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Mathematical energy minimization model for joining boron nitride fullerene with several BN nanostructures

Nanoscale materials have gained considerable interest because of their special properties and wide range of applications. Many types of boron nitride at the nanoscale have been realized, including nanotubes, nanocones, fullerenes, tori, and graphene sheets. The connection of these structures at the...

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Autor principal: Alshammari, Nawa A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8354904/
https://www.ncbi.nlm.nih.gov/pubmed/34378059
http://dx.doi.org/10.1007/s00894-021-04855-5
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author Alshammari, Nawa A.
author_facet Alshammari, Nawa A.
author_sort Alshammari, Nawa A.
collection PubMed
description Nanoscale materials have gained considerable interest because of their special properties and wide range of applications. Many types of boron nitride at the nanoscale have been realized, including nanotubes, nanocones, fullerenes, tori, and graphene sheets. The connection of these structures at the nanoscale leads to merged structures that have enhanced features and applications. Modeling the joining between nanostructures has been adopted by different methods. Namely, carbon nanostructures have been joined by minimizing the elastic energy in symmetric configurations. In other words, the only considerable curvature in the elastic energy is the axial curvature. Accordingly, because it has nanoscale structures similar to those in carbon, BN can also be joined and connected by using this method. On the other hand, different methods have been proposed to consider the rotational curvature because it has a similar size. Based on that argument, the Willmore energy, which depends on both curvatures, has been minimized to join carbon nanostructures. This energy is used to identify the joining region, especially for a three-dimensional structure. In this paper, we expand the use of Willmore energy to cover the joining of boron nitride nanostructures. Therefore, because catenoids are absolute minimizers of this energy, pieces of catenoids can be used to connect nanostructures. In particular, we joined boron nitride fullerene to three other BN nanostructures: nanotube, fullerene, and torus. For now, there are no experimental or simulation data for comparison with the theoretical connecting structures predicted by this study, which is some justification for the suggested simple model shown in this research. Ultimately, various nanoscale BN structures might be connected by considering the same method, which may be considered in future work.
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spelling pubmed-83549042021-08-25 Mathematical energy minimization model for joining boron nitride fullerene with several BN nanostructures Alshammari, Nawa A. J Mol Model Original Paper Nanoscale materials have gained considerable interest because of their special properties and wide range of applications. Many types of boron nitride at the nanoscale have been realized, including nanotubes, nanocones, fullerenes, tori, and graphene sheets. The connection of these structures at the nanoscale leads to merged structures that have enhanced features and applications. Modeling the joining between nanostructures has been adopted by different methods. Namely, carbon nanostructures have been joined by minimizing the elastic energy in symmetric configurations. In other words, the only considerable curvature in the elastic energy is the axial curvature. Accordingly, because it has nanoscale structures similar to those in carbon, BN can also be joined and connected by using this method. On the other hand, different methods have been proposed to consider the rotational curvature because it has a similar size. Based on that argument, the Willmore energy, which depends on both curvatures, has been minimized to join carbon nanostructures. This energy is used to identify the joining region, especially for a three-dimensional structure. In this paper, we expand the use of Willmore energy to cover the joining of boron nitride nanostructures. Therefore, because catenoids are absolute minimizers of this energy, pieces of catenoids can be used to connect nanostructures. In particular, we joined boron nitride fullerene to three other BN nanostructures: nanotube, fullerene, and torus. For now, there are no experimental or simulation data for comparison with the theoretical connecting structures predicted by this study, which is some justification for the suggested simple model shown in this research. Ultimately, various nanoscale BN structures might be connected by considering the same method, which may be considered in future work. Springer Berlin Heidelberg 2021-08-11 2021 /pmc/articles/PMC8354904/ /pubmed/34378059 http://dx.doi.org/10.1007/s00894-021-04855-5 Text en © The Author(s) 2021 https://creativecommons.org/licenses/by/4.0/Open AccessThis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Original Paper
Alshammari, Nawa A.
Mathematical energy minimization model for joining boron nitride fullerene with several BN nanostructures
title Mathematical energy minimization model for joining boron nitride fullerene with several BN nanostructures
title_full Mathematical energy minimization model for joining boron nitride fullerene with several BN nanostructures
title_fullStr Mathematical energy minimization model for joining boron nitride fullerene with several BN nanostructures
title_full_unstemmed Mathematical energy minimization model for joining boron nitride fullerene with several BN nanostructures
title_short Mathematical energy minimization model for joining boron nitride fullerene with several BN nanostructures
title_sort mathematical energy minimization model for joining boron nitride fullerene with several bn nanostructures
topic Original Paper
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8354904/
https://www.ncbi.nlm.nih.gov/pubmed/34378059
http://dx.doi.org/10.1007/s00894-021-04855-5
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