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Memory Effect in the Spatial Series Based on Diamond and Graphite Crystals.

Ludmila Grigoreva1, Alexander Razdolsky2, Vladimir Kazachenko2

  • 1Faculty of Fundamental Physical and Chemical Engineering, Lomonosov Moscow State University, Leninskiye Gory 1/51, 119991 Moscow, Russia.

Molecules (Basel, Switzerland)
|November 21, 2020
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This study reveals fractal properties of diamond and graphite using Hurst exponents. Diamond and graphite exhibit antipersistent spatial series, indicating a negative correlation in their atomic structures.

Keywords:
Hurst exponentdiamondgraphitelong memory

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Area of Science:

  • Materials Science
  • Chemistry
  • Condensed Matter Physics

Background:

  • The relationship between a compound's structure and its properties is fundamental.
  • While the influence of diamond and graphite structures on hardness is known, their fractal properties remain less understood.
  • Investigating fractal properties offers new insights into allotropic carbon modifications.

Purpose of the Study:

  • To analyze the fractal properties of diamond and graphite crystal structures.
  • To quantify the antipersistence and long-memory characteristics of their spatial series.
  • To establish a link between atomic structure and fractal behavior in carbon allotropes.

Main Methods:

  • Calculation of spatial series (interatomic distance histograms) from crystal structures.
  • Estimation of Hurst exponents (H) using detrended fluctuation analysis (DFA).
  • Power spectral density (PSD) analysis to further characterize the series.

Main Results:

  • Hurst exponents for diamond were found to be in the range of 0.27-0.32.
  • Hurst exponents for graphite were found to be in the range of 0.37-0.42.
  • Both diamond and graphite spatial series exhibit antipersistence (H < 0.5), indicating long memory with negative correlation.

Conclusions:

  • The spatial series of diamond and graphite are antipersistent, suggesting a negative correlation between successive terms.
  • These findings highlight the complex fractal nature of carbon allotropes beyond their well-known mechanical properties.
  • The study provides a quantitative method for assessing fractal characteristics in crystalline materials.