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Ab initio calculation of H interactions with defects in fcc metals : crack tip dislocations and vacancies

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Figure 1.4: SEM images illustrating the impact of H on fracture in a hydride forming system (β Ti) [4]
Figure 1.9: TEM image of the dislocation structure around a crack in fatigue in Fe-Si alloy in He atmosphere, from [9].
Figure 1.10: TEM image of the dislocation structure around a crack in fatigue in Fe-Si alloy in H atmosphere, from [9].
Figure 2.1: Schematic diagram of “Jacobs ladder” of exchange-correlation functionals pro- pro-posed by J
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