Bibliographic Details
| Title: |
Atomic-scale ab initio study of the Zr–H system: II. Interaction of H with plane defects and mechanical properties |
| Authors: |
Domain, C.1,2, Besson, R.2, Legris, A.2 alexandre.legris@univ-lille1.fr |
| Source: |
Acta Materialia. Apr2004, Vol. 52 Issue 6, p1495. 8p. |
| Subjects: |
Hydrogen, Deformations (Mechanics), Surfaces (Technology), Friction, Strains & stresses (Mechanics), Elastic solids, Material plasticity |
| Abstract: |
The interaction of hydrogen with plane defects (free surfaces and stacking faults SF) in the α-Zr–H solid solution was studied using ab initio calculations based on density functional theory. A high amount of H strongly lowers surface excess energies but has little influence on critical cleavage stresses, in contradiction with usual models correlating both quantities. H significantly reduces SF excess energies, thus possibly enhancing planar slip and hindering cross-slip, in agreement with the predictions of the hydrogen-enhanced localised plasticity (HELP) model. [Copyright &y& Elsevier] |
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| Database: |
Engineering Source |
