arXiv subjects

A. Fierro

Publications and source records attributed to A. Fierro.

At least 19 recordsLinked to original sources

arXiv2014

Crossover from Super- to Sub-Diffusive Motion and Memory Effects in Crystalline Organic Semiconductors

The transport properties at finite temperature of crystalline organic semiconductors are investigated, within the Su-Schrieffer-Heeger model, by combining exact diagonalization technique, Monte Carlo approaches, and maximum entropy method. The temperature-dependent mobility data measured in single crystals of rubrene are successfully reproduced: a crossover from super- to sub-diffusive motion occurs in the range $150 \leq T \leq 200$ K, where the mean free path becomes of the order of the lattice parameter and strong memory effects start to appear. We provide an effective model which can successfully explain low frequencies features of the absorption spectra. The observed response to slowly varying electric field is interpreted by means of a simple model where the interaction between the charge carrier and lattice polarization modes is simulated by a harmonic interaction between a fictitious particle and an electron embedded in a viscous fluid.

cond-mat.mtrl-sci↗

arXiv2009

Emergence of complex behavior in gelling systems starting from simple behavior of single clusters

A theoretical and numerically study of dynamical properties in the sol-gel transition is presented. In particular, the complex phenomenology observed experimentally and numerically in gelling systems is reproduced in the framework of percolation theory, under simple assumptions on the relaxation of single clusters. By neglecting the correlation between particles belonging to different clusters, the quantities of interest (such as the self intermediate scattering function, the dynamical susceptibility, the Van-Hove function, and the non-Gaussian parameter) are written as superposition of those due to single clusters. Connection between these behaviors and the critical exponents of percolation are given. The theoretical predictions are checked in a model for permanent gels, where bonds between monomers are described by a finitely extendable nonlinear elastic potential. The data obtained in the numerical simulations are in good agreement with the analytical predictions.

cond-mat.soft↗

arXiv2008

Dynamical heterogeneity in a model for permanent gels: Different behavior of dynamical susceptibilities

We present a systematic study of dynamical heterogeneity in a model for permanent gels, upon approaching the gelation threshold. We find that the fluctuations of the self intermediate scattering function are increasing functions of time, reaching a plateau whose value, at large length scales, coincides with the mean cluster size and diverges at the percolation threshold. Another measure of dynamical heterogeneities, i.e. the fluctuations of the self-overlap, displays instead a peak and decays to zero at long times. The peak, however, also scales as the mean cluster size. Arguments are given for this difference in the long time behavior. We also find that non-Gaussian parameter reaches a plateau in the long time limit. The value of the plateau of the non-Gaussian parameter, which is connected to the fluctuations of diffusivity of clusters, increases with the volume fraction and remains finite at percolation threshold.

cond-mat.soft↗

arXiv2007

Dynamic heterogeneities in attractive colloids

We study the formation of a colloidal gel by means of Molecular Dynamics simulations of a model for colloidal suspensions. A slowing down with gel-like features is observed at low temperatures and low volume fractions, due to the formation of persistent structures. We show that at low volume fraction the dynamic susceptibility, which describes dynamic heterogeneities, exhibits a large plateau, dominated by clusters of long living bonds. At higher volume fraction, where the effect of the crowding of the particles starts to be present, it crosses over towards a regime characterized by a peak. We introduce a suitable mean cluster size of clusters of monomers connected by "persistent" bonds which well describes the dynamic susceptibility.

cond-mat.soft↗

arXiv2006

Static and dynamic heterogeneities in irreversible gels and colloidal gelation

We compare the slow dynamics of irreversible gels, colloidal gels, glasses and spin glasses by analyzing the behavior of the so called non-linear dynamical susceptibility, a quantity usually introduced to quantitatively characterize the dynamical heterogeneities. In glasses this quantity typically grows with the time, reaches a maximum and then decreases at large time, due to the transient nature of dynamical heterogeneities and to the absence of a diverging static correlation length. We have recently shown that in irreversible gels the dynamical susceptibility is instead an increasing function of the time, as in the case of spin glasses, and tends asymptotically to the mean cluster size. On the basis of molecular dynamics simulations, we here show that in colloidal gelation where clusters are not permanent, at very low temperature and volume fractions, i.e. when the lifetime of the bonds is much larger than the structural relaxation time, the non-linear susceptibility has a behavior similar to the one of the irreversible gel, followed, at higher volume fractions, by a crossover towards the behavior of glass forming liquids.

