Role of structural fluctuations in the insertion into complex host matrices
E. V. Vakarin, J. P. Badiali

TL;DR
This paper explores how structural and thermodynamic fluctuations influence insertion processes in complex matrices, demonstrating that their coupling can recover hidden information and improve predictive capabilities with limited data.
Contribution
It introduces a novel approach combining Gibbsian statistics and information theory to analyze the coupling of fluctuations in insertion processes.
Findings
Coupling of fluctuations allows partial recovery of inaccessible information.
The method enables more accurate predictions with limited experimental data.
Provides a new framework for understanding insertion in complex matrices.
Abstract
A coupling of structural and thermodynamic fluctuations in the course of various-type insertion processes is investigated within a combination of Gibbsian statistics and the information theory approach. It is shown that the coupling makes it possible to restore (at least partially) the information, inaccessible from experimental tests. This enables one to make physically reasonable predictions under limited information on the system.
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Taxonomy
TopicsTheoretical and Computational Physics · Advanced Thermodynamics and Statistical Mechanics · Advanced Physical and Chemical Molecular Interactions
