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dc.contributor.author
Piaggi, Pablo M.
dc.contributor.author
Bringa, Eduardo Marcial
dc.contributor.author
Pasianot, Roberto Cesar
dc.contributor.author
Gordillo, Nuria
dc.contributor.author
Panizo Laiz, M.
dc.contributor.author
Del Río, J.
dc.contributor.author
Gómez De Castro, C.
dc.contributor.author
Gonzalez Arrabal, R.
dc.date.available
2019-10-07T18:32:05Z
dc.date.issued
2015-01
dc.identifier.citation
Piaggi, Pablo M.; Bringa, Eduardo Marcial; Pasianot, Roberto Cesar; Gordillo, Nuria; Panizo Laiz, M.; et al.; Hydrogen diffusion and trapping in nanocrystalline tungsten; Elsevier Science; Journal of Nuclear Materials; 458; 1-2015; 233-239
dc.identifier.issn
0022-3115
dc.identifier.uri
http://hdl.handle.net/11336/85294
dc.description.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.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Elsevier Science
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
dc.subject
HYDROGEN DIFFUSION
dc.subject
NANOCRYSTALLINE TUNGSTEN
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COMPUTER SIMULATION
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Física de los Materiales Condensados
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Ciencias Físicas
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CIENCIAS NATURALES Y EXACTAS
dc.title
Hydrogen diffusion and trapping in nanocrystalline tungsten
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2019-10-07T17:57:28Z
dc.journal.volume
458
dc.journal.pagination
233-239
dc.journal.pais
Países Bajos
dc.journal.ciudad
Amsterdam
dc.description.fil
Fil: Piaggi, Pablo M.. Universidad Nacional de San Martín. Instituto Sabato; Argentina
dc.description.fil
Fil: Bringa, Eduardo Marcial. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Cuyo. Facultad de Ciencias Exactas y Naturales; Argentina
dc.description.fil
Fil: Pasianot, Roberto Cesar. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de San Martín. Instituto Sabato; Argentina. Comisión Nacional de Energía Atómica; Argentina
dc.description.fil
Fil: Gordillo, Nuria. Universidad Politécnica de Madrid; España
dc.description.fil
Fil: Panizo Laiz, M.. Universidad Politécnica de Madrid; España
dc.description.fil
Fil: Del Río, J.. Universidad Complutense de Madrid; España
dc.description.fil
Fil: Gómez De Castro, C.. Universidad Complutense de Madrid; España
dc.description.fil
Fil: Gonzalez Arrabal, R.. Universidad Politécnica de Madrid; España
dc.journal.title
Journal of Nuclear Materials
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.jnucmat.2014.12.069
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0022311514010113
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