Energetics and nucleation of point defects in aluminum under extreme tensile hydrostatic stresses

Density functional theory calculations are employed to investigate the energetics of point defects-monovacancy, self-interstitials (tetrahedral, octahedral, and dumbbell), and Frenkel pairs-in aluminum under tensile hydrostatic stresses. Our study suggests that the defect core energy of a vacancy, w...

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Veröffentlicht in:	Physical review. B, Condensed matter and materials physics Condensed matter and materials physics, 2014-01, Vol.89 (1), Article 014108
Hauptverfasser:	Iyer, Mrinal, Gavini, Vikram, Pollock, Tresa M.
Format:	Artikel
Sprache:	eng
Schlagworte:	Defects Enthalpy Formations Hydrostatics Nucleation Point defects Stresses Vacancies
Online-Zugang:	Volltext
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