Energetics of hydrogen impurities in aluminum and their effect on mechanical properties

Details Energetics of hydrogen impurities in aluminum and their effect on mechanical properties Energetics of hydrogen impurities in aluminum and their effect on mechanical properties

2001-09-06

arxiv.org/abs/cond-mat/0109131v1

Physics

Condensed Matter

Materials Science

9 pages, 5 figures

Scientific paper

10.1103/PhysRevB.65.064102

The effects of hydrogen impurities in the bulk and on the surface of aluminum are theoretically investigated. Within the framework of density functional theory, we have obtained the dependence on H concentration of the stacking fault energy, the cleavage energy, the Al/H surface energy and the Al/H/Al interface formation energy. The results indicate a strong dependence of the slip energy barrier in the $[\bar 211]$ direction the cleavage energy in the [111] direction and the Al/H/Al interface formation energy, on H concentration and on tension. The dependence of the Al/H surface energy on H coverage is less pronounced, while the optimal H coverage is $\leq 0.25$ monolayer. The calculated activation energy for diffusion between high symmetry sites in the bulk and on the surface is practically the same, 0.167 eV. From these results, we draw conclusions about the possible effect of H impurities on mechanical properties, and in particular on their role in embrittlement of Al.

Affiliated with

Also associated with

No associations

Rating

Energetics of hydrogen impurities in aluminum and their effect on mechanical properties does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Energetics of hydrogen impurities in aluminum and their effect on mechanical properties, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Energetics of hydrogen impurities in aluminum and their effect on mechanical properties will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-106792