Generation of Frenkel defects above the Debye temperature by proliferation of phonons near the Brillouin zone edge

A novel, non-radiative mechanism is reported by which Frenkel pairs of vacancies and interstitials are generated in molar concentrations far above thermal equilibrium. This mechanism is demonstrated in molecular dynamics (MD) simulations of an aluminum single crystal with a free surface. They sugges...

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Bibliographic Details
Main Authors: M Jongmanns, R Raj, D E Wolf
Format: Article
Language:English
Published: IOP Publishing 2018-01-01
Series:New Journal of Physics
Subjects:
Online Access:https://doi.org/10.1088/1367-2630/aadd5a