The pronounced increases in isothermal compressibility, isobaric heat capacity, and the magnitude of thermal expansion coefficient liquid water upon supercooling have been interpreted either terms a continuous, retracing spinodal curve bounding superheated, stretched, supercooled states water, or metastable, low-temperature critical point. Common to these two scenarios is existence singularities associated with diverging density fluctuations at low temperature. We show that increase...

The glass transition, whereby liquids transform into amorphous solids at low temperatures, is a subject of intense research despite decades investigation. Explaining the enormous increase in relaxation times liquid upon supercooling essential for understanding transition. Although many theories, such as Adam-Gibbs theory, have sought to relate growing length scales associated with spatial correlations structure or motion molecules, role glassy dynamics not well established. Recent studies...

Many forms of memory can be stored in the materials around us. Examples are hysteresis magnets, aging and rejuvenation glasses, shape alloys, echoes spin systems capillary waves. Once material is fully equilibrated, system's initial conditions or previous history completely lost. Memory thus intimately connected to out-of-equilibrium behavior. This paper reviews examples where specific inputs condensed-matter then retrieved by appropriate protocols. It describes some common principles...

Amorphous solids are ubiquitous among natural and man-made materials. Often used as structural materials for their attractive mechanical properties, utility depends critically on response to applied stresses. Processes underlying such response, in particular the yielding behaviour of amorphous solids, not satisfactorily understood. Although studied extensively[1-14], observed can be gradual depend significantly conditions study, making it difficult convincingly validate existing theoretical...

An equilibrated model glass-forming liquid is studied by mapping successive configurations produced molecular dynamics simulation onto a time series of inherent structures (local minima in the potential energy). Using this ``inherent dynamics'' approach we find direct numerical evidence for long held view that below crossover temperature, $T_x$, liquid's can be separated into (i) vibrations around and (ii) transitions between (M. Goldstein, J. Chem. Phys. {\bf 51}, 3728 (1969)), i.e., become...

We examine the local geometry of a simulated glass-forming polymer melt. Using Voronoi construction, we find that distributions volume P(v(V)) and asphericity P(a) appear to be universal properties dense liquids, supporting use packing approaches understand liquid properties. also calculate average free <v(f)> along path constant density extrapolates zero at same temperature T0 extrapolated relaxation time diverges. relate Debye-Waller factor, which is measurable by neutron scattering.

We numerically produce fully amorphous assemblies of frictionless spheres in three dimensions and study the jamming transition these packings undergo at large volume fractions. specify four protocols yielding a critical value for fraction which is sharply defined limit system size, but different each protocol. Thus, we directly establish existence continuous range where nonequilibrium transitions occur. However, share same behaviour. Our results suggest that, even absence partial crystalline...

Using molecular dynamics simulations, we investigate the relation between dynamic transitions of biomolecules (lysozyme and DNA) thermodynamic properties hydration water. We find that transition macromolecules, sometimes called a ``protein glass transition,'' occurs at temperature crossover in diffusivity water also coincides with maxima isobaric specific heat ${C}_{P}$ derivative orientational order parameter. relate these findings to hypothesis liquid-liquid critical point Our simulations...

We carefully examine common measures of dynamical heterogeneity for a model polymer melt and test how these scales compare with those hypothesized by the Adam Gibbs (AG) random first-order transition (RFOT) theories relaxation in glass-forming liquids. To this end, we first analyze clusters highly mobile particles, string-like collective motion relative low mobility. show that time scale high-mobility strings is associated diffusive scale, while low-mobility particles' relates to structural...

We report computer simulations of oscillatory athermal quasi-static shear deformation dense amorphous samples a three dimensional model glass former. A dynamical transition is observed as the amplitude varied: for large values system exhibits diffusive behavior and loss memory initial conditions, whereas localization small amplitudes. Our results suggest that same kind found in driven colloidal systems present case solids (e.g. metallic glasses). The onset shown to be related energy...

The question of whether the dramatic slowing down dynamics glass-forming liquids near structural glass transition is caused by growth one or more correlation lengths has received much attention in recent years. Several proposals have been made for both static and dynamic length scales that may be responsible timescales as approached. These are critically examined with emphasis on scale associated spatial heterogeneity local point-to-set mosaic random first-order theory equilibrium...

The breakdown of the Stokes-Einstein (SE) relation between diffusivity and viscosity at low temperatures is considered to be one hallmarks glassy dynamics in liquids. Theoretical analyses relate this with presence heterogeneous dynamics, by extension, fragility glass formers. We perform an investigation SE 2, 3 4 dimensions, order understand these interrelations. Results from simulations model formers show that degree decreases increasing spatial dimensionality. itself can rationalized via...

We show that memory can be encoded in a model amorphous solid subjected to athermal oscillatory shear deformations, and an analogous spin with disordered interactions, sharing the feature of deformable energy landscape. When these systems are deformation, they retain deformation amplitude imposed training phase, when is below "localization" threshold. Remarkably, multiple persistent memories stored using such athermal, noise-free, protocol. The possibility shown linked presence plastic...

Collective behaviour in dense assemblies of self-propelled active particles occurs a wide range biological phenomena, including the dynamical transitions cellular and subcellular such as cytoskeleton cell nucleus. Here, motivated by observations mechanically induced changes dynamics systems apparent role confinement geometry, we show that fluidization transition broadly resembles yielding amorphous solids, which is consistent with recent suggestions. More specifically, however, find detailed...

The liquid-gas spinodal and the glass transition define ultimate boundaries beyond which substances cannot exist as (stable or metastable) liquids. relation between these limits is analyzed via computer simulations of a model liquid. results obtained indicate that lines intersect at finite temperature, implying glass-gas mechanical instability locus low temperatures. by thermodynamic dynamic criteria agree very well with each other.

We show that the simplest model fluids in two and three dimensions, namely, hard-disk hard-sphere fluids, exhibit a structural precursor to freezing transition, which manifests itself as shoulder second peak of radial distribution function. This feature is not present function low-density fluid. Close examination two-dimensional fluid configurations vicinity transition reveals corresponds formation distinct motif, identifiable four-particle hexagonally close-packed arrangement. As dense...

A simple model of an associating fluid is proposed that accounts for the fact hydrogen bonds are highly directional and favor formation locally open structures. The resulting analytical equation state reproduces distinguishing thermodynamic features liquid water. In contrast to previous models in which relationship between bonding bulk density assumed a priori, extent derived present work from microscopic model. Furthermore, by altering parameters control geometric constraints on bonding,...

Packings of spheres serve as useful models the geometry many physical systems; in particular, description void region such packings (the not occupied by spheres) is crucial studies. The is, general, composed disconnected cavities. We present an algorithm for decomposing space into cavities and determining exact volumes surface areas three-dimensional monodisperse polydisperse spheres.