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

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Published on: December 4, 2017

Localization transition of instantaneous normal modes and liquid diffusion.

Vasile Iulian Clapa¹, Tsampikos Kottos, Francis W Starr

¹Department of Physics, Wesleyan University, Middletown, Connecticut 06459, USA.

The Journal of Chemical Physics

|April 17, 2012

Summary

We identified a link between liquid diffusion and instantaneous normal modes (INMs). This finding connects liquid dynamics to thermodynamics through INM analysis, applicable across temperature ranges.

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Area of Science:

Condensed matter physics
Physical chemistry
Computational physics

Background:

Understanding liquid dynamics is crucial for predicting material properties.
Instantaneous normal modes (INMs) offer insights into liquid structure and dynamics.
Anderson localization theory provides a framework for analyzing mode delocalization.

Purpose of the Study:

To analyze the structure of instantaneous normal modes (INMs) in liquids.
To identify the crossover between extended and localized modes in the INM spectrum.
To establish a relationship between INMs and liquid diffusion coefficients.

Main Methods:

Analysis of the Hessian matrix of a liquid.
Application of scaling theory from Anderson localization studies.
Identification of extended and localized modes in the INM spectrum.

Main Results:

Unambiguous identification of the crossover point in the INM spectrum.
Establishment of a relation between unstable, delocalized INMs and the liquid diffusion coefficient.
Validation of this relation across Arrhenius and non-Arrhenius temperature regimes.

Conclusions:

Unstable, delocalized INMs are key to understanding liquid diffusion.
A theoretical link between liquid dynamics and thermodynamics is proposed via INM tomography.
This approach offers a novel way to connect microscopic dynamics to macroscopic properties.