Energy Landscape and Overlap Distribution of Binary Lennard-Jones Glasses

We study the distribution of overlaps of glassy minima, taking proper care of residual symmetries of the system. Ensembles of locally stable, low lying glassy states are efficiently generated by rapid cooling from the liquid phase which has been equilibrated at a temperature $T_{run}$. Varying $T_{run}$, we observe a transition from a regime where a broad range of states are sampled to a regime where the system is almost always trapped in a metastable glassy state. We do not observe any structure in the distribution of overlaps of glassy minima, but find only very weak correlations, comparable in size to those of two liquid configurations.Comment: 7 pages, 5 figures, uses europhys-style. Minor notational changes, typos correcte

Thermal Equilibrium with the Wiener Potential: Testing the Replica Variational Approximation

We consider the statistical mechanics of a classical particle in a one-dimensional box subjected to a random potential which constitutes a Wiener process on the coordinate axis. The distribution of the free energy and all correlation functions of the Gibbs states may be calculated exactly as a function of the box length and temperature. This allows for a detailed test of results obtained by the replica variational approximation scheme. We show that this scheme provides a reasonable estimate of the averaged free energy. Furthermore our results shed more light on the validity of the concept of approximate ultrametricity which is a central assumption of the replica variational method.Comment: 6 pages, 1 file LaTeX2e generating 2 eps-files for 2 figures automaticall

Saddles on the potential energy landscape of a Lennard-Jones liquid

By means of molecular dynamics simulations, we study the stationary points of the potential energy in a Lennard-Jones liquid, giving a purely geometric characterization of the energy landscape of the system. We find a linear relation between the degree of instability of the stationary points and their potential energy, and we locate the energy where the instability vanishes. This threshold energy marks the border between saddle-dominated and minima-dominated regions of the energy landscape. The temperature where the potential energy of the Stillinger-Weber minima becomes equal to the threshold energy turns out to be very close to the mode-coupling transition temperature.Comment: Invited talk presented by A.C. at the Conference: Disordered and Complex Systems, King's College London, July 200

Upper bounds on the density of states of single Landau levels broadened by Gaussian random potentials

We study a non-relativistic charged particle on the Euclidean plane R^2 subject to a perpendicular constant magnetic field and an R^2-homogeneous random potential in the approximation that the corresponding random Landau Hamiltonian on the Hilbert space L^2(R^2) is restricted to the eigenspace of a single but arbitrary Landau level. For a wide class of Gaussian random potentials we rigorously prove that the associated restricted integrated density of states is absolutely continuous with respect to the Lebesgue measure. We construct explicit upper bounds on the resulting derivative, the restricted density of states. As a consequence, any given energy is seen to be almost surely not an eigenvalue of the restricted random Landau Hamiltonian.Comment: 16 pages, to appear in "Journal of Mathematical Physics

A model for gelation with explicit solvent effects: Structure and dynamics

We study a two-component model for gelation consisting of $f$-functional monomers (the gel) and inert particles (the solvent). After equilibration as a simple liquid, the gel particles are gradually crosslinked to each other until the desired number of crosslinks has been attained. At a critical crosslink density the largest gel cluster percolates and an amorphous solid forms. This percolation process is different from ordinary lattice or continuum percolation of a single species in the sense that the critical exponents are new. As the crosslink density $p$ approaches its critical value $p_c$, the shear viscosity diverges: $\eta(p)\sim (p_c-p)^{-s}$ with $s$ a nonuniversal concentration-dependent exponent.Comment: 6 pages, 9 figure

Goldstone-type fluctuations and their implications for the amorphous solid state

In sufficiently high spatial dimensions, the formation of the amorphous (i.e. random) solid state of matter, e.g., upon sufficent crosslinking of a macromolecular fluid, involves particle localization and, concommitantly, the spontaneous breakdown of the (global, continuous) symmetry of translations. Correspondingly, the state supports Goldstone-type low energy, long wave-length fluctuations, the structure and implications of which are identified and explored from the perspective of an appropriate replica field theory. In terms of this replica perspective, the lost symmetry is that of relative translations of the replicas; common translations remain as intact symmetries, reflecting the statistical homogeneity of the amorphous solid state. What emerges is a picture of the Goldstone-type fluctuations of the amorphous solid state as shear deformations of an elastic medium, along with a derivation of the shear modulus and the elastic free energy of the state. The consequences of these fluctuations -- which dominate deep inside the amorphous solid state -- for the order parameter of the amorphous solid state are ascertained and interpreted in terms of their impact on the statistical distribution of localization lengths, a central diagnostic of the the state. The correlations of these order parameter fluctuations are also determined, and are shown to contain information concerning further diagnostics of the amorphous solid state, such as spatial correlations in the statistics of the localization characteristics. Special attention is paid to the properties of the amorphous solid state in two spatial dimensions, for which it is shown that Goldstone-type fluctuations destroy particle localization, the order parameter is driven to zero, and power-law order-parameter correlations hold.Comment: 20 pages, 3 figure

Critical behaviour of the Rouse model for gelling polymers

It is shown that the traditionally accepted "Rouse values" for the critical exponents at the gelation transition do not arise from the Rouse model for gelling polymers. The true critical behaviour of the Rouse model for gelling polymers is obtained from spectral properties of the connectivity matrix of the fractal clusters that are formed by the molecules. The required spectral properties are related to the return probability of a "blind ant"-random walk on the critical percolating cluster. The resulting scaling relations express the critical exponents of the shear-stress-relaxation function, and hence those of the shear viscosity and of the first normal stress coefficient, in terms of the spectral dimension $d_{s}$ of the critical percolating cluster and the exponents $\sigma$ and $\tau$ of the cluster-size distribution.Comment: 9 pages, slightly extended version, to appear in J. Phys.

Shear viscosity of a crosslinked polymer melt

We investigate the static shear viscosity on the sol side of the vulcanization transition within a minimal mesoscopic model for the Rouse-dynamics of a randomly crosslinked melt of phantom polymers. We derive an exact relation between the viscosity and the resistances measured in a corresponding random resistor network. This enables us to calculate the viscosity exactly for an ensemble of crosslinks without correlations. The viscosity diverges logarithmically as the critical point is approached. For a more realistic ensemble of crosslinks amenable to the scaling description of percolation, we prove the scaling relation $k=\phi-\beta$ between the critical exponent $k$ of the viscosity, the thermal exponent $\beta$ associated with the gel fraction and the crossover exponent $\phi$ of a random resistor network.Comment: 8 pages, uses Europhysics Letters style; Revisions: results extende

The distance between Inherent Structures and the influence of saddles on approaching the mode coupling transition in a simple glass former

We analyze through molecular dynamics simulations of a Lennard-Jones binary mixture the statistics of the distances between inherent structures (IS) sampled at temperatures above the mode coupling transition temperature T_MCT. We take equilibrated configurations and randomly perturb the coordinates of a given number of particles. After that we take the nearest IS of both the original configuration and the perturbed one and evaluate the distance between them. This distance presents an inflection point near T~1 with a strong decrease below this temperature and goes to a small but nonzero value on approaching T_MCT. In the low temperature region we study the statistics of events which give zero distance, i.e. dominated by minima, and find evidence that the number of saddles decreases exponentially near T_MCT. This implies that saddles continue to exist even for T<=T_MCT. As at T_MCT the extrapolated diffusivity goes to zero our results imply that there are saddles associated with nondiffusional events at T<T_MCT.Comment: 5 pages, 5 ps figure