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A CALPHAD study on the thermodynamic stability of calcium-, zinc-, and yttrium-doped magnesium in aqueous environments

✍ Scribed by Kaisheng Wu; Ömer N. Doğan; Oleg I. Velikokhatnyi; Prashant N. Kumta


Book ID
113810110
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
404 KB
Volume
176
Category
Article
ISSN
0921-5107

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First-principles studies on alloying and
✍ Oleg I. Velikokhatnyi; Prashant N. Kumta 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 360 KB

In the present study, the density functional theory implemented in the Vienna Ab-initio Simulation Package has been used to investigate the alloying effects of different elements of calcium, zinc, yttrium, aluminum and iron when introduced in the Mg crystal lattice. In particular, studies have been