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

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. Howe...

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Autores principales: Grigoreva, Ludmila, Razdolsky, Alexander, Kazachenko, Vladimir, Strakhova, Nadezhda, Grigorev, Veniamin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7698598/
https://www.ncbi.nlm.nih.gov/pubmed/33217929
http://dx.doi.org/10.3390/molecules25225387
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author Grigoreva, Ludmila
Razdolsky, Alexander
Kazachenko, Vladimir
Strakhova, Nadezhda
Grigorev, Veniamin
author_facet Grigoreva, Ludmila
Razdolsky, Alexander
Kazachenko, Vladimir
Strakhova, Nadezhda
Grigorev, Veniamin
author_sort Grigoreva, Ludmila
collection PubMed
description 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.
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spelling pubmed-76985982020-11-29 Memory Effect in the Spatial Series Based on Diamond and Graphite Crystals Grigoreva, Ludmila Razdolsky, Alexander Kazachenko, Vladimir Strakhova, Nadezhda Grigorev, Veniamin Molecules Article 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. MDPI 2020-11-18 /pmc/articles/PMC7698598/ /pubmed/33217929 http://dx.doi.org/10.3390/molecules25225387 Text en © 2020 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Grigoreva, Ludmila
Razdolsky, Alexander
Kazachenko, Vladimir
Strakhova, Nadezhda
Grigorev, Veniamin
Memory Effect in the Spatial Series Based on Diamond and Graphite Crystals
title Memory Effect in the Spatial Series Based on Diamond and Graphite Crystals
title_full Memory Effect in the Spatial Series Based on Diamond and Graphite Crystals
title_fullStr Memory Effect in the Spatial Series Based on Diamond and Graphite Crystals
title_full_unstemmed Memory Effect in the Spatial Series Based on Diamond and Graphite Crystals
title_short Memory Effect in the Spatial Series Based on Diamond and Graphite Crystals
title_sort memory effect in the spatial series based on diamond and graphite crystals
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7698598/
https://www.ncbi.nlm.nih.gov/pubmed/33217929
http://dx.doi.org/10.3390/molecules25225387
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