models are also studied, such as the lattice version of the model for epigenetic marks in the chromatin introduced by Michieletto et al. [Phys. Rev. X 6, 041047 (2016)2160-330810.1103/PhysRevX.6.041047]. In addition, the solution of the dilute Ising and dilute Potts models on the Bethe lattice are also presented here, since they are important to understand the PP-FP transitions.
RESUMEN
Although hard rigid rods (k-mers) defined on the square lattice have been widely studied in the literature, their entropy per site, s(k), in the full-packing limit is only known exactly for dimers (k=2) and numerically for trimers (k=3). Here, we investigate this entropy for rods with k≤7, by defining and solving them on Husimi lattices built with diagonal and regular square-lattice clusters of effective lateral size L, where L defines the level of approximation to the square lattice. Due to an L-parity effect, by increasing L we obtain two systematic sequences of values for the entropies s_{L}(k) for each type of cluster, whose extrapolations to Lâ∞ provide estimates of these entropies for the square lattice. For dimers, our estimates for s(2) differ from the exact result by only 0.03%, while that for s(3) differs from best available estimates by 3%. In this paper, we also obtain a new estimate for s(4). For larger k, we find that the extrapolated results from the Husimi tree calculations do not lie between the lower and upper bounds established in the literature for s(k). In fact, we observe that, to obtain reliable estimates for these entropies, we should deal with levels L that increase with k. However, it is very challenging computationally to advance to solve the problem for large values of L and for large rods. In addition, the exact calculations on the generalized Husimi trees provide strong evidence for the fully packed phase to be disordered for k≥4, in contrast to the results for the Bethe lattice wherein it is nematic.
RESUMEN
Although lattice gases composed of particles preventing up to their kth nearest neighbors from being occupied (the kNN models) have been widely investigated in the literature, the location and the universality class of the fluid-columnar transition in the 2NN model on the square lattice are still a topic of debate. Here, we present grand-canonical solutions of this model on Husimi lattices built with diagonal square lattices, with 2L(L+1) sites, for L⩽7. The systematic sequence of mean-field solutions confirms the existence of a continuous transition in this system, and extrapolations of the critical chemical potential µ_{2,c}(L) and particle density ρ_{2,c}(L) to Lâ∞ yield estimates of these quantities in close agreement with previous results for the 2NN model on the square lattice. To confirm the reliability of this approach, we employ it also for the 1NN model, where very accurate estimates for the critical parameters µ_{1,c} and ρ_{1,c}-for the fluid-solid transition in this model on the square lattice-are found from extrapolations of data for L⩽6. The nonclassical critical exponents for these transitions are investigated through the coherent anomaly method (CAM), which in the 1NN case yields ß and ν differing by at most 6% from the expected Ising exponents. For the 2NN model, the CAM analysis is somewhat inconclusive, because the exponents sensibly depend on the value of µ_{2,c} used to calculate them. Notwithstanding, our results suggest that ß and ν are considerably larger than the Ashkin-Teller exponents reported in numerical studies of the 2NN system.
RESUMEN
We report the grand-canonical solution of a ternary mixture of discrete hard spheres defined on a Husimi lattice built with cubes, which provides a mean-field approximation for this system on the cubic lattice. The mixture is composed of pointlike particles (0NN) and particles which exclude up to their first (1NN) and second neighbors (2NN), with activities z_{0}, z_{1}, and z_{2}, respectively. Our solution reveals a very rich thermodynamic behavior, with two solid phases associated with the ordering of 1NN (S1) or 2NN particles (S2), and two fluid phases, one being regular (RF) and the other characterized by a dominance of 0NN particles (F0 phase). However, in most part of the phase diagram these fluid (F) phases are indistinguishable. Discontinuous transitions are observed between all the four phases, yielding several coexistence surfaces in the system, among which a fluid-fluid and a solid-solid demixing surface. The former one is limited by a line of critical points and a line of triple points (where the phases RF-F0-S2 coexist), both meeting at a special point, after which the fluid-fluid coexistence becomes metastable. Another line of triple points is found, connecting the F-S1, F-S2, and S1-S2 coexistence surfaces. A critical F-S1 surface is also observed meeting the F-S1 coexistence one at a line of tricritical points. Furthermore, a thermodynamic anomaly characterized by minima in isobaric curves of the total density of particles is found, yielding three surfaces of minimal density in the activity space, depending on which activity is kept fixed during its calculation.
