Heterogeneous nucleation of a droplet pinned at a chemically inhomogeneous substrate: A simulation study of the two-dimensional Ising case.

Heterogeneous nucleation is studied by Monte Carlo simulations and phenomenological theory, using the two-dimensional lattice gas model with suitable boundary fields. A chemical inhomogeneity of length b at one boundary favors the liquid phase, while elsewhere the vapor is favored. Switching on the bulk field Hb favoring the liquid, nucleation and growth of the liquid phase starting from the region of the chemical inhomogeneity are analyzed. Three regimes occur: for small fields, HbHb*), the droplets nucleated at the chemical inhomogeneity grow to the full system size. While the relaxation time for the growth scales as τG∝Hb-1, the nucleation time τN scales as lnτN∝Hb-1. However, the prefactor in the latter relation, as evaluated for our simulations results, is not in accord with an extension of the Volmer-Turnbull theory to two-dimensions, when the theoretical contact angle θc is used.

Critical behaviour of the Ising ferromagnet confined in quasi-cylindrical pores: a Monte Carlo study.

The critical behaviour of the Ising ferromagnet confined in pores of radius R and length L is studied by means of Monte Carlo computer simulations. Quasi-cylindrical pores are obtained by replicating n-times a triangular lattice disc of radius R, where L = na and a is the spacing between consecutive replications. So, spins placed at the surface of the pores have less nearest-neighbours (NN) as compared to 8 NN for spins in the bulk. These "missing neighbour" effects undergone by surface spins cause a strong suppression of surface ordering, leading to an ordinary surface transition. Also, the effect propagates into the bulk for small tubes (R ≤ 12) and the effective critical temperature of the pores is shifted towards lower values than in the bulk case. By applying the standard finite-size scaling theory, subsequently supported by numerical data, we concluded that data collapse of relevant observables, e.g., magnetization (m), susceptibility, specific heat, etc., can only be observed by comparing simulation results obtained by keeping the aspect ratio C ≡ R∕L constant. Also, by extrapolating "effective" R-dependent critical temperatures to the thermodynamic limit (R → ∞, C fixed), we obtained T(C)(∞) = 6.208(4). As suggested by finite-size scaling arguments, the magnetization is measured at the critical point scales according to [|m|]Tc R(ß/ν) is proportional to [R/L](1/2), where ß and ν are the standard exponents for the order parameter and the correlation length, respectively. Furthermore, it is shown that close to criticality the axial correlation length decreases exponentially with the distance. That result is the signature of the formation of (randomly distributed) alternating domains of different magnetization, which can be directly observed by means of snapshot configurations, whose typical length (ξ) is given by the characteristic length of the exponential decay of correlations. Moreover, we show that at criticality ξ = 0.43(2)R.

Finite-size scaling approach for critical wetting: rationalization in terms of a bulk transition with an order parameter exponent equal to zero.

Clarification of critical wetting with short-range forces by simulations has been hampered by the lack of accurate methods to locate where the transition occurs. We solve this problem by developing an anisotropic finite-size scaling approach and show that then the wetting transition is a "bulk" critical phenomenon with order parameter exponent equal to zero. For the Ising model in two dimensions, known exact results are straightforwardly reproduced. In three dimensions, it is shown that previous estimates for the location of the transition need revision, but the conclusions about a slow crossover away from mean-field behavior remain unaltered.

Continuous and discrete modeling of the decay of two-dimensional nanostructures.

In this work we review some recent research on the surface diffusion-mediated decay of two-dimensional nanostructures. These results include both a continuous, vectorial model and a discrete kinetic Monte Carlo approach. Predictions from the standard linear continuous theory of surface-diffusion-driven interface decay are contrasted with simulational results both from kinetic and morphological points of view. In particular, we focused our attention on high-aspect-ratio nanostructures, where strong deviations from linear theory take place, including nonexponential amplitude decay and the emergence of several interesting nanostructures such as overhangs developing, nanoislands and nanovoids formation, loss of convexity, nanostructures-pinch off and nanostructures-break off, etc.

