arXiv subjects

G. M. Buendia

Publications and source records attributed to G. M. Buendia.

17 recordsLinked to original sources

arXiv2014

Mass media and heterogeneous bounds of confidence in continuous opinion dynamics

This work focus on the effects of an external mass media on continuous opinion dynamics with heterogeneous bounds of confidence. We modified the original Deffuant et al. and Hegselmann and Krause models to incorporate both, an external mass media and a heterogeneous distribution of confidence levels. We analysed two cases, one where only two bounds of confidence are taken into account, and other were each individual of the system has her/his own characteristic level of confidence. We found that, in the absence of mass media, diversity of bounds of confidence can improve the capacity of the systems to reach consensus. We show that the persuasion capacity of the external message is optimal for intermediate levels of heterogeneity. Our simulations also show the existence, for certain parameter values, of a counter-intuitive effect in which the persuasion capacity of the mass media decreases if the mass media intensity is too large. We discuss similarities and differences between the two heterogeneous versions of these continuous opinion dynamic models under the influence of mass media.

physics.soc-ph↗

arXiv2013

Model for the catalytic oxidation of CO, including gas-phase impurities and CO desorption

We present results of kinetic Monte Carlo simulations of a modified Ziff-Gulari-Barshad model for the reaction CO+O --> CO_2 on a catalytic surface. Our model includes impurities in the gas phase, CO desorption, and a modification known to eliminate the unphysical O poisoned phase. The impurities can adsorb and desorb on the surface, but otherwise remain inert. In a previous work that did not include CO desorption [G. M. Buendia and P. A. Rikvold, Phys. Rev. E, 85 031143 (2012)], we found that the impurities have very distinctive effects on the phase diagram and greatly diminish the reactivity of the system. If the impurities do not desorb, once the system reaches a stationary state, the CO_2 production disappears. When the impurities are allowed to desorb, there are regions where the CO_2 reaction window reappears, although greatly reduced. Following experimental evidence that indicates that temperature effects are crucial in many catalytic processes, here we further analyze these effects by including a CO desorption rate. We find that the CO desorption has the effect to smooth the transition between the reactive and the CO rich phase, and most importantly it can counteract the negative effects of the presence of impurities by widening the reactive window such that now the system remains catalytically active in the whole range of CO pressures.

cond-mat.mtrl-sci↗

arXiv2012

Effects of inert species in the gas phase in a model for the catalytic oxidation of CO

We study by kinetic Monte Carlo simulations the catalytic oxidation of carbon monoxide on a surface in the presence of contaminants in the gas phase. The process is simulated by a Ziff-Gulari-Barshad (ZGB) model that has been modified to include the effect of the contaminants and to eliminate the unphysical oxygen-poisoned phase. The impurities can adsorb and desorb on the surface, but otherwise remain inert. We find that, if the impurities can not desorb, no matter how small their proportion in the gas mixture, the first order transition and the reactive window that characterize the ZGB model disappear. The coverages become continuous, and once the surface has reached a steady state there is no production of CO$_2$. This is quite different from the behavior of a system in which the surface presents a fixed percentage of impurities. When the contaminants are allowed to desorb, the reactive window appears again, and disappears at a value that depends on the proportion of contaminants in the gas and on their desorption rate.

physics.chem-ph↗

arXiv2011

Comparison between different oxygen adsorption mechanisms for the catalytic oxidation of CO on a surface

We study by kinetic Monte Carlo simulations the dynamic behavior of a Ziff-Gulari-Barshad (ZGB) model for the catalytic oxidation of CO on a surface. It is well known that the ZGB model presents a continuous transition between an oxygen poisoned state and a reactive state that it is not observed in nature. Based on some experimental results that indicate that the oxygen atoms move away from each other upon dissociation at the surface, we modify the standard ZGB model by changing the entrance mechanism of the oxygen molecule. We study three different ways in which the oxygen atoms can be adsorbed at the surface such that the nonphysical continuous phase transition disappears. We calculate the phase diagram for the three cases and study the effects of including a CO desorption mechanism.

cond-mat.mes-hall↗

arXiv2009

Effect of CO desorption and coadsorption with O on the phase diagram of a Ziff-Gulari-Barshad model for the catalytic oxidation of CO

