Published March 18, 2023
| Version v1
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Segregation of Alkaline Earth Atoms affects Prenucleation at the L-Al/γ-Al2O3 Interfaces
Creators
- 1. Brunel Centre for Advanced Solidification Technology (BCAST), Brunel University London, Uxbridge, Middlesex UB8 3Ph, UK
Description
The AIMD simulations revealed that most segregated Mg atoms stay at the γ-Al2O3{1 1 1}AlMg1 substrate surface, while one Mg is moving into the substrate gradually. The final position at (t = 540fs) is the tetragonal site in γ-Al2O3. This event may relate to the initiation of formation of MgAl2O4 spinel from native γ-Al2O3 (nano-)particles in AlMg alloys during liquid-handling and casting process.
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