Glassy clusters: Relations between their dynamics and characteristic features of their energy landscape
Abstract
Based on a recently introduced metric for measuring distances between configurations, we in- troduce distance-energy (DE) plots to characterize the potential energy surface (PES) of clusters. Producing such plots is computationally feasible on the density functional (DFT) level since it re- quires only a set of a few hundred stable low energy configurations including the global minimum. By comparison with standard criteria based on disconnectivity graphs and on the dynamics of Lennard- Jones clusters we show that the DE plots convey the necessary information about the character of the potential energy surface and allow to distinguish between glassy and non-glassy systems. We then apply this analysis to real systems on the DFT level and show that both glassy and non-glassy clusters can be found in simulations. It however turns out that among our investigated clusters only those can be synthesized experimentally which exhibit a non-glassy landscape.
Keywords
Cite
@article{arxiv.1311.4471,
title = {Glassy clusters: Relations between their dynamics and characteristic features of their energy landscape},
author = {Sandip De and Bastian Schaefer and Ali Sadeghi and Michael Sicher and D. G. Kanhere and Stefan Goedecker},
journal= {arXiv preprint arXiv:1311.4471},
year = {2013}
}