Calculated Location of Carbon and Boron Atoms in the Crystal Structures of α- and γ-Nb5Si3
- Autores: Kuz’mina N.1, Svetlov I.1, Marchenko E.2
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Afiliações:
- All-Russia Research Institute of Aviation Materials (VIAM)
- Faculty of Geology, Moscow State University
- Edição: Volume 2018, Nº 7 (2018)
- Páginas: 655-662
- Seção: Article
- URL: https://journals.rcsi.science/0036-0295/article/view/172000
- DOI: https://doi.org/10.1134/S0036029518070066
- ID: 172000
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Resumo
Atomistic computer simulation is used to calculate the Gibbs energy at 300 K in the α and γ modifications of Nb5Si3, which are reinforcing phases in in situ composite materials based on the Nb–Si system. The calculations are carried out for boron and carbon atoms at interstitial sites. The calculated change in the Gibbs energy ΔG300 K and crystal chemistry analysis are used to conclude about the referred localization and solubility of boron and carbon atoms in the structures of the α and γ modifications of Nb5Si3.
Sobre autores
N. Kuz’mina
All-Russia Research Institute of Aviation Materials (VIAM)
Autor responsável pela correspondência
Email: viamlab1@mail.ru
Rússia, Moscow, 105005
I. Svetlov
All-Russia Research Institute of Aviation Materials (VIAM)
Email: neremin@geol.msu.ru
Rússia, Moscow, 105005
E. Marchenko
Faculty of Geology, Moscow State University
Autor responsável pela correspondência
Email: neremin@geol.msu.ru
Rússia, Moscow