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From first-principles calculations, we estimated the trapping energy of hydrogen atom at the interstitial site of perfect crystals of Mg 2 Si and Al 7 FeCu 2 intermetallic compounds in the aluminum matrix. We found that Al 7 FeCu 2 trapped hydrogen atoms strongly, whereas Mg 2 Si did not. The highest trapping energy in Al 7 FeCu 2 is 0.56 eV/atom. We also found that the density of hydrogen trapping can be increased up to about 13 atoms/nm 3 while keeping high trapping energy of about 0.40 eV/atom. We inferred that the Al 7 FeCu 2 phase might remove hydrogen from the aluminum matrix, hence, preventing hydrogen embrittlement of aluminum alloy.

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