Magnetostatic Dipolar Energy of Large Periodic Ni fcc Nanowires, Slabs and Spheres

Producción Científica

Detalhes bibliográficos
Autor: Cabria Álvaro, Iván
Formato: artículo
Estado:Versión enviada para evaluación y publicación
Fecha de publicación:2019
País:España
Recursos:Universidad de Valladolid
Repositorio:UVaDOC. Repositorio Documental de la Universidad de Valladolid
OAI Identifier:oai:uvadoc.uva.es:10324/36734
Acesso em linha:https://doi.org/10.1016/j.apsusc.2019.05.307
http://uvadoc.uva.es/handle/10324/36734
Access Level:acceso abierto
Palavra-chave:Nanomagnetism
Nanomagnetismo
Magnetostatic dipolar energy
Energía dipolar magnetostática
Ewald method
Método de Ewald
id ES_65712e108cd4ffe18d5acb27e4e91320
oai_identifier_str oai:uvadoc.uva.es:10324/36734
network_acronym_str ES
network_name_str España
repository_id_str
spelling Magnetostatic Dipolar Energy of Large Periodic Ni fcc Nanowires, Slabs and SpheresCabria Álvaro, IvánNanomagnetismNanomagnetismoMagnetostatic dipolar energyEnergía dipolar magnetostáticaEwald methodMétodo de EwaldProducción CientíficaThe computational effort to calculate the magnetostatic dipolar energy, MDE, of a periodic cell of N magnetic moments is an O(N2) task. Compared with the calculation of the Exchange and Zeeman energy terms, this is the most computationally expensive part of the atomistic simulations of the magnetic properties of large periodic magnetic systems. Two strategies to reduce the computational effort have been studied: An analysis of the traditional Ewald method to calculate the MDE of periodic systems and parallel calculations. The detailed analysis reveals that, for certain types of periodic systems, there are many matrix elements of the Ewald method identical to another elements, due to some symmetry properties of the periodic systems. Computation timing experiments of the MDE of large periodic Ni fcc nanowires, slabs and spheres, up to 32000 magnetic moments in the periodic cell, have been carried out and they show that the number of matrix elements that should be calculated is approximately equal to N, instead of N2/2, if these symmetries are used, and that the computation time decreases in an important amount. The time complexity of the analysis of the symmetries is O(N3), increasing the time complexity of the traditional Ewald method. MDE is a very small energy and therefore, the usual required precision of the calculation of the MDE is so high, about 10−6 eV/cell, that the calculations of large periodic magnetic systems are very expensive and the use of the symmetries reduces, in practical terms, the computation time of the MDE in a significant amount, in spite of the increase of the time complexity. The second strategy consists on parallel calculations of the MDE without using the symmetries of the periodic systems. The parallel calculations have been compared with serial calculations that use the symmetries.Ministerio de Economía, Industria y Competitividad ( grant MAT2014-54378-R)Junta de Castilla y León (grants VA050U14 and VA124G18)Elsevier2019info:eu-repo/semantics/articleinfo:eu-repo/semantics/submittedVersionapplication/pdfhttps://doi.org/10.1016/j.apsusc.2019.05.307http://uvadoc.uva.es/handle/10324/36734reponame:UVaDOC. Repositorio Documental de la Universidad de Valladolidinstname:Universidad de ValladolidIngléshttps://www.sciencedirect.com/science/article/pii/S0169433219316150?via%3Dihubinfo:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-nd/4.0/oai:uvadoc.uva.es:10324/367342026-06-13T12:44:47Z
dc.title.none.fl_str_mv Magnetostatic Dipolar Energy of Large Periodic Ni fcc Nanowires, Slabs and Spheres
title Magnetostatic Dipolar Energy of Large Periodic Ni fcc Nanowires, Slabs and Spheres
spellingShingle Magnetostatic Dipolar Energy of Large Periodic Ni fcc Nanowires, Slabs and Spheres
Cabria Álvaro, Iván
Nanomagnetism
Nanomagnetismo
Magnetostatic dipolar energy
Energía dipolar magnetostática
Ewald method
Método de Ewald
title_short Magnetostatic Dipolar Energy of Large Periodic Ni fcc Nanowires, Slabs and Spheres
title_full Magnetostatic Dipolar Energy of Large Periodic Ni fcc Nanowires, Slabs and Spheres
title_fullStr Magnetostatic Dipolar Energy of Large Periodic Ni fcc Nanowires, Slabs and Spheres
title_full_unstemmed Magnetostatic Dipolar Energy of Large Periodic Ni fcc Nanowires, Slabs and Spheres
title_sort Magnetostatic Dipolar Energy of Large Periodic Ni fcc Nanowires, Slabs and Spheres
dc.creator.none.fl_str_mv Cabria Álvaro, Iván
author Cabria Álvaro, Iván
author_facet Cabria Álvaro, Iván
author_role author
dc.subject.none.fl_str_mv Nanomagnetism
Nanomagnetismo
Magnetostatic dipolar energy
Energía dipolar magnetostática
Ewald method
Método de Ewald
topic Nanomagnetism
Nanomagnetismo
Magnetostatic dipolar energy
Energía dipolar magnetostática
Ewald method
Método de Ewald
description Producción Científica
publishDate 2019
dc.date.none.fl_str_mv 2019
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/submittedVersion
format article
status_str submittedVersion
dc.identifier.none.fl_str_mv https://doi.org/10.1016/j.apsusc.2019.05.307
http://uvadoc.uva.es/handle/10324/36734
url https://doi.org/10.1016/j.apsusc.2019.05.307
http://uvadoc.uva.es/handle/10324/36734
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv https://www.sciencedirect.com/science/article/pii/S0169433219316150?via%3Dihub
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by-nc-nd/4.0/
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by-nc-nd/4.0/
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:UVaDOC. Repositorio Documental de la Universidad de Valladolid
instname:Universidad de Valladolid
instname_str Universidad de Valladolid
reponame_str UVaDOC. Repositorio Documental de la Universidad de Valladolid
collection UVaDOC. Repositorio Documental de la Universidad de Valladolid
repository.name.fl_str_mv
repository.mail.fl_str_mv
_version_ 1869409743211069440
score 15.301603

Registos relacionados