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Stability and elastic properties of L12-(Al,Cu)3(Ti,Zr) phases: Ab initio calculations and experiments

✍ Scribed by G. Ghosh; S. Vaynman; M. Asta; M.E. Fine


Book ID
116574299
Publisher
Elsevier Science
Year
2007
Tongue
English
Weight
513 KB
Volume
15
Category
Article
ISSN
0966-9795

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Ab initio calculations for properties of
✍ Xiaodong He; Yuelei Bai; Yibin Li; Chuncheng Zhu; Mingwei Li πŸ“‚ Article πŸ“… 2009 πŸ› Elsevier Science 🌐 English βš– 1013 KB

We have computed the lattice constants, bulk modulus, and total-and partial-density of states of MAX phases Ti 2 InC, Zr 2 InC and Hf 2 InC in the hexagonal P6 3 /mmc space group by ab initio calculation. The deviations from the experimental values for lattice constants are below 1.6%. The bulk modu