Finite-size scaling analysis and dynamic study of the critical behavior of a model for the collective displacement of self-driven individuals.

The Vicsek model (VM) [T. Vicsek, Phys. Rev. Lett. 75, 1226 (1995)], for the description of the collective behavior of self-driven individuals, assumes that each of them adopts the average direction of movement of its neighbors, perturbed by an external noise. A second-order transition between a state of ordered collective displacement (low-noise limit) and a disordered regime (high-noise limit) was found early on. However, this scenario has recently been challenged by Grégory and Chaté [G. Grégory and H. Chaté, Phys. Rev. Lett. 92, 025702 (2004)] who claim that the transition of the VM may be of first order. By performing extensive simulations of the VM, which are analyzed by means of both finite-size scaling methods and a dynamic scaling approach, we unambiguously demonstrate the critical nature of the transition. Furthermore, the complete set of critical exponents of the VM, in d=2 dimensions, is determined. By means of independent methods--i.e., stationary and dynamic measurements--we provide two tests showing that the standard hyperscaling relationship dnu-2beta=gamma holds, where beta, nu, and gamma are the order parameter, correlation length, and "susceptibility" critical exponents, respectively. Furthermore, we established that at criticality, the correlation length grows according to xi-t1z, with z approximately = 1.27(3) , independently of the degree of order of the initial configuration, in marked contrast with the behavior of the XY model.

Dynamic behavior of the interface of striplike structures in driven lattice gases.

In this work, the dynamic behavior of the interfaces in both the standard and random driven lattice gas models (DLG and RDLG, respectively) is investigated via numerical Monte Carlo simulations in two dimensions. These models consider a lattice gas of density rho=12 with nearest-neighbor attractive interactions between particles under the influence of an external driven field applied along one fixed direction in the case of the DLG model, and a randomly varying direction in the case of the RDLG model. The systems are also in contact with a reservoir at temperature T . Those systems undergo a second-order nonequilibrium phase transition between an ordered state characterized by high-density strips crossing the sample along the driving field, and a quasilattice gas disordered state. For T less, similarT_{c} , the average interface width of the strips (W) was measured as a function of the lattice size and the anisotropic shape factor. It was found that the saturation value W_{sat};{2} only depends on the lattice size parallel to the external field axis L_{y} and exhibits two distinct regimes: W_{sat};{2} proportional, variantlnL_{y} for low temperatures, that crosses over to W_{sat};{2} proportional, variantL_{y};{2alpha_{I}} near the critical zone, alpha_{I}=12 being the roughness exponent of the interface. By using the relationship alpha_{I}=1(1+Delta_{I}) , the anisotropic exponent for the interface of the DLG model was estimated, giving Delta_{I} approximately 1 , in agreement with the computed value for anisotropic bulk exponent Delta_{B} in a recently proposed theoretical approach. At the crossover region between both regimes, we observed indications of bulk criticality. The time evolution of W at T_{c} was also monitored and shows two growing stages: first one observes that W proportional, variantlnt for several decades, and in the following times one has W proportional, variantt;{beta_{I}} , where beta_{I} is the dynamic exponent of the interface width. By using this value we estimated the dynamic critical exponent of the correlation length in the perpendicular direction to the external field, giving z_{ perpendicular};{I} approximately 4 , which is consistent with the dynamic exponent of the bulk critical transition z_{ perpendicular};{B} in both theoretical approaches developed for the standard model. A similar scenario was also observed in the RDLG model, suggesting that both models may belong to the same universality class.

Kinetic Monte Carlo study on the decay of two-dimensional nanostructures: influence of the activation energy of diffusion on kinetic and morphological properties.