cond-mat.soft↗

arXiv2006

Columnar and lamellar phases in attractive colloidal systems

In colloidal suspensions, the competition between attractive and repulsive interactions gives rise to a rich and complex phenomenology. Here, we study the equilibrium phase diagram of a model system using a DLVO interaction potential by means of molecular dynamics simulations and a thermodynamical approach. As a result, we find tubular and lamellar phases at low volume fraction. Such phases, extremely relevant for designing new materials, may be not easily observed in the experiments because of the long relaxation times and the presence of defects.

cond-mat.soft↗

arXiv2006

Static and dynamic heterogeneities in a model for irreversible gelation

We study the structure and the dynamics in the formation of irreversible gels by means of molecular dynamics simulation of a model system where the gelation transition is due to the random percolation of permanent bonds between neighboring particles. We analyze the heterogeneities of the dynamics in terms of the fluctuations of the intermediate scattering functions: In the sol phase close to the percolation threshold, we find that this dynamical susceptibility increases with the time until it reaches a plateau. At the gelation threshold this plateau scales as a function of the wave vector $k$ as $k^{η-2}$, with $η$ being related to the decay of the percolation pair connectedness function. At the lowest wave vector, approaching the gelation threshold it diverges with the same exponent $γ$ as the mean cluster size. These findings suggest an alternative way of measuring critical exponents in a system undergoing chemical gelation.

cond-mat.soft↗

arXiv2006

Granular segregation under vertical tapping

We present extensive Molecular Dynamics simulations on species segregation in a granular mixture subject to vertical taps. We discuss how grain properties, e.g., size, density, friction, as well as, shaking properties, e.g., amplitude and frequency, affect such a phenomenon. Both Brazil Nut Effect (larger particles on the top, BN) and the Reverse Brazil Nut Effect (larger particles on the bottom, RBN) are found and we derive the system comprehensive ``segregation diagram'' and the BN to RBN crossover line. We also discuss the role of friction and show that particles which differ only for their frictional properties segregate in states depending on the tapping acceleration and frequency.

cond-mat.soft↗

arXiv2005

Colloidal gelation, percolation and structural arrest

By means of molecular dynamics, we study a model system for colloidal suspensions where the interaction is based on a competition between attraction and repulsion. At low temperatures the relaxation time $τ$ first increases as a power law as a function of the volume fraction $ϕ$ and then, due to the finite lifetime of the bonded structures, it deviates from this critical behavior. We show that colloidal gelation at low temperatures and low volume fractions is crucially related to the formation of spanning long living cluster. Besides agreeing with experimental findings in different colloidal systems, our results shed new light on the different role played by the formation of long living bonds and the crowding of the particles in colloidal structural arrest.

cond-mat.soft↗

arXiv2005

Complex viscosity behavior and cluster formation in attractive colloidal systems

The increase of the viscosity, which is observed in attractive colloidal systems by varying the temperature or the volume fraction, can be related to the formation of structures due to particle aggregation. In particular we have studied the non trivial dependence of the viscosity from the temperature and the volume fraction in the copolymer-micellar system L64. The comparison of the experimental data with the results of numerical simulations in a simple model for gelation phenomena suggests that this intriguing behavior can be explained in terms of cluster formation and that this picture can be quite generally extended to other attractive colloidal systems.

cond-mat.stat-mech↗

arXiv2005

Size segregation in granular media induced by phase transition

In order to study analytically the nature of the size segregation in granular mixtures, we introduce a mean field theory in the framework of a statistical mechanics approach, based on Edwards' original ideas. For simplicity we apply the theory to a lattice model for hard sphere binary mixture under gravity, and we find a new purely thermodynamic mechanism which gives rise to the size segregation phenomenon. By varying the number of small grains and the mass ratio, we find a crossover from Brasil nut to reverse Brasil nut effect, which becomes a true phase transition when the number of small grains is larger then a critical value. We suggest that this transition is induced by the effective attraction between large grains due to the presence of small ones (depletion force). Finally the theoretical results are confirmed by numerical simulations of the 3d system under taps.

cond-mat.stat-mech↗

arXiv2004

Jamming transition in granular media: A mean field approximation and numerical simulations

