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Molecular dynamics studies of the structure of γ-alumina

✍ Scribed by Luis Javier Alvarez; Javier Fernández Sanz; María José Capitán; José Antonio Odriozola


Book ID
107736501
Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
277 KB
Volume
192
Category
Article
ISSN
0009-2614

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📜 SIMILAR VOLUMES


Molecular dynamics simulations of γ-alum
✍ Slawomir Blonski; Stephen H. Garofalini 📂 Article 📅 1993 🏛 Elsevier Science 🌐 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