Elasticity and metastability limit in supercooled liquids: a lattice model

We present Monte Carlo simulations on a lattice system that displays a first order phase transition between a disordered phase (liquid) and an ordered phase (crystal). The model is augmented by an interaction that simulates the effect of elasticity in continuum models. The temperature range of stability of the liquid phase is strongly increased in the presence of the elastic interaction. We discuss the consequences of this result for the existence of a kinetic spinodal in real systems.Comment: 8 pages, 5 figure

Replica symmetry breaking in long-range glass models without quenched disorder

We discuss mean field theory of glasses without quenched disorder focusing on the justification of the replica approach to thermodynamics. We emphasize the assumptions implicit in this method and discuss how they can be verified. The formalism is applied to the long range Ising model with orthogonal coupling matrix. We find the one step replica-symmetry breaking solution and show that it is stable in the intermediate temperature range that includes the glass state but excludes very low temperatures. At very low temperatures this solution becomes unstable and this approach fails.Comment: 6 pages, 2 figure

Frequency-domain study of relaxation in a spin glass model for the structural glass transition

We have computed the time-dependent susceptibility for the finite-size mean-field Random Orthogonal model (ROM). We find that for temperatures above the mode-coupling temperature the imaginary part of the susceptibility $\chi''(\nu)$ obeys the scaling forms proposed for glass-forming liquids. Furthermore, as the temperature is lowered the peak frequency of $\chi''$ decreases following a Vogel-Fulcher law with a critical temperature remarkably close to the known critical temperature $T_c$ where the configurational entropy vanishes.Comment: 7 pages, 4 figures, epl LaTeX packag

Fermion kinetics in the Falicov-Kimball limit of the three-band Emery model

The three-band Emery model is reduced to a single-particle quantum model of Falicov-Kimball type, by allowing only up-spins to hop, and forbidding double occupation by projection. It is used to study the effects of geometric obstruction on mobile fermions in thermodynamic equilibrium. For low hopping overlap, there appears a plateau in the entropy, due to charge correlations, and related to real-space disorder. For large overlap, the equilibrium thermopower susceptibility remains anomalous, with a sign opposite to the one predicted from the single-particle density of states. The heat capacity and non-Fermi liquid response are discussed in the context of similar results in the literature. All results are obtained by evaluation of an effective single-particle free-energy operator in closed form. The method to obtain this operator is described in detail.Comment: New calculations, method explained in detail, 16 pages, 9 figure

Solvent-induced micelle formation in a hydrophobic interaction model

We investigate the aggregation of amphiphilic molecules by adapting the two-state Muller-Lee-Graziano model for water, in which a solvent-induced hydrophobic interaction is included implicitly. We study the formation of various types of micelle as a function of the distribution of hydrophobic regions at the molecular surface. Successive substitution of non-polar surfaces by polar ones demonstrates the influence of hydrophobicity on the upper and lower critical solution temperatures. Aggregates of lipid molecules, described by a refinement of the model in which a hydrophobic tail of variable length interacts with different numbers of water molecules, are stabilized as the length of the tail increases. We demonstrate that the essential features of micelle formation are primarily solvent-induced, and are explained within a model which focuses only on the alteration of water structure in the vicinity of the hydrophobic surface regions of amphiphiles in solution.Comment: 11 pages, 10 figures; some rearrangement of introduction and discussion sections, streamlining of formalism and general compression; to appear in Phys. Rev.

Hydrophobic interactions: an overview

We present an overview of the recent progress that has been made in understanding the origin of hydrophobic interactions. We discuss the different character of the solvation behavior of apolar solutes at small and large length scales. We emphasize that the crossover in the solvation behavior arises from a collective effect, which means that implicit solvent models should be used with care. We then discuss a recently developed explicit solvent model, in which the solvent is not described at the atomic level, but rather at the level of a density field. The model is based upon a lattice-gas model, which describes density fluctuations in the solvent at large length scales, and a Gaussian model, which describes density fluctuations at smaller length scales. By integrating out the small length scale field, a Hamiltonian is obtained, which is a function of the binary, large-length scale field only. This makes it possible to simulate much larger systems than hitherto possible as demonstrated by the application of the model to the collapse of an ideal hydrophobic polymer. The results show that the collapse is dominated by the dynamics of the solvent, in particular the formation of a vapor bubble of critical size. Implications of these findings to the understanding of pressure denaturation of proteins are discussed.Comment: 10 pages, 4 figure

Geometry and symmetry presculpt the free-energy landscape of proteins

We present a simple physical model which demonstrates that the native state folds of proteins can emerge on the basis of considerations of geometry and symmetry. We show that the inherent anisotropy of a chain molecule, the geometrical and energetic constraints placed by the hydrogen bonds and sterics, and hydrophobicity are sufficient to yield a free energy landscape with broad minima even for a homopolymer. These minima correspond to marginally compact structures comprising the menu of folds that proteins choose from to house their native-states in. Our results provide a general framework for understanding the common characteristics of globular proteins.Comment: 23 pages, 5 figure

A teaching guide of nuclear physics: the concept of bonds

We propose discussions and hands-on activities for GCSE and A-level students, covering a fundamental aspect of nuclear physics: the concept of bond and the energy released (absorbed) when a bond is created (broken). This is the first of the series of papers named "A teaching guide of nuclear physics", whose main goal is to provide teaching tools and ideas to GCSE and A-level teachers, within a consistent and complete curriculum

Configurational Entropy and its Crisis in Metastable States: Ideal Glass Transition in a Dimer Model as a Paragidm of a Molecular Glass

We discuss the need for discretization to evaluate the configurational entropy in a general model. We also discuss the prescription using restricted partition function formalism to study the stationary limit of metastable states. We introduce a lattice model of dimers as a paradigm of molecular fluid and study metastability in it to investigate the root cause of glassy behavior. We demonstrate the existence of the entropy crisis in metastable states, from which it follows that the entropy crisis is the root cause underlying the ideal glass transition in systems with particles of all sizes. The orientational interactions in the model control the nature of the liquid-liquid transition observed in recent years in molecular glasses.Comment: 36 pages, 9 figure

Mean field theory of hard sphere glasses and jamming

Hard spheres are ubiquitous in condensed matter: they have been used as models for liquids, crystals, colloidal systems, granular systems, and powders. Packings of hard spheres are of even wider interest, as they are related to important problems in information theory, such as digitalization of signals, error correcting codes, and optimization problems. In three dimensions the densest packing of identical hard spheres has been proven to be the FCC lattice, and it is conjectured that the closest packing is ordered (a regular lattice, e.g, a crystal) in low enough dimension. Still, amorphous packings have attracted a lot of interest, because for polydisperse colloids and granular materials the crystalline state is not obtained in experiments for kinetic reasons. We review here a theory of amorphous packings, and more generally glassy states, of hard spheres that is based on the replica method: this theory gives predictions on the structure and thermodynamics of these states. In dimensions between two and six these predictions can be successfully compared with numerical simulations. We will also discuss the limit of large dimension where an exact solution is possible. Some of the results we present here have been already published, but others are original: in particular we improved the discussion of the large dimension limit and we obtained new results on the correlation function and the contact force distribution in three dimensions. We also try here to clarify the main assumptions that are beyond our theory and in particular the relation between our static computation and the dynamical procedures used to construct amorphous packings.Comment: 59 pages, 25 figures. Final version published on Rev.Mod.Phy