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

Ludmila Grigoreva, Alexander Razdolsky, Vladimir Kazachenko, Nadezhda Strakhova, Veniamin Grigorev

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Article in Molecules (Basel, Switzerland), 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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5 authors.

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

Alexander RazdolskyDepartment of Computer-Aided Molecular Design, Institute of Physiologically Active Compounds of the Russian Academy of Sciences, Severny proezd 1, 142432 Chernogolovka, Russia.ORCID 0000-0002-3389-4659

Vladimir KazachenkoDepartment of Computer-Aided Molecular Design, Institute of Physiologically Active Compounds of the Russian Academy of Sciences, Severny proezd 1, 142432 Chernogolovka, Russia.

Nadezhda StrakhovaDepartment of Computer-Aided Molecular Design, Institute of Physiologically Active Compounds of the Russian Academy of Sciences, Severny proezd 1, 142432 Chernogolovka, Russia.

Veniamin GrigorevDepartment of Computer-Aided Molecular Design, Institute of Physiologically Active Compounds of the Russian Academy of Sciences, Severny proezd 1, 142432 Chernogolovka, Russia.ORCID 0000-0002-5288-3242

Funding

Institute of Physiologically Active Compounds, Russian Academy of Scinces state assignment 2020 no. 0090-2020-0004

6 · The paper itself

Abstract

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.

Indexed as

CrystallizationDiamondGraphiteModels, MolecularDiamondGraphitediamondgraphiteHurst exponentlong memory

Identifiers

PMID33217929

DOI10.3390/molecules25225387

PMCPMC7698598

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