Figure 1 | Scientific Reports

Figure 1

From: Vacancy assisted He-interstitial clustering and their elemental interaction at fcc-bcc semicoherent metallic interface

Figure 1

(a) Top view of the first neighbouring interfacial (Cu4-Nb4) layers. Red dots inside the blue circles represent the selected site for a Cu or Nb vacancy in the first neighbouring interfacial layers. At the MDI region, Cu and Nb vacancy position overlaps with each other. Formation energy of V, He and VHe complex at MDI and NON-MDI sites of the first and second neighbouring interfacial layers is shown in figure (b–d) respectively. (e) The unrelaxed configuration of a He atom at the MDI region of the Cu4 layer. (f) After structural relaxation the He atom finds its stable position near the Nb4 layer, (g) but insertion of a metallic vacancy at the MDI region of the Cu4 layer makes the He atom to come back to the Cu4 layer and occupy the metallic vacancy position. The top view of the same configuration as shown in (e–g) is depicted in (h–j) respectively.

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