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    Por favor, use este identificador para citar o enlazar este ítem:http://uvadoc.uva.es/handle/10324/36734

    Título
    Magnetostatic Dipolar Energy of Large Periodic Ni fcc Nanowires, Slabs and Spheres
    Autor
    Cabria Álvaro, IvánAutoridad UVA Orcid
    Año del Documento
    2019
    Editorial
    Elsevier
    Descripción
    Producción Científica
    Documento Fuente
    Applied Surface Science, 2019, vol. 490. p. 352-364
    Abstract
    The 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.
    Palabras Clave
    Nanomagnetism
    Nanomagnetismo
    Magnetostatic dipolar energy
    Energía dipolar magnetostática
    Ewald method
    Método de Ewald
    ISSN
    0169-4332
    Revisión por pares
    SI
    DOI
    10.1016/j.apsusc.2019.05.307
    Patrocinador
    Ministerio de Economía, Industria y Competitividad ( grant MAT2014-54378-R)
    Junta de Castilla y León (grants VA050U14 and VA124G18)
    Version del Editor
    https://www.sciencedirect.com/science/article/pii/S0169433219316150?via%3Dihub
    Propietario de los Derechos
    © 2019 Elsevier
    Idioma
    eng
    URI
    http://uvadoc.uva.es/handle/10324/36734
    Tipo de versión
    info:eu-repo/semantics/submittedVersion
    Derechos
    openAccess
    Aparece en las colecciones
    • PNM - Artículos de revistas [30]
    • DEP33 - Artículos de revista [197]
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