Inherent structures dynamics in glasses: a comparative study

A comparative study of the dynamics of inherent structures at low temperatures is performed on different models of glass formers: a three dimensional Lennard-Jones binary mixture (LJBM), facilitated spin models (either symmetrically constrained, SCIC, or asymmetrically, ACIC) and the trap model. We use suitable correlation functions introduced in a previous work which allow to distinguish the behaviour between models with or without spatial or topological structure. Furthermore, the correlations between inherent structures behave differently in the cases of strong (SCIC) and fragile (ACIC, LJBM) glasses, as a consequence of the different role played by energy barriers when the temperature is lowered. The similarities in the behaviour of the ACIC and LJBM suggest a common nature of the glassy dynamics for both systems.Comment: Proceedings of NEXT2003 (News and Expectations in Thermostatistics, Sardinia, Italy, september 2003

Spin and density overlaps in the frustrated Ising lattice gas

We perform large scale simulations of the frustrated Ising lattice gas, a three-dimensional lattice model of a structural glass, using the parallel tempering technique. We evaluate the spin and density overlap distributions, and the corresponding non-linear susceptibilities, as a function of the chemical potential. We then evaluate the relaxation functions of the spin and density self-overlap, and study the behavior of the relaxation times. The results suggest that the spin variables undergo a transition very similar to the one of the Ising spin glass, while the density variables do not show any sign of transition at the same chemical potential. It may be that the density variables undergo a transition at a higher chemical potential, inside the phase where the spins are frozen.Comment: 7 pages, 10 figure

Dynamics of the frustrated Ising lattice gas

The dynamical properties of a three dimensional model glass, the frustrated Ising lattice gas (FILG) are studied by Monte Carlo simulations. We present results of compression experiments, where the chemical potential is either slowly or abruptly changed, as well as simulations at constant density. One time quantities like density and two time ones like correlations, responses and mean square displacements are measured, and the departure from equilibrium clearly characterized. The aging scenario, particularly in the case of density autocorrelations is reminiscent of spin glass phenomenology with violations of the Fluctuation-dissipation theorem, typical of systems with one replica symmetry breaking. The FILG, as a valid on-lattice model of structural glasses can be described with tools developed in spin glass theory and, being a finite dimensional model, can open the way for a systematic study of activated processes in glasses.Comment: to appear in Phys. Rev. E, november (2000

Thermodynamics and statistical mechanics of frozen systems in inherent states

We discuss a Statistical Mechanics approach in the manner of Edwards to the ``inherent states'' (defined as the stable configurations in the potential energy landscape) of glassy systems and granular materials. We show that at stationarity the inherent states are distributed according a generalized Gibbs measure obtained assuming the validity of the principle of maximum entropy, under suitable constraints. In particular we consider three lattice models (a diluted Spin Glass, a monodisperse hard-sphere system under gravity and a hard-sphere binary mixture under gravity) undergoing a schematic ``tap dynamics'', showing via Monte Carlo calculations that the time average of macroscopic quantities over the tap dynamics and over such a generalized distribution coincide. We also discuss about the general validity of this approach to non thermal systems.Comment: 10 pages, 16 figure

Effective interaction between helical bio-molecules

The effective interaction between two parallel strands of helical bio-molecules, such as deoxyribose nucleic acids (DNA), is calculated using computer simulations of the "primitive" model of electrolytes. In particular we study a simple model for B-DNA incorporating explicitly its charge pattern as a double-helix structure. The effective force and the effective torque exerted onto the molecules depend on the central distance and on the relative orientation. The contributions of nonlinear screening by monovalent counterions to these forces and torques are analyzed and calculated for different salt concentrations. As a result, we find that the sign of the force depends sensitively on the relative orientation. For intermolecular distances smaller than $6\AA$ it can be both attractive and repulsive. Furthermore we report a nonmonotonic behaviour of the effective force for increasing salt concentration. Both features cannot be described within linear screening theories. For large distances, on the other hand, the results agree with linear screening theories provided the charge of the bio-molecules is suitably renormalized.Comment: 18 pages, 18 figures included in text, 100 bibliog

Spatially heterogeneous ages in glassy dynamics

We construct a framework for the study of fluctuations in the nonequilibrium relaxation of glassy systems with and without quenched disorder. We study two types of two-time local correlators with the aim of characterizing the heterogeneous evolution: in one case we average the local correlators over histories of the thermal noise, in the other case we simply coarse-grain the local correlators. We explain why the former describe the fingerprint of quenched disorder when it exists, while the latter are linked to noise-induced mesoscopic fluctuations. We predict constraints on the pdfs of the fluctuations of the coarse-grained quantities. We show that locally defined correlations and responses are connected by a generalized local out-of-equilibrium fluctuation-dissipation relation. We argue that large-size heterogeneities in the age of the system survive in the long-time limit. The invariance of the theory under reparametrizations of time underlies these results. We relate the pdfs of local coarse-grained quantities and the theory of dynamic random manifolds. We define a two-time dependent correlation length from the spatial decay of the fluctuations in the two-time local functions. We present numerical tests performed on disordered spin models in finite and infinite dimensions. Finally, we explain how these ideas can be applied to the analysis of the dynamics of other glassy systems that can be either spin models without disorder or atomic and molecular glassy systems.Comment: 47 pages, 60 Fig

Relaxation dynamics near the sol–gel transition: From cluster approach to mode-coupling theory

A long standing problem in glassy dynamics is the geometrical interpretation of clusters and the role they play in the observed scaling laws. In this context, the mode-coupling theory (MCT) of type-A transition and the sol–gel transition are both characterized by a structural arrest to a disordered state in which the long-time limit of the correlator continuously approaches zero at the transition point. In this paper, we describe a cluster approach to the sol-gel transition and explore its predictions, including universal scaling laws and a new stretched relaxation regime close to criticality. We show that while MCT consistently describes gelation at mean-field level, the percolation approach elucidates the geometrical character underlying MCT scaling laws

Exact results for two-dimensional coarsening

64.60.Cn Order-disorder transformations; statistical mechanics of model systems, 64.60.Ht Dynamic critical phenomena,