First-principles studies of the formation and dynamics of silicon interstitial-clusters suggest a possible growth mechanism of silicon interstitial-chains as seen in macroscopic 311 planar defects. The relative populations of the three lowest-energy silicon tri-interstitials equilibrate within a...

The dynamics of surface atoms and simple molecules is closely related to the growth of surface nanostructures. The questions we ask are how atoms diffuse and interact on the surface and what kind of surface nanostructures are formed from such interactions. We also study how the physical property...

We performed numerical simulations on a one-dimensional diatomic gas to investigate the possible long time scale in Hamiltonian systems with internal degrees of freedom. In the limit of the large system size, the time scale for energy sharing between the translational motion and the vibrational...

In this work, we assess the relevance of different range particle displacements and string motions to the metabasin (MB) dynamics of a simple glass former. We find that MB transitions are triggered by the occurrence of massive rearrangements termed as “democratic clusters” or d-clusters...