We study the effect of coadsorption of CO and O on a Ziff-Gulari-Barshad (ZGB) model with CO desorption (ZGB-d) for the reaction CO + O --> CO_2 on a catalytic surface. Coadsorption of CO on a surface site already occupied by an O is introduced by an Eley-Rideal-type mechanism that occurs with probability p, 0 <= p <= 1. We find that, besides the well known effect of eliminating the second-order phase transition between the reactive state and an O-poisoned state, the coadsorption step has a strong effect on the transition between the reactive state and the CO-poisoned state. The coexistence curve between these two states terminates at a critical value k_c of the desorption rate k which now depends on p. Our Monte Carlo simulations and finite-size scale analysis indicate that k_c decreases with increasing values of p. For p=1, there appears to be a sharp phase transition between the two states only for k at(or near) zero.

cond-mat.stat-mech↗

arXiv2007

Numerical Study of a Three-Dimensional Mixed Ising Ferrimagnet in the Presence of an External Field

We present a numerical study based on Monte Carlo algorithm of the magnetic properties of a mixed Ising ferrimagnetic model on a cubic lattice where spins $σ=\pm 1/2$ and spins $S=0,\pm 1$ are in alternating sites on the lattice. We carried out exact ground state calculations and employ a Monte Carlo simulation to obtain the finite-temperature phase diagram of the model. A compensation point appears when the next-nearest-neighbor interaction between the spins $σ=\pm 1/2$ exceeds a minimum value. We found a strong dependence of the compensation temperature with the interactions in the Hamiltonian, particulary the crystal field and the external field. An applied field can change the range of values of the compensation temperature from zero up to a maximum value that depends on the field.

cond-mat.stat-mech↗

arXiv2006

Response of a Model of CO Oxidation with CO Desorption and Diffusion to a Periodic External CO Pressure

We present a study of the dynamical behavior of a Ziff-Gulari-Barshad model with CO desorption and lateral diffusion. Depending on the values of the desorption and diffusion parameters, the system presents a discontinuous phase transition between low and high CO coverage phases. We calculate several points on the coexistence curve between these phases. Inclusion of the diffusion term produces a significant increase in the CO_2 production rate. We further applied a square-wave periodic pressure variation of the partial CO pressure with parameters that can be tuned to modify the catalytic activity. Contrary to the diffusion-free case, this driven system does not present a further enhancement of the catalytic activity, beyond the increase induced by the diffusion under constant CO pressure.

cond-mat.mtrl-sci↗

arXiv2006

Microstructure and velocity of field-driven solid-on-solid interfaces moving under stochastic dynamics with local energy barriers

We study the microscopic structure and the stationary propagation velocity of (1+1)-dimensional solid-on-solid interfaces in an Ising lattice-gas model, which are driven far from equilibrium by an applied force, such as a magnetic field or a difference in (electro)chemical potential. We use an analytic nonlinear-response approximation [P.A. Rikvold and M. Kolesik, J. Stat. Phys. 100, 377 (2000)] together with kinetic Monte Carlo simulations. Here we consider interfaces that move under Arrhenius dynamics, which include a microscopic energy barrier between the allowed Ising/lattice-gas states. Two different dynamics are studied: the standard one-step dynamic (OSD) [H.C. Kang and W. Weinberg, J. Chem. Phys. 90, 2824 (1992)] and the two-step transition-dynamics approximation (TDA) [T. Ala-Nissila, J. Kjoll, and S.C. Ying, Phys. Rev. B 46, 846 (1992)]. In the OSD the effects of the applied force and the interaction energies in the model factorize in the transition rates (a soft dynamic), while in the TDA such factorization is not possible (a hard dynamic). In full agreement with previous general theoretical results we find that the local interface width under the TDA increases dramatically with the applied force. In contrast, the interface structure with the OSD is only weakly influenced by the force, in qualitative agreement with the theoretical expectations. Results are also obtained for the force-dependence and anisotropy of the interface velocity, which also show differences in good agreement with the theoretical expectations for the differences between soft and hard dynamics. Our results confirm that different stochastic interface dynamics that all obey detailed balance and the same conservation laws nevertheless can lead to radically different interface responses to an applied force.

cond-mat.mtrl-sci↗

arXiv2005

Field-driven solid-on-solid interfaces moving under a stochastic Arrhenius dynamic: effects of the barrier height

We present analytical results and kinetic Monte Carlo simulations for the mobility and microscopic structure of solid-on-solid (SOS) interfaces driven far from equilibrium by an external force, such as an applied field or (electro)chemical potential difference. The interfaces evolve under a specific stochastic dynamic with a local energy barrier (an Arrhenius dynamic), known as the transition dynamics approximation (TDA). We calculate the average height of steps on the interface, the average interface velocity, and the skewness of the interface as functions of the driving force and the height of the energy barrier. We find that the microscopic interface structure depends quite strongly on the barrier height. As the barrier becomes higher, the local interface width decreases and the skewness increases, suggesting increasing short-range correlations between the step heights.