Surface diffusion-mediated decay of two-dimensional nanostructures is studied by means of a kinetic Monte Carlo model. We consider several possible choices for the activation energies associated with possible diffusion paths, including simple phenomenological models, as well as results provided by the embedded atom model. Numerical results show that kinetic aspects of the evolution are quite sensitive to the activation energy model chosen. In contrast, morphological aspects of the evolution exhibit a similar qualitative behavior, irrespective of the activation energy model considered. It is shown that this common behavior closely agrees with predictions from the continuous theory of surface diffusion-driven interface decay.

Ballistic deposition on deterministic fractals: observation of discrete scale invariance.

The growth of ballistic aggregates on deterministic fractal substrates is studied by means of numerical simulations. First, we attempt the description of the evolving interface of the aggregates by applying the well-established Family-Vicsek dynamic scaling approach. Systematic deviations from that standard scaling law are observed, suggesting that significant scaling corrections have to be introduced in order to achieve a more accurate understanding of the behavior of the interface. Subsequently, we study the internal structure of the growing aggregates that can be rationalized in terms of the scaling behavior of frozen trees, i.e., structures inhibited for further growth, lying below the growing interface. It is shown that the rms height (h_{s}) and width (w_{s}) of the trees of size s obey power laws of the form h_{s} proportional, variants;{nu_{ parallel}} and w_{s} proportional, variants;{nu_{ perpendicular}} , respectively. Also, the tree-size distribution (n_{s}) behaves according to n_{s} approximately s;{-tau} . Here, nu_{ parallel} and nu_{ perpendicular} are the correlation length exponents in the directions parallel and perpendicular to the interface, respectively. Also, tau is a critical exponent. However, due to the interplay between the discrete scale invariance of the underlying fractal substrates and the dynamics of the growing process, all these power laws are modulated by logarithmic periodic oscillations. The fundamental scaling ratios, characteristic of these oscillations, can be linked to the (spatial) fundamental scaling ratio of the underlying fractal by means of relationships involving critical exponents. We argue that the interplay between the spatial discrete scale invariance of the fractal substrate and the dynamics of the physical process occurring in those media is a quite general phenomenon that leads to the observation of logarithmic-periodic modulations of physical observables.

Dynamic behavior of a social model for opinion formation.

The dynamic behavior of a social group influenced by both a strong leader and the mass media, which is modeled according to the social impact theory, is studied under two situations: (i) The strong leader changes his/her state of opinion periodically while the mass media are not considered. In this case, the leader is capable of driving the group between a dynamically ordered state with a weak leader-group coupling (high-frequency regime) and a dynamically disordered state where the group follows the opinion of the leader (low-frequency regime). (ii) The mass-media change periodically their message and have to compete with a strong leader that keeps his/her state of opinion unchanged. In this case, the mass media require an amplitude threshold in order to overcome the influence of the leader and drive the system into a dynamically disordered state. The dynamic behavior characteristic of the studied social opinion model shares many features of physical systems that are relevant in the fields of statistical mechanics and condensed matter.

Numerical evidence of hyperscaling violation in wetting transitions of the random-bond Ising model in d=2 dimensions.

We performed extensive simulations of the random-bond Ising model confined between walls where competitive surface fields act. By properly taking the thermodynamic limit we unambiguously determined wetting transition points of the system, as extrapolation of localization-delocalization transitions of the interface between domains of different orientation driven by the respective fields. The finite-size scaling theory for wetting with short-range fields [E. V. Albano and K. Binder, Phys. Rev. Lett. 109, 036101 (2012)PRLTAO0031-900710.1103/PhysRevLett.109.036101] establishes that the average magnetization of the sample, with critical exponent ß, is the proper order parameter for the study of wetting. While the hyperscaling relationship given by γ+2ß=ν_{∥}+ν_{⊥} requires ß=1/2 (γ=4, ν_{∥}=3, and ν_{⊥}=2), the thermodynamic scaling establishes that Δ_{s}=γ+ß, which in contrast requires ß=0 (Δ_{s}=4), where γ, ν_{∥}, ν_{⊥}, and Δ_{s} are the critical exponents of the susceptibility, the correlation lengths parallel and perpendicular to the interface, and the gap exponent, respectively. So, we formulate a finite-size scaling theory for wetting without hyperscaling and perform numerical simulations that provide strong evidence of hyperscaling violation (i.e., ß=0) and a direct measurement of the susceptibility critical exponent γ/ν_{⊥}=2.0±0.2, in agreement with theoretical results for the strong fluctuation regime of wetting transitions with quenched noise.

