2009
DOI: 10.1016/j.corsci.2008.11.026
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Hydrogen permeation in Fe-40at.% Al alloy at different temperatures

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Cited by 18 publications
(6 citation statements)
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“…At the starting point, the H has two frequencies at 1506.80 and 1507.59 cm À1 . Our predicted barrier agrees with the H-diffusion barrier of 0.26 eV in bulk FeAl by DFT calculation, 23 but these are lower and higher than the experimental barriers of H diffusivity in Fe 3 Al (0.42 eV) 34 and Fe-40Al (0.22 eV), 35 respectively. As discussed above, H trapping around V Fe is thermodynamically and kinetically feasible away from the V Fe .…”
Section: Single H Trapping In V Fesupporting
confidence: 80%
“…At the starting point, the H has two frequencies at 1506.80 and 1507.59 cm À1 . Our predicted barrier agrees with the H-diffusion barrier of 0.26 eV in bulk FeAl by DFT calculation, 23 but these are lower and higher than the experimental barriers of H diffusivity in Fe 3 Al (0.42 eV) 34 and Fe-40Al (0.22 eV), 35 respectively. As discussed above, H trapping around V Fe is thermodynamically and kinetically feasible away from the V Fe .…”
Section: Single H Trapping In V Fesupporting
confidence: 80%
“…The amount of permeated hydrogen in the steel is known to relate to the effective diffusivity (D eff ) and sub-surface concentration (C o ) of atomic hydrogen at the charging side of the specimen [ [29][30][31][32]. For the permeation transients, two theoretical models have been suggested according to the different initial and boundary conditions: (1) constant concentration (CC) model; (2) constant flux (CF) model [33,34].…”
Section: Effect On the Effective Diffusivity And Sub-surface Concentrmentioning
confidence: 99%
“…Density functional theory's local density approximation calculations [141], in addition to periodic density functional theory calculations within the generalized gradient approximation [142], predicted that hydrogen sits at tetrahedral sites in the bulk Fe-Al lattice, like its interstitial sites in bulk Fe [143]. The activation barrier of some different alloys is presented in Table 5 [142,144,145]. Hydrogen diffusivity in iron-aluminides is lower than in pure Fe (Table 5) [144,146,147].…”
Section: Mechanism Of Hydrogen Ingressmentioning
confidence: 99%