cond-mat.mtrl-sci↗

arXiv2005

Decay of Metastable Nonequilibrium Phases, Enhanced Reaction Rate, and Dynamic Phase Transition in a Model of CO Oxidation with CO Desorption

We present a computational study of the dynamic behavior of a Ziff-Gulari-Barshad model of CO oxidation with CO desorption on a catalytic surface. Our results provide further evidence that below a critical desorption rate the model exhibits a non-equilibrium, first-order phase transition between low and high CO coverage phases. Our kinetic Monte Carlo simulations indicate that the transition process between these phases follows a decay mechanism very similar to the one described by the classic Kolmogorov-Johnson-Mehl-Avrami theory of phase transformation by nucleation and growth. We measure the lifetimes of the metastable phases on each side of the transition line and find that they are strongly dependent on the direction of the transformation, i.e., from low to high coverage or vice versa. Inspired by this asymmetry, we introduce a square-wave periodic external forcing, whose two parameters can be tuned to enhance the catalytic activity. At CO desorption rates below the critical value, we find that this far-from-equilibrium system undergoes a dynamic phase transition between a CO_2 productive phase and a nonproductive one. In the space of the parameters of the periodic external forcing, this nonequilibrium phase transition defines a line of critical points. The maximum enhancement rate for the CO_2 production rate occurs near this critical line.

cond-mat.mtrl-sci↗

arXiv2005

Decay of metastable phases in a model for the catalytic oxidation of CO

We study by kinetic Monte Carlo simulations the dynamic behavior of a Ziff-Gulari-Barshad model with CO desorption for the reaction CO + O $\to$ CO$_2$ on a catalytic surface. Finite-size scaling analysis of the fluctuations and the fourth-order order-parameter cumulant show that below a critical CO desorption rate, the model exhibits a nonequilibrium first-order phase transition between low and high CO coverage phases. We calculate several points on the coexistence curve. We also measure the metastable lifetimes associated with the transition from the low CO coverage phase to the high CO coverage phase, and {\it vice versa}. Our results indicate that the transition process follows a mechanism very similar to the decay of metastable phases associated with {\it equilibrium} first-order phase transitions and can be described by the classic Kolmogorov-Johnson-Mehl-Avrami theory of phase transformation by nucleation and growth. In the present case, the desorption parameter plays the role of temperature, and the distance to the coexistence curve plays the role of an external field or supersaturation. We identify two distinct regimes, depending on whether the system is far from or close to the coexistence curve, in which the statistical properties and the system-size dependence of the lifetimes are different, corresponding to multidroplet or single-droplet decay, respectively. The crossover between the two regimes approaches the coexistence curve logarithmically with system size, analogous to the behavior of the crossover between multidroplet and single-droplet metastable decay near an equilibrium first-order phase transition.

cond-mat.stat-mech↗

arXiv2003

Surface scaling analysis of hydrogels: From multiaffine to self-affine scaling

We show that smoothing of multiaffine surfaces that are generated by simulating a crosslinked polymer gel by a frustrated, triangular network of springs of random equilibrium lengths [G.M. Buend{\'ı}a, S.J. Mitchell, P.A. Rikvold, Phys. Rev. E 66 (2002) 046119] changes the scaling behavior of the surfaces such that they become self-affine. The self-affine behavior is consistent with recent atomic force microscopy (AFM) studies of the surface structure of crosslinked polymer gels into which voids are introduced through templating by surfactant micelles [M. Chakrapani, S.J. Mitchell, D.H. Van Winkle, P.A. Rikvold, J. Colloid Interface Sci., in press]. The smoothing process mimics the effect of the AFM tip that tends to flatten the soft gel surfaces. Both the experimental and the simulated surfaces have a non-trivial scaling behavior on small length scales, with a crossover to scale-independent behavior on large scales.

cond-mat.stat-mech↗

arXiv2002

Surface Scaling Analysis of a Frustrated Spring-network Model for Surfactant-templated Hydrogels