Dynamic properties in a family of competitive growing models.

The properties of a wide variety of growing models, generically called X-RD, involving the deposition of particles according to competitive processes, such that a particle is attached to the aggregate with probability p following the mechanisms of a generic model X that provides the correlations and at random [random deposition (RD)] with probability (1-p), are studied by means of numerical simulations and analytic developments. The study comprises the following X models: Ballistic deposition, random deposition with surface relaxation, Das Sarma-Tamboronea, Kim-Kosterlitz, Lai-Das Sarma, Wolf-Villain, large curvature, and three additional models that are variants of the ballistic deposition model. It is shown that after a growing regime, the interface width becomes saturated at a crossover time (tx2) that, by fixing the sample size, scales with p according to tx2(p) proportional variant p-y (P>0), where is an exponent. Also, the interface width at saturation (Wsat) scales as Wsat(p) proportional variant p-delta (p>0), where delta is another exponent. It is proved that, in any dimension, the exponents delta and y obey the following relationship: delta=y beta RD, where beta RD=1/2 is the growing exponent for RD. Furthermore, both exponents exhibit universality in the p --> 0 limit. By mapping the behavior of the average height difference of two neighboring sites in discrete models of type X-RD and two kinds of random walks, we have determined the exact value of the exponent delta. When the height difference between two neighbouring sites corresponds to a random walk that after walking steps returns to a distance from its initial position that is proportional to the maximum distance reached (random walk of type A), one has delta=1/2. On the other hand, when the height difference between two neighboring sites corresponds to a random walk that after steps moves steps towards the initial position (random walk of type B), one has delta=1. Finally, by linking four well-established universality classes (namely Edwards-Wilkinson, Kardar-Parisi-Zhang, linear [molecular beam epitaxy (MBE)] and nonlinear MBE) with the properties of type A and B of random walks, eight different stochastic equations for all the competitive models studied are derived.

Interplay between thermal percolation and jamming upon dimer adsorption on binary alloys.

By means of Monte Carlo simulations we study jamming and percolation processes upon the random sequential adsorption of dimers on binary alloys with different degrees of structural order. The substrates are equimolar mixtures that we simulate using an Ising model with conserved order parameter. After an annealing at temperature T we quench the alloys to freeze the state of order of the surface at this temperature. The deposition is then performed neglecting thermal effects like surface desorption or diffusion. In this way, the annealing temperature is a continuous parameter that characterizes the adsorbing surfaces, shaping the deposition process. As the alloys undergo an order-disorder phase transition at the Onsager critical temperature (Tc), the jamming and percolating properties of the set of deposited dimers are subjected to nontrivial changes, which we summarize in a density-temperature phase diagram. We find that for TT*. Particular attention is focused close to T*, where the interplay between jamming and percolation restricts fluctuations, forcing exponents seemingly different from the standard percolation universality class. By analogy with a thermal transition, we study the onset of percolation using the temperature T as a control parameter. We propose thermal scaling Ansätze to analyze the behavior of the percolation threshold and its thermally induced fluctuations. Also, the fractal dimension of the percolating cluster is determined. Based on these measurements and the excellent data collapse, we conclude that the universality class of standard percolation is preserved for all temperatures.

Tricritical wetting in the two-dimensional Ising magnet due to the presence of localized non-magnetic impurities.

