Molecular dynamics simulations of γ-alum
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Slawomir Blonski; Stephen H. Garofalini
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Article
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1993
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Elsevier Science
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English
⚖ 715 KB
Molecular dynamics simulations of the pure and doped surfaces of y-alumina have been performed. An onset of surface diffusion is observed in the pure samples near the temperature of 1200 K. The instability is caused by the cation vacancies adjacent to the surface. Silicon ions deposited into the vac