Related papers: Connection between vibrational dynamics and topolo…
The low-temperature thermal properties of glasses are anomalous with respect to those of crystals. These thermal anomalies indicate that the low-frequency vibrational properties of glasses differ from those of crystals. Recent studies…
We use a local projectional analysis method to investigate the effect of topological disorder on the vibrational dynamics in a model glass simulated by molecular dynamics. Evidence is presented that the vibrational eigenmodes in the glass…
We report a molecular dynamics (MD) study of the collective dynamics of a simple monatomic liquid -interacting through a two body potential that mimics that of lithium- across the liquid-glass transition. In the glassy phase we find…
We numerically investigate the aging dynamics of a monatomic Lennard-Jones glass, focusing on the topology of the potential energy landscape which, to this aim, has been partitioned in basins of attraction of stationary points (saddles and…
In glasses, atomic disorder combined with atomic connectivity makes understanding of the nature of the vibrations much more complex than in crystals or molecules. With a simple model, however, it is possible to show how disorder generates…
A simple model to investigate the long time dynamics of glass-formers is presented and applied to study a Lennard-Jones system in supercooled and glassy phases. According to our model, the point representing the system in the…
Numerical simulation is employed to study dynamical heterogeneities in model harmonic glasses whose atoms interact via three variants of the Lennard-Jones potential (monoatomic full Lennard-Jones, soft spheres, binary mixture).…
The structural description for the intriguing link between the fast vibrational dynamics and slow diffusive dynamics in glass-forming systems is one of the most challenging issues in physical science. Here, in a model of metallic…
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…
We present a numerical evaluation of the three-point static correlations functions of the Kob-Andersen Lennard-Jones binary mixture and of its purely repulsive, Weeks-Chandler-Andersen variant. In the glassy regime, the two models possess a…
A link between structural ordering and slow dynamics has recently attracted much attention from the context of the origin of glassy slow dynamics. Candidates for such structural order are icosahedral, exotic amorphous, and crystal-like.…
We introduce a new and robust approach for characterizing spatially and temporally heterogeneous behavior within a system based on the evolution of dynamic fuctuations once averaged over different space lengths and time scales. We apply it…
The plastic deformation of crystalline materials can be understood by considering their structural defects such as disclinations and dislocations. Although glasses are also solids, their structure resembles closely the one of a liquid and…
We study the relation between short-time vibrational modes and long-time relaxational dynamics in a kinetically constrained lattice gas with harmonic interactions between neighbouring particles. We find a correlation between the location of…
The vibrational properties of two-dimensional phononic crystals are studied with large-scale molecular dynamics simulations and finite element method calculation. The vibrational band structure derived from the molecular dynamics…
Recent studies point out far-reaching connections between the topological characteristics of structural glasses and their material properties, paralleling results in quantum physics that highlight the relevance of the nature of the…
We study heterogeneities in a binary Lennard-Jones system below the glass transition using molecular dynamics simulations. We identify mobile and immobile particles and measure their distribution of vibrational amplitudes. For temperatures…
The presence of dynamical heterogeneities, i.e. nanometer-scale regions containing molecules rearranging cooperatively at very different rates compared to the bulk, is increasingly being recognized as crucial in our understanding of the…
Lennard-Jones glasses (made on a computer by quenching from liquid state coordinates) are studied in harmonic approximation. Vibrational eigenfrequencies and eigenvectors are found by exact diagonalization for models with periodic…
Low-frequency Raman and inelastic neutron scattering of amorphous bis-phenol A polycarbonate is measured at low temperature, and compared. The vibrational density of states and light-vibration coupling coefficient are determined. The…