Related papers: Effect of Composition Changes on the Structural Re…
Explicit simulations of fluid mixtures of highly size-dispersed particles are constrained by numerical challenges associated with identifying pair-interaction neighbors. Recent algorithmic developments have ameliorated these difficulties to…
The dynamics of many glassy systems are known to exhibit string-like hopping motions each consisting of a line of particles displacing one and other. By using molecular dynamics simulations of glassy polymers, we show that these motions…
The dynamics of confined glassforming liquids is discussed on the basis of the recent extension of the mode coupling theory for the liquid-glass transition to the model of the quenched-annealed binary mixture. It is in particular shown…
Upon cooling, glass-forming liquids experience a two-step relaxation associated to the cage rattling and the escape from the cage, and the following decoupling between the \b{eta}- and the {\alpha}-relaxations. The found decoupling…
The structural arrest of a polymeric suspension might be driven by an increase of the cross--linker concentration, that drives the gel transition, as well as by an increase of the polymer density, that induces a glass transition. These…
Sizable glass formers feature numerous unique properties and potential applications, but many questions regarding their glass transition dynamics have not been resolved yet. Here we analyzed structural relaxation times measured as a…
Atomistic deformation simulations in the nominally elastic regime are performed for a model binary glass with strain rates as low as $10^{4}$/sec (corresponding to 0.01 shear strain per 1$\mu$sec). A robust elasticity is revealed that…
We examine a length scale that characterizes the spatial extent of heterogeneous dynamics in a glass-forming binary hard-sphere mixture up to the mode-coupling volume fraction phi_c. First, we characterize the system's dynamics. Then, we…
We investigate a binary Lennard-Jones mixture with molecular dynamics simulations. We consider first a system cooled linearly in time with the cooling rate gamma. By varying gamma over almost four decades we study the influence of the…
The structure, thermodynamics and slow activated dynamics of the equilibrated metastable regime of glass-forming fluids remains a poorly understood problem of high theoretical and experimental interest. We apply a highly accurate…
Generalizing the mode-coupling theory for ideal liquid-glass transitions, equations of motion are derived for the correlation functions describing the glassy dynamics of a diatomic probe molecule immersed in a simple glass-forming system.…
The glass transition is described in terms of thermally activated local structural rearrangements, the secondary relaxations of the glass phase. The interaction between these secondary relaxations leads to a much faster and much more…
Results on the dynamics of silica are presented: vibrations and relaxations. Using molecular dynamics, glass structures are generated by rapidly quenching melts below the glass transition. For the local minima of the structures the…
Many systems, including polymers and molecular liquids, when adequately cooled and/or compressed, solidify into a disordered solid, i.e., a glass. The~transition is not abrupt, featuring progressive decrease of the microscopic mobility and…
Using molecular dynamics simulations we investigate the finite-size dependence of the dynamical properties of a diatomic supercooled liquid. The simplicity of the molecule permits us to access the microsecond time scale. We find that the…
Identifying the conditions under which glass formation occurs is crucial for a fundamental understanding of the glass transition mechanism. Pure liquids devoid of any frustration avoid glass transition and undergo crystallization. In this…
By means of the isoconfigurational method we calculate the change in the propensity for motion that the structure of a glass-forming system experiences during its relaxation dynamics. The relaxation of such a system has been demonstrated to…
Glassy solids may undergo a fluidization (yielding) transition upon deformation whereby the material starts to flow plastically. It has been a matter of debate whether this process is controlled by a specific time scale, from among…
We show that in the equilibrium phase of glass-forming hard-sphere fluids in three dimensions, the static length scales tentatively associated with the dynamical slowdown and the dynamical length characterizing spatial heterogeneities in…
We report a molecular dynamics study of crystallization in highly asymmetric binary hard-sphere mixtures, in which the large spheres can form a crystal phase while the small ones remain disordered during the crystallization process of the…