Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1686247 | Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms | 2006 | 8 Pages |
Abstract
Atomic scale molecular dynamics simulations of displacement cascades are carried out in an initially defect-free MgO lattice and in a lattice where 0.2% of the Mg2+ ions have been replaced by Al3+ ions, charge compensated by magnesium vacancies. Results show that the properties of the cascade in the perfect lattice exhibit considerable anisotropy with respect to the direction of the incident primary knock-on atom (PKA). We find that a different anisotropy of equivalent magnitude occurs as a consequence of the (random) distribution of defects in the vicinity of the cascade. This suggests that the details of damage production during a cascade event can depend sensitively on the distribution of dopants and impurity atoms around the PKA.
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Authors
Antony R. Cleave, Robin W. Grimes, Roger Smith, Blas P. Uberuaga, Kurt E. Sickafus,