Microscopic dynamics of supercooled liquids from first principles

TL;DR

This paper introduces a first-principles theoretical framework that accurately predicts the microscopic dynamics of supercooled liquids and glasses using only static structural data, advancing understanding of the liquid-glass transition.

Contribution

The authors develop a novel, first-principles approach that provides near-quantitative predictions of supercooled liquid dynamics from static structure alone, filling a major gap in glass physics.

Findings

Achieves accurate time-dependent correlation functions over broad density ranges

Requires only static structural information as input

Offers a platform for systematic improvements in glassy dynamics modeling

Abstract

Glasses are solid materials whose constituent atoms are arranged in a disordered manner. The transition from a liquid to a glass remains one of the most poorly understood phenomena in condensed matter physics, and still no fully microscopic theory exists that can describe the dynamics of supercooled liquids in a quantitative manner over all relevant time scales. Here we present such a theoretical framework that yields near-quantitative accuracy for the time-dependent correlation functions of a supercooled system over a broad density range. Our approach requires only simple static structural information as input and is based entirely based on first principles. Owing to this first-principles nature, the framework offers a unique platform to study the relation between structure and dynamics in glass-forming matter, and paves the way towards a systematically correctable and ultimately fully quantitative theory of microscopic glassy dynamics.