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An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
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Microscopic Dynamics of Supercooled Liquids from First Principles
Liesbeth M C Janssen1, David R Reichman1
1Department of Chemistry, Columbia University, 3000 Broadway, New York, New York 10027, USA.
Physical Review Letters
|November 28, 2015
Summary
Researchers developed a new first-principles theory for supercooled liquids. This framework accurately predicts the dynamics of glass-forming systems, offering insights into the structure-dynamics relationship.
Area of Science:
- Condensed matter physics
- Materials science
Background:
- The liquid-to-glass transition is a poorly understood phenomenon.
- Existing theories lack quantitative accuracy for supercooled liquid dynamics.
Purpose of the Study:
- To present a novel theoretical framework for describing glassy dynamics.
- To achieve near-quantitative accuracy in predicting time-dependent correlation functions.
Main Methods:
- Developed a first-principles theoretical framework.
- Utilized static structural information as input.
- Focused on ab initio calculations.
Main Results:
- The framework yields near-quantitative accuracy for correlation functions.
- Demonstrated accuracy over a broad density range for glass-forming systems.
- Established a platform for studying structure-dynamics relationships.
Conclusions:
- The new framework provides a powerful tool for understanding glassy dynamics.
- It paves the way for a systematically correctable, quantitative theory of microscopic glassy dynamics.
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