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How to quantify structural anomalies in fluids?

Yu D Fomin1, V N Ryzhov1, B A Klumov2

  • 1Institute for High Pressure Physics, Russian Academy of Sciences, Troitsk 142190, Moscow Region, Russia and Moscow Institute of Physics and Technology, 141700 Moscow, Russia.

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This summary is machine-generated.

This study compares methods for identifying anomalous fluid behavior, specifically structural anomaly under compression. Excess entropy provides the most reliable measure for determining this anomalous region.

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Area of Science:

  • Thermodynamics
  • Fluid Dynamics
  • Materials Science

Background:

  • Fluids can exhibit anomalous behavior, such as becoming less structured under isothermal compression.
  • Structural anomaly is a key characteristic, with various methods proposed to quantify it.
  • Previous research assumes different quantification methods yield similar results.

Purpose of the Study:

  • To compare existing methods for quantifying the structural anomaly in fluids.
  • To identify the most reliable method for determining the region of structural anomaly.
  • To challenge the assumption that all structural order determinations are qualitatively identical.

Main Methods:

  • Comparison of multiple definitions for quantifying structural order in fluids.
  • Analysis of fluid behavior under isothermal compression.
  • Evaluation of results against the intuitive understanding of fluid properties.

Main Results:

  • Some quantification methods yield results that contradict the basic properties of a fluid.
  • The study demonstrates that not all methods for determining structural order are in agreement.
  • The behavior of excess entropy is identified as a robust indicator.

Conclusions:

  • The region of structural anomaly is most reliably determined using excess entropy.
  • A critical comparison of quantification methods is essential for accurate fluid anomaly analysis.
  • This work provides a new perspective on understanding anomalous fluid behavior.