Potential energy topology and relaxation processes in a model glass

TL;DR

This study uses computer simulations to analyze the potential energy landscape of a model glass, revealing correlations among double-well potential parameters and a quasi-one-dimensional system trajectory during relaxation.

Contribution

It uncovers correlations among DWP parameters and characterizes the system's trajectory as a quasi-1D manifold in the energy landscape.

Findings

DWP parameters are correlated with each other.

System trajectory follows a quasi-1D manifold.

Jumps between minima dominate the dynamics.

Abstract

We use computer simulation to investigate the topology of the potential energy $V(\{{\bf R}\})$ and to search for doublewell potential's (DWP) in a model glass . By a sequence of Newtonian and dissipative dynamics we find different minima of $V(\{{\bf R}\})$ and the energy profile along the least action paths joining them. At variance with previous suggestions, we find that the parameters describing the DWP's are correlated among each others. Moreover, the trajectory of the system in the 3$N$-d configurational phase space follows a quasi-1-d manifold. The motion parallel to the path is characterized by jumps between minima, and is nearly uncorrelated from the orthogonal, harmonic, dynamics.