Fixed vacancies (non-magnetic impurities) are placed along the centre of Ising strips in order to study the wetting behaviour in this confined system, by means of numerical simulations analysed with the aid of finite size scaling and thermodynamic integration methods. By considering strips of size L × M (L << M) where short-range competitive surface fields (H(s)) act along the M-direction, we observe localization-delocalization transitions of the interface between magnetic domains of different orientation (driven by the corresponding surface fields), which are the precursors of the wetting transitions that occur in the thermodynamic limit. By placing vacancies or equivalently non-magnetic impurities along the centre of the sample, we found that for low vacancy densities the wetting transitions are of second order, while by increasing the concentration of vacancies the transitions become of first order. Second- and first-order lines meet in tricritical wetting points (H(tric)(SW), T(tric)(W)), where H(tric)(SW) and T(Tric)(W) are the magnitude of the surface field and the temperature, respectively. In the phase diagram, tricritical points shift from the high temperature and weak surface field regime at large vacancy densities to the T --> 0, H(tric)(SW) --> 1 limit for low vacancy densities. By comparing the locations of the tricritical points with those corresponding to the case of mobile impurities, we conclude that in order to observe similar effects, in the latter the required density of impurities is much smaller (e.g. by a factor 3-5). Furthermore, a proper density of non magnetic impurities placed along the centre of a strip can effectively pin rather flat magnetic interfaces for suitable values of the competing surface fields and temperature.

Droplets pinned at chemically inhomogenous substrates: A simulation study of the two-dimensional Ising case.

As a simplified model of a liquid nanostripe adsorbed on a chemically structured substrate surface, a two-dimensional Ising system with two boundaries at which surface fields act is studied. At the upper boundary, the surface field is uniformly negative, while at the lower boundary (a distance L apart), the surface field is negative only outside a range of extension b, where a positive surface stabilizes a droplet of the phase with positive magnetization for temperatures T exceeding the critical temperature T_{w} of the wetting transition of this model. We investigate the local order parameter profiles across the droplet, both in the directions parallel and perpendicular to the substrate, varying both b and T. Also, precursor effects to droplet formation as T approaches T_{w} from below are studied. In accord with theoretical predictions, for T>T_{w} the droplet is found to have the shape of a semiellipse, where the width (distance of the interface from the substrate) scale is proportional to b (b^{1/2}). So, the area of the droplet is proportional to b^{3/2}, and the temperature dependence of the corresponding prefactor, which also involves the interfacial stiffness, is studied.

Pinning-depinning transition in a stochastic growth model for the evolution of cell colony fronts in a disordered medium.

We study a stochastic lattice model for cell colony growth, which takes into account proliferation, diffusion, and rotation of cells, in a culture medium with quenched disorder. The medium is composed of sites that inhibit any possible change in the internal state of the cells, representing the disorder, as well as by active medium sites that do not interfere with the cell dynamics. By means of Monte Carlo simulations we find that the velocity of the growing interface, which is taken as the order parameter of the model, strongly depends on the density of active medium sites (ρ_{A}). In fact, the model presents a (continuous) second-order pinning-depinning transition at a certain critical value of ρ_{A}^{crit}, such as, for ρ_{A}>ρ_{A}^{crit}, the interface moves freely across the disordered medium, but for ρ_{A}<ρ_{A}^{crit} the interface becomes irreversible pinned by the disorder. By determining the relevant critical exponents, our study reveals that within the depinned phase the interface can be rationalized in terms of the Kardar-Parisi-Zhang universality class, but when approaching the critical threshold, the nonlinear term of the Kardar-Parisi-Zhang equation tends to vanish and then the pinned interface belongs to the quenched Edwards-Wilkinson universality class.

Properties of the interfaces generated by the competition between stable and unstable growth models.

Two different growing mechanisms, given by the Eden model (EM) and the unstable Eden model (UEM), are used to numerically explore the properties of the interface generated by a competitive dynamic process in which particles are aggregated according to the rules of the EM with probability (1-p) and following the UEM with probability p . Based on extensive numerical simulations, it is shown that the interface width exhibits a growing regime that at time t(x2) crosses over to a saturation state such that the width (Wsat) remains stationary. It is shown that Wsat and t(x2) depend on both the lattice size L and the probability p . This behavior can be rationalized by proposing new scaling relationships, which are tested numerically. Furthermore, the relevant exponents are determined showing that the instabilities of the UEM dominate the dynamics of the growing process.

