# Super-Arrhenius behaviour of molecular glass formers

## TL;DR

This paper develops a theory to estimate energy barriers for structural relaxation in molecular glass formers using static pair correlation data, linking barrier height to bonding and supercooling effects.

## Contribution

It introduces a novel method to calculate potential energy barriers from static pair correlation functions, connecting microscopic bonding to macroscopic relaxation behavior.

## Key findings

- Barrier height increases with more stable bonds and deeper supercooling.
- Calculated relaxation times agree with experimental and simulation data.
- The theory applies to hard-sphere systems and potentially other molecular glass formers.

## Abstract

A theory is developed to calculate values of the potential energy barriers to structural relaxation in molecular glass formers from the data of static pair correlation function. The barrier height is shown to increase due to increase in number of the stable bonds a particle forms with its neighbours and energy of each bond as liquids move deeper into the supercooled (super-compressed) region. We present results for a system of hard-spheres and compare calculated values of the structural relaxation time with experimental and simulation results.