We propose and study a simplified model for the surface and bulk structures of crosslinked polymer gels, into which voids are introduced through templating by surfactant micelles. Such systems were recently studied by Atomic Force Microscopy [M. Chakrapani et al., e-print cond-mat/0112255]. The gel is represented by a frustrated, triangular network of nodes connected by springs of random equilibrium lengths. The nodes represent crosslinkers, and the springs correspond to polymer chains. The boundaries are fixed at the bottom, free at the top, and periodic in the lateral direction. Voids are introduced by deleting a proportion of the nodes and their associated springs. The model is numerically relaxed to a representative local energy minimum, resulting in an inhomogeneous, ``clumpy'' bulk structure. The free top surface is defined at evenly spaced points in the lateral (x) direction by the height of the topmost spring, measured from the bottom layer, h(x). Its scaling properties are studied by calculating the root-mean-square surface width and the generalized increment correlation functions C_q(x)= <|h(x_0+x)-h(x_0)|^q>. The surface is found to have a nontrivial scaling behavior on small length scales, with a crossover to scale-independent behavior on large scales. As the vacancy concentration approaches the site-percolation limit, both the crossover length and the saturation value of the surface width diverge in a manner that appears to be proportional to the bulk connectivity length. This suggests that a percolation transition in the bulk also drives a similar divergence observed in surfactant templated polyacrylamide gels at high surfactant concentrations.

cond-mat.soft↗

arXiv2000

Magnetic Behavior of a Mixed Ising Ferrimagnetic Model in an Oscillating Magnetic Field

The magnetic behavior of a mixed Ising ferrimagnetic system on a square lattice, in which the two interpenetrating square sublattices have spins +- 1/2 and spins +-1,0, in the presence of an oscillating magnetic field has been studied with Monte Carlo techniques. The model includes nearest and next-nearest neighbor interactions, a crystal field and the oscillating external field. By studying the hysteretic response of this model to an oscillating field we found that it qualitatively reproduces the increasing of the coercive field at the compensation temperature observed in real ferrimagnets, a crucial feature for magneto-optical applications. This behavior is basically independent of the frequency of the field and the size of the system. The magnetic response of the system is related to a dynamical transition from a paramagnetic to a ferromagnetic phase and to the different temperature dependence of the relaxation times of both sublattices.

cond-mat↗

arXiv1998

Compensation Temperature of a Mixed Ising Ferrimagnetic Model in the Presence of External Magnetic Fields

The behavior of the compensation temperature of a mixed Ising ferrimagnetic system on a square lattice in which the two interpenetrating square sublattices have spins $σ$ ($\pm 1/2$) and spins $S$ ($\pm 1,0$) has been studied with Monte Carlo methods. Our model includes nearest and next-nearest neighbor interactions, a crystal field and an external magnetic field. This model is relevant for understanding bimetallic molecular ferrimagnetic materials. We found that there is a narrow range of parameters of the Hamiltonian for which the model has compensation temperatures and that the compensation point exists only for small values of the external field.

cond-mat.mtrl-sci↗

arXiv1998

Kinetics of a mixed Ising ferrimagnetic system

We present a study, within a mean-field approach, of the kinetics of a classical mixed Ising ferrimagnetic model on a square lattice, in which the two interpenetrating square sublattices have spins $σ= \pm1/2$ and $S = \pm 1,0$. The kinetics is described by a Glauber-type stochastic dynamics in the presence of a time-dependent oscillating external field and a crystal field interaction. We can identify two types of solutions: a symmetric one, where the total magnetization, $M$, oscillates around zero, and an antisymmetric one where $M$ oscillates around a finite value different from zero. There are regions of the phase space where both solutions coexist. The dynamical transition from one regime to the other can be of first or second order depending on the region in the phase diagram. Depending on the value of the crystal field we found up to two dynamical tricritical points where the transition changes from continuous to discontinuous. Also, we perform a similar study on the Blume-Capel ($S=\pm 1,0$) model and found strong differences between its behavior and the one of the mixed model.

cond-mat.stat-mech↗

arXiv1995

Numerical Study of a Mixed Ising Ferrimagnetic System

We present a study of a classical ferrimagnetic model on a square lattice in which the two interpenetrating square sublattices have spins one-half and one. This model is relevant for understanding bimetallic molecular ferrimagnets that are currently being synthesized by several experimental groups. We perform exact ground-state calculations for the model and employ Monte Carlo and numerical transfer-matrix techniques to obtain the finite-temperature phase diagram for both the transition and compensation temperatures. When only nearest-neighbor interactions are included, our nonperturbative results indicate no compensation point or tricritical point at finite temperature, which contradicts earlier results obtained with mean-field analysis.

cond-mat↗