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We use a structure analysis technique that quantifies cluster geometries using machine learning to identify a bicapped square antiprism (BSAP) as the nearest-neighbor cluster involved in the glass transition in Pd82Si18, a prototype…
We present extensive X-ray Absorption Fine Structure (XAFS) measurements on La_{1-x}Ca_xMnO_3 as a function of B-field (to 11T) and Ca concentration, x (21-45%). These results reveal local structure changes (associated with polaron…
In this work, we use molecular dynamics simulations to study the enhancement of surface over bulk diffusion (surface enhanced diffusion) in (PbO)x(SiO2)1-x glasses. This work is motivated to better understand surface diffusion in glasses…
The atomistic mechanisms occurring during the processes of aging and rejuvenation in glassy materials involve very small structural rearrangements that are extremely difficult to capture experimentally. Here we use in-situ X-ray diffraction…
In this article, we present a universal relationship between the glass transition temperature $T_g$ and the local glass structure. The derivation of the simplest expression of this relationship and some comparisons with experimental $T_g$…
The nature of defects in amorphous materials, analogous to vacancies and dislocations in crystals, remains elusive. Here we explore their nature in a three-dimensional microscopic model glass-former which describes granular, colloidal,…
Glasses have liquid-like structure, but exhibit solid-like properties. A central question concerns the relation between the structure and mechanical properties of glasses, but structural changes remain difficult to resolve. We use a novel…
With the advent of powerful computer simulation techniques, it is time to move from the widely used knowledge-guided empirical methods to approaches driven by data science, mainly machine learning algorithms. We investigated the predictive…
In this paper we demonstrate that the weak temperature dependence of structure factor of supercooled liquids, a defining feature of the glass transition, is a consequence of the averaging of the scattering intensity either due to the use of…
We investigate mixing effects on the glass state of binary colloidal hard-sphere-like mixtures with large size asymmetry, at a constant volume fraction phi = 0.61. The structure, dynamics and viscoelastic response as a function of mixing…
We numerically study a mesoscopic system consisting of magnetic nanorings in the presence of thermal magnetization fluctuations. We find the formation of dipolar-field-mediated ``bonds" promoting the formation of annuli clusters, where the…
The magnetisation relaxations of three different types of geometrically frustrated magnetic systems have been studied with the same experimental procedures as previously used in spin glasses. The materials investigated are Y$_2$Mo$_2$O$_7$…
The atomic structure of the supercooled liquid has often been discussed as a key source of glass formation in metals. The presence of icosahedrally-coordinated clusters and their tendency to form networks have been identified as one…
Multiple distinct glass states occur in binary hard-sphere mixtures with constituents of very disparate sizes according to the mode-coupling theory of the glass transition (MCT), distinguished by considering whether small particles remain…
The dynamics of a dense binary mixture of soft dumbbells, each subject to an active propulsion force and thermal fluctuations, shows a sudden arrest, first to a translational then to a rotational glass, as one reduces temperature $T$ or the…
We report a detailed experimental study of the structure and dynamics of glassy states in hard spheres with short-range attraction. The system is a suspension of nearly-hard-sphere colloidal particles and non-adsorbing linear polymer which…
Structural, vibrational and thermal properties of densified sodium silicate (NS2) are investigated with classical molecular dynamics simulations of the glass and the liquid state. A systematic investigation of the glass structure with…
We study the vibrational and electronic properties of (x)Na$_2$S-(1-x)GeS$_2$ glasses through DFT-based molecular dynamics simulations, at different sodium concentrations ($0<x<0.5$). We compute the vibrational density of states for the…
Ion-doped binary SiO2-CaO and ternary SiO2-CaO-P2O5 mesoporous bioactive glasses were synthesised and characterised to evaluate the influence of P2O5 in the glass network structure. Strontium, copper and cobalt oxides in a proportion of 0.8…
Rigidity Percolation is studied analytically on randomly bonded networks with two types of nodes, respectively with coordination numbers $z_1$ and $z_2$, and with $g_1$ and $g_2$ degrees of freedom each. For certain cases that model…