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Item Collapse transition in polymer models with multiple monomers per site and multiple bonds per edge(Physical Review E, 2017-12) Rodrigues, Nathann T.; Oliveira, Tiago J.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 ω0=1, ω1=eβ1, and ω2=eβ2 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 β2×β1, are featured by coil and globule phases separated by a line of Θ points, as thoroughly demonstrated by the metric νt, crossover ϕt, and entropic γt 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 β1<0. Interestingly, in two dimensions, only a crossover is found between the coil and globule phases.Item Polymers with nearest- and next nearest-neighbor interactions on the Husimi lattice(Journal of Physics A: Mathematical and Theoretical, 2016) Oliveira, Tiago J.The exact grand-canonical solution of a generalized interacting self-avoid walk (ISAW) model, placed on a Husimi lattice built with squares, is presented. In this model, beyond the traditional interaction ω1=eϵ1/kBT between (nonconsecutive) monomers on nearest-neighbor (NN) sites, an additional energy ϵ2 is associated to next-NN (NNN) monomers. Three definitions of NNN sites/interactions are considered, where each monomer can have, effectively, at most 2, 4 or 6 NNN monomers on the Husimi lattice. The phase diagrams found in all cases have (qualitatively) the same thermodynamic properties: a non-polymerized (NP) and a polymerized (P) phase separated by a critical and a coexistence surface that meet at a tricritical (θ-) line. This θ-line is found even when one of the interactions is repulsive, existing for ω1 in the range [0,∞), i. e., for ϵ1/kBT in the range [−∞,∞). Counterintuitively, a θ-point exists even for an infinite repulsion between NN monomers (ω1=0), being associated to a coil-"soft globule" transition. In the limit of an infinite repulsive force between NNN monomers, however, the coil-globule transition disappears and only a NP-P continuous transition is observed. This particular case, with ω2=0, is also solved exactly on the square lattice, using a transfer matrix calculation, where a discontinuous NP-P transition is found. For attractive and repulsive forces between NN and NNN monomers, respectively, the model becomes quite similar to the semiflexible-ISAW one, whose crystalline phase is not observed here, as a consequence of the frustration due to competing NN and NNN forces. The mapping of the phase diagrams in canonical ones is discussed and compared with recent results from Monte Carlo simulations.Item Origins of scaling corrections in ballistic growth models(Physical Review E, 2014-11-20) Alves, Sidiney G.; Oliveira, Tiago J.; Ferreira, Silvio C.We study the ballistic deposition and the grain deposition models on two-dimensional substrates. Using the Kardar-Parisi-Zhang (KPZ) ansatz for height fluctuations, we show that the main contribution to the intrinsic width, which causes strong corrections to the scaling, comes from the fluctuations in the height increments along deposition events. Accounting for this correction in the scaling analysis, we obtain scaling exponents in excellent agreement with the KPZ class. We also propose a method to suppress these corrections, which consists in dividing the surface in bins of size ε and using only the maximal height inside each bin to do the statistics. Again, scaling exponents in remarkable agreement with the KPZ class are found. The binning method allows the accurate determination of the height distributions of the ballistic models in both growth and steady-state regimes, providing the universal underlying fluctuations foreseen for KPZ class in 2 + 1 dimensions. Our results provide complete and conclusive evidences that the ballistic model belongs to the KPZ universality class in 2 + 1 dimensions. Potential applications of the methods developed here, in both numerics and experiments, are discussed.Item Transfer-matrix study of a hard-square lattice gas with two kinds of particles and density anomaly(Physical Review E, 2015-09-01) Oliveira, Tiago J.; Stilck, Jürgen F.Using transfer matrix and finite-size scaling methods, we study the thermodynamic behavior of a lattice gas with two kinds of particles on the square lattice. Only excluded volume interactions are considered, so that the model is athermal. Large particles exclude the site they occupy and its four first neighbors, while small particles exclude only their site. Two thermodynamic phases are found: a disordered phase where large particles occupy both sublattices with the same probability and an ordered phase where one of the two sublattices is preferentially occupied by them. The transition between these phases is continuous at small concentrations of the small particles and discontinuous at larger concentrations, both transitions are separated by a tricritical point. Estimates of the central charge suggest that the critical line is in the Ising universality class, while the tricritical