Observatorio de I+D+i UPM

Memorias de investigación
Research Publications in journals:
Hydrogen diffusion and trapping in nanocrystalline tungsten
Year:2015
Research Areas
  • Engineering
Information
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.
International
Si
JCR
Si
Title
JOURNAL OF NUCLEAR MATERIALS
ISBN
0022-3115
Impact factor JCR
2,016
Impact info
Volume
458
Journal number
From page
233
To page
239
Month
SIN MES
Ranking
Participants
  • Autor: P.M. Piaggi (Instituto Sabato, UNSAM/CNEA, Argentina)
  • Autor: E.M. Bringa (Facultad de Ciencias Exactas y Naturales, Universidad Nacional de Cuyo)
  • Autor: R.C. Pasianot (Instituto Sabato, UNSAM/CNEA,)
  • Autor: Nuria Gordillo Garcia (UPM)
  • Autor: Miguel Panizo Laiz (UPM)
  • Autor: J. del Río (Departamento de Física de Materiales, Facultad de CC. Físicas, Universidad Complutense de Madrid)
  • Autor: C. Gómez de Castro (Departamento de Física de Materiales, Facultad de CC. Químicas, Universidad Complutense de Madrid)
  • Autor: Raquel Gonzalez Arrabal (UPM)
Research Group, Departaments and Institutes related
  • Creador: Grupo de Investigación: Fusión Nuclear Inercial y Tecnología de fusión
  • Centro o Instituto I+D+i: Instituto de Fusión Nuclear
S2i 2020 Observatorio de investigación @ UPM con la colaboración del Consejo Social UPM
Cofinanciación del MINECO en el marco del Programa INNCIDE 2011 (OTR-2011-0236)
Cofinanciación del MINECO en el marco del Programa INNPACTO (IPT-020000-2010-22)