Calculated Location of Carbon and Boron Atoms in the Crystal Structures of α- and γ-Nb5Si3
- 作者: Kuz’mina N.1, Svetlov I.1, Marchenko E.2
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隶属关系:
- All-Russia Research Institute of Aviation Materials (VIAM)
- Faculty of Geology, Moscow State University
- 期: 卷 2018, 编号 7 (2018)
- 页面: 655-662
- 栏目: Article
- URL: https://journals.rcsi.science/0036-0295/article/view/172000
- DOI: https://doi.org/10.1134/S0036029518070066
- ID: 172000
如何引用文章
详细
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.
作者简介
N. Kuz’mina
All-Russia Research Institute of Aviation Materials (VIAM)
编辑信件的主要联系方式.
Email: viamlab1@mail.ru
俄罗斯联邦, Moscow, 105005
I. Svetlov
All-Russia Research Institute of Aviation Materials (VIAM)
Email: neremin@geol.msu.ru
俄罗斯联邦, Moscow, 105005
E. Marchenko
Faculty of Geology, Moscow State University
编辑信件的主要联系方式.
Email: neremin@geol.msu.ru
俄罗斯联邦, Moscow