Abstract
Hydrogen trapping in Σ=5 (310) [001] symmetrical grain boundary is studied by computer simulations at the atomic scale in Al-Mg. The influence of Mg segregation is investigated at T=0K by performing calculations on three grain boundary structures: a pure Al core structure, a Mg segregated boundary and a precipitated boundary. The H-Mg affinity is found to be second order with respect to the core effect. H segregation is further investigated by Monte-Carlo simulations at T=300K and C vol =10ppm An hydrogen induced core structure change is found which can participate to intergranular stress corrosion cracking (IGSCC).
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