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Updated: Nov 27, 2025

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Entropy Multiparticle Correlation Expansion for a Crystal.

Santi Prestipino1, Paolo V Giaquinta1

  • 1Dipartimento di Scienze Matematiche ed Informatiche, Scienze Fisiche e Scienze della Terra, Università degli Studi di Messina, Viale F. Stagno d'Alcontres 31, 98166 Messina, Italy.

Entropy (Basel, Switzerland)
|December 8, 2020
PubMed
Summary
This summary is machine-generated.

A new correlation expansion for crystalline entropy, analogous to classical fluids, is proposed. This expansion demonstrates that one- and two-body entropies are extensive quantities in crystalline systems.

Keywords:
entropy multiparticle correlation expansionone- and two-body density functionsone- and two-body entropy

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Area of Science:

  • Statistical Mechanics
  • Condensed Matter Physics
  • Thermodynamics

Background:

  • Classical fluids' entropy is decomposable into many-particle contributions based on spatial distribution functions.
  • H. S. Green (1952) established this decomposition for classical fluids.
  • Crystalline systems have distinct properties from classical fluids, necessitating a tailored entropy analysis.

Purpose of the Study:

  • To investigate if a similar correlation expansion for entropy applies to crystalline systems.
  • To analyze the scaling behavior of one- and two-body entropies in crystals.
  • To verify the extensivity of these entropies in crystalline structures.

Main Methods:

  • Revisiting the combinatorial derivation of entropy formulas.
  • Applying the correlation expansion concept to crystalline systems.
  • Performing numerical calculations to analyze entropy scaling.

Main Results:

  • A correlation expansion for crystalline entropy, mirroring classical fluids, is theoretically established.
  • One- and two-body entropies exhibit specific scaling behaviors with crystal size.
  • Numerical data supports the theoretical expectation that these entropies are extensive.

Conclusions:

  • The correlation expansion framework is applicable to crystalline entropy.
  • One- and two-body entropies in crystals are confirmed to be extensive quantities.
  • This work provides a new perspective on understanding entropy in ordered matter.