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Atomistic calculations of composite interfaces

✍ Scribed by Baskes, M I; Angelo, J E; Bisson, C L

Book ID
115446436
Publisher
Institute of Physics
Year
1994
Tongue
English
Weight
811 KB
Volume
2
Category
Article
ISSN
0965-0393

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We calculate lattice constants a and b of mullite with its compositions (Al 2 [Al 2+2x Si 2-2x ]O 10-x ) using the constant stress molecular dynamics (MD) method. The Matsui's and Winkler's interatomic models for aluminosilicate are adapted. Two sets of mullite models are considered, one with a rand