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An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids

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Local energy landscape in a simple liquid.

T Iwashita¹, T Egami²

¹Joint Institute for Neutron Sciences and Department of Physics and Astronomy, University of Tennessee, Knoxville, Tennessee 37996, USA.

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics

|December 11, 2014

Summary

Researchers introduce a local energy landscape (LEL) to simplify understanding liquid and glass properties. This approach, based on local coordination, aids in visualizing complex structures and relaxation processes.

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Area of Science:

Condensed matter physics
Materials science
Computational chemistry

Background:

Relating liquid and glass properties to their complex structures is challenging.
The potential energy landscape (PEL) offers insights but is difficult to visualize due to its high dimensionality.
Understanding structure-property relationships is crucial for materials design.

Purpose of the Study:

To introduce a simplified model, the local energy landscape (LEL), for analyzing liquids and glasses.
To demonstrate the utility of the LEL using molecular dynamics simulations.
To provide a tractable approach for studying complex phenomena in condensed matter.

Main Methods:

Development of the local energy landscape (LEL) concept, defined by local coordination number.
Application of molecular dynamics simulations to a simple liquid at high temperatures.
Analysis of LEL excitations in relation to relaxation processes.

Main Results:

The LEL provides a simplified, visualized representation of energy landscapes in liquids.
LEL excitations were correlated with the observed β-relaxation process.
The LEL approach proved useful for studying simple liquids.

Conclusions:

The local energy landscape (LEL) offers a practical method to study structure-property relationships in liquids and glasses.
This simplified model aids in understanding complex phenomena like β-relaxation.
The LEL serves as a valuable starting point for further research in condensed matter.