In order to study analytically the nature of the jamming transition in granular material, we have considered a cavity method mean field theory, in the framework of a statistical mechanics approach, based on Edwards' original idea. For simplicity we have applied the theory to a lattice model and a transition with exactly the same nature of the glass transition in mean field models for usual glass formers is found. The model is also simulated in three dimensions under tap dynamics and a jamming transition with glassy features is observed. In particular two step decays appear in the relaxation functions and dynamic heterogeneities resembling ones usually observed in glassy systems. These results confirm early speculations about the connection between the jamming transition in granular media and the glass transition in usual glass formers, giving moreover a precise interpretation of its nature.

cond-mat.stat-mech↗

arXiv2004

Statistical Mechanics of segregation in binary granular mixtures

We discuss mixing/segregation phenomena in a schematic hard spheres lattice model for binary mixtures of granular media, by analytical evaluation, within Bethe-Peierls approximation, of Edwards' partition function. The presence of fluid-crystal phase transitions in the system drives segregation as a form of phase separation. Within a pure phase, gravity can also induce a kind of vertical segregation not associated to phase transitions.

cond-mat.stat-mech↗

arXiv2004

Glass transition in granular media

In the framework of schematic hard spheres lattice models for granular media we investigate the phenomenon of the ``jamming transition''. In particular, using Edwards' approach, by analytical calculations at a mean field level, we derive the system phase diagram and show that ``jamming'' corresponds to a phase transition from a ``fluid'' to a ``glassy'' phase, observed when crystallization is avoided. Interestingly, the nature of such a ``glassy'' phase turns out to be the same found in mean field models for glass formers.

cond-mat.stat-mech↗

arXiv2004

Slow dynamics in gelation phenomena: From chemical gels to colloidal glasses

We here discuss the results of 3d MonteCarlo simulations of a minimal lattice model for gelling systems. We focus on the dynamics, investigated by means of the time autocorrelation function of the density fluctuations and the particle mean square displacement. We start from the case of chemical gelation, i.e. with permanent bonds, we characterize the critical dynamics as determined by the formation of the percolating cluster, as actually observed in polymer gels. By opportunely introducing a finite bond life time $τ_b$ the dynamics displays relevant changes and eventually the onset of a glassy regime. This has been interpreted in terms of a crossover to dynamics more typical of colloidal systems and a novel connection between classical gelation and recent results on colloidal systems is suggested. By systematically comparing the results in the case of permanent bonds to finite bond lifetime, the crossover and the glassy regime can be understood in terms of effective clusters.

cond-mat.soft↗

arXiv2004

Statistical Mechanics of jamming and segregation in granular media

In the framework of schematic hard spheres lattice models we discuss Edwards' Statistical Mechanics approach to granular media. As this approach appears to hold here to a very good approximation, by analytical calculations of Edwards' partition function at a mean field level we derive the system phase diagram and show that ``jamming'' corresponds to a phase transition from a ``fluid'' to a ``glassy'' phase, observed when crystallization is avoided. The nature of such a ``glassy'' phase turns out to be the same found in mean field models for glass formers. In the same context, we also briefly discuss mixing/segregation phenomena of binary mixtures: the presence of fluid-crystal phase transitions drives segregation as a form of phase separation and, within a given phase, gravity can also induce a kind of ``vertical'' segregation, usually not associated to phase transitions.

cond-mat.stat-mech↗

arXiv2003

A unifying model for chemical and colloidal gels

We investigate the slow dynamics in gelling systems by means of MonteCarlo simulations on the cubic lattice of a minimal statistical mechanics model. By opportunely varying some model parameter we are able to describe a crossover from the chemical gelation behaviour to dynamics more typical of colloidal systems. The results suggest a novel connection linking classical gelation, as originally described by Flory, to more recent results on colloidal systems.

cond-mat.soft↗

arXiv2001

Autocorrelation functions in 3D fully frustrated systems

We present a numerical study of autocorrelation functions of a 3D Fully Frustrated Ising model (FFIM) simulated by spin-flip Monte Carlo dynamics, finding simple exponential decay for all the temperature above the critical temperature T_c for the autocorrelation of squared magnetization, and stretched exponential decay for the energy autocorrelation below a temperature T^* with T_c < T^* =< T_p where T_p is the Kasteleyn-Fortuin and Coniglio-Klein percolation temperature. The results are compared to those on 2D FFIM to give insight on the relevant mechanism in the onset of stretched exponential relaxation functions.

cond-mat.stat-mech↗