Dynamic critical approach to self-organized criticality.

A dynamic scaling ansatz for the approach to the self-organized critical (SOC) regime is proposed and tested by means of extensive simulations applied to the Bak-Sneppen model (BS), which exhibits robust SOC behavior. Considering the short-time scaling behavior of the density of sites [rho(t)] below the critical value, it is shown that (i) starting the dynamics with configurations such that rho(t=0)-->0 one observes an initial increase of the density with exponent theta=0.12(2); (ii) using initial configurations with rho(t=0)-->1, the density decays with exponent delta=0.47(2). It is also shown that the temporal autocorrelation decays with exponent Ca=0.35(2). Using these dynamically determined critical exponents and suitable scaling relationships, all known exponents of the BS model can be obtained, e.g., the dynamical exponent z=2.10(5), the mass dimension exponent D=2.42(5), and the exponent of all returns of the activity tauALL=0.39(2), in excellent agreement with values already accepted and obtained within the SOC regime.

Far-from-equilibrium growth of magnetic thin films with Blume-Capel impurities.

We investigate the irreversible growth of (2+1)-dimensional magnetic thin films. The spin variable can adopt three states (s(I)=±1,0), and the system is in contact with a thermal bath of temperature T. The deposition process depends on the change of the configuration energy, which, by analogy to the Blume-Capel Hamiltonian in equilibrium systems, depends on Ising-like couplings between neighboring spins (J) and has a crystal field (D) term that controls the density of nonmagnetic impurities (s(I)=0). Once deposited, particles are not allowed to flip, diffuse, or detach. By means of extensive Monte Carlo simulations, we obtain the phase diagram in the crystal field vs temperature parameter space. We show clear evidence of the existence of a tricritical point located at D(t)/J=1.145(10) and k(B)T(t)/J=0.425(10), which separates a first-order transition curve at lower temperatures from a critical second-order transition curve at higher temperatures, in analogy with the previously studied equilibrium Blume-Capel model. Furthermore, we show that, along the second-order transition curve, the critical behavior of the irreversible growth model can be described by means of the critical exponents of the two-dimensional Ising model under equilibrium conditions. Therefore, our findings provide a link between well-known theoretical equilibrium models and nonequilibrium growth processes that are of great interest for many experimental applications, as well as a paradigmatic topic of study in current statistical physics.

Interplay between jamming and percolation upon random sequential adsorption of competing dimers and monomers.

The competitive random coadsorption of dimers and monomers, with probabilities P(D) and P(M), such as P(D)+P(M)=1, respectively, is studied numerically by means of Monte Carlo simulations. Excluded volume and nearest-neighbor infinite repulsion between unlike species is considered. The subtle interplay between competitive coadsorption, jamming behavior and the emergency of percolation clusters is analyzed in detail. Taking P(M) as the single parameter of the model, five characteristic regions where the system exhibit different physical behavior can be identified: I) For P(M)< or =P(M1) approximately equal to 0.4025(25) the standard percolation of dimers is observed; II) Within the interval P(M1)

Numerical study of a first-order irreversible phase transition in a CO+NO catalyzed reaction model.

The first-order irreversible phase transition (IPT) of the Yaldran-Khan model [Yaldran-Khan, J. Catal. 131, 369 (1991)] for the CO+NO reaction is studied using the constant-coverage (CC) ensemble and performing epidemic simulations. The CC method allows the study of hysteretic effects close to coexistence as well as the location of both the upper spinodal point and the coexistence point. Epidemic studies show that at coexistence the number of active sites decreases according to a (short-time) power law followed by a (long-time) exponential decay. It is concluded that first-order IPT's share many characteristics of their reversible counterparts, such as the development of short-ranged correlations, hysteretic effects, metastabilities, etc.