Interacting Self-avoiding Trails Research Articles

Universality class of the special adsorption point of two-dimensional lattice polymers.

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 ϕ^{(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 ϕ^{(s)}≈1/δ^{(s)} is found for the DS and HS scenarios, as expected, in the mHS case ϕ^{(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.

Use of the Complex Zeros of the Partition Function to Investigate the Critical Behavior of the Generalized Interacting Self-Avoiding Trail Model.

The complex zeros of the canonical (fixed walk-length) partition function are calculated for both the self-avoiding trails model and the vertex-interacting self-avoiding walk model, both in bulk and in the presence of an attractive surface. The finite-size behavior of the zeros is used to estimate the location of phase transitions: the collapse transition in the bulk and the adsorption transition in the presence of a surface. The bulk and surface cross-over exponents, and , are estimated from the scaling behavior of the leading partition function zeros.

Nature of the collapse transition in interacting self-avoiding trails.

We study the interacting self-avoiding trail (ISAT) model on a Bethe lattice of general coordination q and on a Husimi lattice built with squares and coordination q=4. The exact grand-canonical solutions of the model are obtained, considering that up to K monomers can be placed on a site and associating a weight ω_{i} with an i-fold visited site. Very rich phase diagrams are found with nonpolymerized, regular polymerized, and dense polymerized phases separated by lines (or surfaces) of continuous and discontinuous transitions. For a Bethe lattice with q=4 and K=2, the collapse transition is identified with a bicritical point and the collapsed phase is associated with the dense polymerized (solidlike) phase instead of the regular polymerized (liquidlike) phase. A similar result is found for the Husimi lattice, which may explain the difference between the collapse transition for ISATs and for interacting self-avoiding walks on the square lattice. For q=6 and K=3 (studied on the Bethe lattice only), a more complex phase diagram is found, with two critical planes and two coexistence surfaces, separated by two tricritical and two critical end-point lines meeting at a multicritical point. The mapping of the phase diagrams in the canonical ensemble is discussed and compared with simulational results for regular lattices.

MONTE CARLO INVESTIGATION OF LATTICE MODELS OF POLYMER COLLAPSE IN FIVE DIMENSIONS

Monte Carlo simulations, using the PERM algorithm, of interacting self-avoiding walks (ISAW) and interacting self-avoiding trails (ISAT) in five dimensions are presented which locate the collapse phase transition in those models. It is argued that the appearance of a transition (at least) as strong as a pseudo-first-order transition occurs in both models. The values of various theoretically-conjectured dimension-dependent exponents are shown to be consistent with the data obtained. Indeed the first-order nature of the transition is even stronger in five dimensions than four. The agreement with the theory is better for ISAW than ISAT and it cannot be ruled out that ISAT have a true first-order transition in dimension five. This latter difference would be intriguing if true. On the other hand, since simulations are more difficult for ISAT than ISAW at this transition in high dimensions, any discrepancy may well be due to the inability of the simulations to reach the true asymptotic regime.

Four-dimensional polymer collapse II: interacting self-avoiding trails

We have simulated four-dimensional interacting self-avoiding trails (ISAT) on the hypercubic lattice with standard interactions at a wide range of temperatures up to length 4096 and at some temperatures up to length 16384. The results confirm the earlier prediction (using data from a non-standard model at a single temperature) of a collapse phase transition occurring at finite temperature. Moreover they are in accord with the phenomenological theory originally proposed by Lifshitz, Grosberg and Khokhlov in three dimensions and recently given new impetus by its use in the description of simulational results for four-dimensional interacting self-avoiding walks (ISAW). In fact, we argue that the available data is consistent with the conclusion that the collapse transitions of ISAT and ISAW lie in the same universality class, in contradiction with long-standing predictions. We deduce that there exists a pseudo-first order transition for ISAT in four dimensions at finite lengths while the thermodynamic limit is described by the standard polymer mean-field theory (giving a second-order transition), in contradiction to the prediction that the upper critical dimension for ISAT is d u =4.