Stability of concentration-related self-interstitial atoms in fusion material tungsten |
The recovery model of Frenkel pairs for the interstitial atoms and single vacancies. The super-cell structures are 4×4×4. (a) The 〈110〉 Frenkel pair of the interstitial configuration. (b) The 〈111〉 Frenkel pair of the interstitial configuration, “X and Y” represent the SIAs. The vacancy migration pathways in W lattice are: M1: atom A4→A3→A2→A1→Y; M2: atom A3→B2→B1→A1→Y; M3: atom A4→A3→A2→B1→Y; M4: atom H4→H3→H2→H1→Y; L1: atom V4→V3→V2→V1→Y; L2: atom T2→T1→V2→V1→Y; L3: atom C3→C2→C1→V1→Y. |