| Literature DB >> 22502530 |
Vasile Iulian Clapa1, Tsampikos Kottos, Francis W Starr.
Abstract
We analyze the structure of instantaneous normal modes (INM) associated with the Hessian matrix of a liquid. Utilizing a scaling theory developed in the framework of Anderson localization studies, we unambiguously identify the crossover point in the INM spectrum between extended and localized modes. We establish a relation between the unstable, delocalized INMs and the liquid diffusion coefficient that appears valid over a large temperature range, covering both Arrhenius and non-Arrhenius regimes of temperature dependence. These results suggest a possible route to theoretically relate dynamics to thermodynamical properties of the liquid via the tomography of the INMs.Year: 2012 PMID: 22502530 DOI: 10.1063/1.3701564
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488