Abstract:
The hydrogen behavior in nanocrystalline W (ncW) samples with grain size of 5 and 10 nm is studied using Molecular Dynamics (MD) with a bond order potential (BOP) for the W-H system. The dependence of the hydrogen diffusion coefficient on grain size (5 and 10 nm) and hydrogen concentration (0.1 at.% < [H] < 10.0 at.%) is calculated. These data show that in all cases the hydrogen diffusion coefficient is lower for ncW than for coarse-grained samples. Trapping energies of grain boundaries are estimated and a broad distribution roughly centered at the vacancy trapping energy is found. Hydrogen diffusion results are interpreted within the trapping model by Kirchheim for nanocrystalline materials. The H-H interaction is evaluated and the possible formation of H2 is disregarded for the conditions in these simulations. Hydrogen segregation and trapping in grain boundaries for ncW is discussed, including extrapolations for micron-sized polycrystals. © 2014 Elsevier B.V. All rights reserved.
Registro:
Documento: |
Artículo
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Título: | Hydrogen diffusion and trapping in nanocrystalline tungsten |
Autor: | Piaggi, P.M.; Bringa, E.M.; Pasianot, R.C.; Gordillo, N.; Panizo-Laiz, M.; Del Río, J.; Gómez De Castro, C.; Gonzalez-Arrabal, R. |
Filiación: | Instituto Sabato, UNSAM/CNEA, Avda. Gral. Paz 1499, San Martín, Argentina Facultad de Ciencias Exactas y Naturales, Universidad Nacional de Cuyo, Mendoza, Argentina CONICET, Avda. Rivadavia 1917, Buenos Aires, Argentina CAC-CNEA, Gerencia de Materiales, Avda. Gral. Paz 1499, San Martín, Argentina Instituto de Fusión Nuclear, Universidad Politécnica de Madrid, C/ José Gutiérrez Abascal 2, Madrid, Spain Departamento de Física de Materiales, Facultad de CC. Físicas, Universidad Complutense de Madrid, Ciudad Universitaria s/n, Madrid, Spain Departamento de Física de Materiales, Facultad de CC. Químicas, Universidad Complutense de Madrid, Ciudad Universitaria s/n, Madrid, Spain
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Palabras clave: | Grain boundaries; Grain size and shape; Hydrogen; Molecular dynamics; Nanocrystalline materials; Nanocrystals; Bond-order potential; Hydrogen behavior; Hydrogen concentration; Hydrogen diffusion; Hydrogen diffusion coefficients; Nanocrystallines; Trapping energy; Vacancy trapping; Diffusion |
Año: | 2015
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Volumen: | 458
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Página de inicio: | 233
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Página de fin: | 239
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DOI: |
http://dx.doi.org/10.1016/j.jnucmat.2014.12.069 |
Título revista: | Journal of Nuclear Materials
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Título revista abreviado: | J Nucl Mater
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ISSN: | 00223115
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CODEN: | JNUMA
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Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00223115_v458_n_p233_Piaggi |
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Citas:
---------- APA ----------
Piaggi, P.M., Bringa, E.M., Pasianot, R.C., Gordillo, N., Panizo-Laiz, M., Del Río, J., Gómez De Castro, C.,..., Gonzalez-Arrabal, R.
(2015)
. Hydrogen diffusion and trapping in nanocrystalline tungsten. Journal of Nuclear Materials, 458, 233-239.
http://dx.doi.org/10.1016/j.jnucmat.2014.12.069---------- CHICAGO ----------
Piaggi, P.M., Bringa, E.M., Pasianot, R.C., Gordillo, N., Panizo-Laiz, M., Del Río, J., et al.
"Hydrogen diffusion and trapping in nanocrystalline tungsten"
. Journal of Nuclear Materials 458
(2015) : 233-239.
http://dx.doi.org/10.1016/j.jnucmat.2014.12.069---------- MLA ----------
Piaggi, P.M., Bringa, E.M., Pasianot, R.C., Gordillo, N., Panizo-Laiz, M., Del Río, J., et al.
"Hydrogen diffusion and trapping in nanocrystalline tungsten"
. Journal of Nuclear Materials, vol. 458, 2015, pp. 233-239.
http://dx.doi.org/10.1016/j.jnucmat.2014.12.069---------- VANCOUVER ----------
Piaggi, P.M., Bringa, E.M., Pasianot, R.C., Gordillo, N., Panizo-Laiz, M., Del Río, J., et al. Hydrogen diffusion and trapping in nanocrystalline tungsten. J Nucl Mater. 2015;458:233-239.
http://dx.doi.org/10.1016/j.jnucmat.2014.12.069