point has tricritical Ising (Blume-Emery-Griffiths) exponents. The isobaric curves of the total density as functions of the fugacity of small or large particles display a minimum in the disordered phase.Item Solution on the bethe lattice of a hard core athermal gas with two kinds of particles(The Journal of Chemical Physics, 2011-10-14) Oliveira, Tiago J.; Stilck, Jürgen F.Athermal lattice gases of particles with first neighbor exclusion have been studied for a long time as simple models exhibiting a fluid-solid transition. At low concentration the particles occupy randomly both sublattices, but as the concentration is increased one of the sublattices is occupied preferentially. Here, we study a mixed lattice gas with excluded volume interactions only in the grand-canonical formalism with two kinds of particles: small ones, which occupy a single lattice site and large ones, which, when placed on a site, do not allow other particles to occupy its first neighbors also. We solve the model on a Bethe lattice of arbitrary coordination number q. In the parameter space defined by the activities of both particles, at low values of the activity of small particles (z1) we find a continuous transition from the fluid to the solid phase as the activity of large particles (z2) is increased. At higher values of z1 the transition becomes discontinuous, both regimes are separated by a tricritical point. The critical line has a negative slope at z1 = 0 and displays a minimum before reaching the tricritical point, so that a re-entrant behavior is observed for constant values of z2 in the region of low density of small particles. The isobaric curves of the total density of particles as a function of the density or the activity of small particles show a minimum in the fluid phase.Item Nature of the collapse transition in interacting self-avoiding trails(Physical Review E, 2016-01-27) Oliveira, Tiago J.; Stilck, Jürgen F.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 ωi 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.Item Grand-canonical solution of semi-flexible self-avoiding trails on the bethe lattice(Physical Review E, 2017-02-24) Dantas, W. G.; Oliveira, Tiago J.; Stilck, Jürgen F.; Prellberg, ThomasWe consider a model of semiflexible interacting self-avoiding trails (sISATs) on a lattice, where the walks are constrained to visit each lattice edge at most once. Such models have been studied as an alternative to the self-attracting self-avoiding walks (SASAWs) to investigate the collapse transition of polymers, with the attractive interactions being on site as opposed to nearest-neighbor interactions in SASAWs. The grand-canonical version of the sISAT model is solved on a four-coordinated Bethe lattice, and four phases appear: non-polymerized (NP), regular polymerized (P), dense polymerized (DP), and anisotropic nematic (AN), the last one present in the phase diagram only for sufficiently stiff chains. The last two phases are dense, in the sense that all lattice sites are visited once in the AN phase and twice in the DP phase. In general, critical NP-P and DP-P transition surfaces meet with a NP-DP coexistence surface at a line of bicritical points. The region in which the AN phase is stable is limited by a discontinuous critical transition to the P phase, and we study this somewhat unusual transition in some detail. In the limit of rods, where the chains are totally rigid, the P phase is absent and the three coexistence lines (NP-AN, AN-DP, and NP-DP) meet at a triple point, which is the endpoint of the bicritical line.Item Initial pseudo-steady state & asymptotic KPZ universality in semiconductor on polymer deposition(Scientific Reports, 2017-06-19) Almeida, Renan A. L.; Ferreira, Sukarno O.; Ferraz, Isnard; Oliveira, Tiago J.The Kardar-Parisi-Zhang (KPZ) class is a paradigmatic example of universality in nonequilibrium phenomena, but clear experimental evidences of asymptotic 2D-KPZ statistics are still very rare, and far less understanding stems from its short-time behavior. We tackle such issues by analyzing surface fluctuations of CdTe films deposited on polymeric substrates, based on a huge spatio-temporal surface sampling acquired through atomic force microscopy. A pseudo-steady state (where average surface roughness and spatial correlations stay constant in time) is observed at initial times, persisting up to deposition of ~104 monolayers. This state results from a fine balance between roughening and smoothening, as supported by a phenomenological growth model. KPZ statistics arises at long times, thoroughly verified by universal exponents, spatial covariance and several distributions. Recent theoretical generalizations of the Family-Vicsek scaling and the emergence of log-normal distributions during interface growth are experimentally confirmed. These results confirm that high vacuum vapor deposition of CdTe constitutes a genuine 2D-KPZ system, and expand our knowledge about possible substrate-induced short-time behaviors.