RESUMEN
We study binary mixtures of hard particles, which exclude up to their kth nearest neighbors (kNN) on the simple cubic lattice and have activities z_{k}. In the first model analyzed, point particles (0NN) are mixed with 1NN ones. The grand-canonical solution of this model on a Husimi lattice built with cubes unveils a phase diagram with a fluid and a solid phase separated by a continuous and a discontinuous transition line which meet at a tricritical point. A density anomaly, characterized by minima in isobaric curves of the total density of particles against z_{0} (or z_{1}), is also observed in this system. Overall, this scenario is identical to the one previously found for this model when defined on the square lattice. The second model investigated consists of the mixture of 1NN particles with 2NN ones. In this case, a very rich phase behavior is found in its Husimi lattice solution, with two solid phases-one associated with the ordering of 1NN particles (S1) and the other with the ordering of 2NN ones (S2)-beyond the fluid (F) phase. While the transitions between F-S2 and S1-S2 phases are always discontinuous, the F-S1 transition is continuous (discontinuous) for small (large) z_{2}. The critical and coexistence F-S1 lines meet at a tricritical point. Moreover, the coexistence F-S1,F-S2, and S1-S2 lines meet at a triple point. Density anomalies are absent in this case.
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While the realistic modeling of the thermodynamic behavior of fluids usually demands elaborated atomistic models, much has been learned from simplified ones. Here, we investigate a model where pointlike particles (with activity z0) are mixed with molecules that exclude their first and second neighbors (i.e., cubes of lateral size λ=3a, with activity z2), both placed on the sites of a simple cubic lattice with parameter a. Only hard-core interactions exist among the particles so that the model is athermal. Despite its simplicity, the grand-canonical solution of this model on a Husimi lattice built with cubes revels a fluid-fluid demixing, yielding a phase diagram with two fluid phases (one of them dominated by small particles-F0) and a solidlike phase coexisting at a triple-point. Moreover, the fluid-fluid coexistence line ends at a critical point. An anomaly in the total density (ρT) of particles is also found, which is hallmarked by minima in the isobaric curves of ρT vs z0 (or z2). Interestingly, the line of minimum density crosses the phase diagram starting inside the region where both fluid phases are stable, passing through the F0 one and ending deep inside its metastable region, in a point where the spinodals of both fluid phases cross each other.
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Using extensive Monte Carlo simulations, we investigate the surface adsorption of self-avoiding trails on the triangular lattice with two- and three-body on-site monomer-monomer interactions. In the parameter space of two-body, three-body, and surface interaction strengths, the phase diagram displays four phases: swollen (coil), globule, crystal, and adsorbed. For small values of the surface interaction, we confirm the presence of swollen, globule, and crystal bulk phases. For sufficiently large values of the surface interaction, the system is in an adsorbed state, and the adsorption transition can be continuous or discontinuous, depending on the bulk phase. As such, the phase diagram contains a rich phase structure with transition surfaces that meet in multicritical lines joining in a single special multicritical point. The adsorbed phase displays two distinct regions with different characteristics, dominated by either single- or double-layer adsorbed ground states. Interestingly, we find that there is no finite-temperature phase transition between these two regions though rather a smooth crossover.
RESUMEN
We present results from extensive Monte Carlo simulations of polymer models where each lattice site can be visited by up to K monomers and no restriction is imposed on the number of bonds on each lattice edge. These multiple monomer per site (MMS) models are investigated on the square and cubic lattices, for K=2 and 3, by associating Boltzmann weights ω_{0}=1, ω_{1}=e^{ß_{1}}, and ω_{2}=e^{ß_{2}} to sites visited by 1, 2, and 3 monomers, respectively. Two versions of the MMS models are considered for which immediate reversals of the walks are allowed (RA) or forbidden (RF). In contrast to previous simulations of these models, we find the same thermodynamic behavior for both RA and RF versions. In three dimensions, the phase diagrams, in space ß_{2}×ß_{1}, are featured by coil and globule phases separated by a line of Θ points, as thoroughly demonstrated by the metric ν_{t}, crossover Ï_{t}, and entropic γ_{t} exponents. The existence of the Θ lines is also confirmed by the second virial coefficient. This shows that no discontinuous collapse transition exists in these models, in contrast to previous claims based on a weak bimodality observed in some distributions, which indeed exists in a narrow region very close to the Θ line when ß_{1}<0. Interestingly, in two dimensions, only a crossover is found between the coil and globule phases.