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

Molecules

Veniamin Grigorev¹  Alexander Razdolsky¹  Nadezhda Strakhova¹  Vladimir Kazachenko¹  Ludmila Grigoreva² 

[1] Department of Computer-Aided Molecular Design, Institute of Physiologically Active Compounds of the Russian Academy of Sciences, Severny proezd 1, 142432 Chernogolovka, Russia;Faculty of Fundamental Physical and Chemical Engineering, Lomonosov Moscow State University, Leninskiye Gory 1/51, 119991 Moscow, Russia;

关键词: diamond;    graphite;    Hurst exponent;    long memory;   

DOI  :  10.3390/molecules25225387

来源: DOAJ

【 摘 要 】

To study the relation between the structure of a compound and its properties is one of the fundamental trends in chemistry and materials science. A classic example is the well-known influence of the structures of diamond and graphite on their physicochemical properties, in particular, hardness. However, some other properties of these allotropic modifications of carbon, e.g., fractal properties, are poorly understood. In this work, the spatial series (interatomic distance histograms) calculated using the crystal structures of diamond and graphite are investigated. Hurst exponents H are estimated using detrended fluctuation analysis and power spectral density. The values of H are found to be 0.27–0.32 and 0.37–0.42 for diamond and graphite, respectively. The calculated data suggest that the spatial series have long memory with a negative correlation between the terms of the series; that is, they are antipersistent.

【 授权许可】

Unknown