Diffusion Paths for Interstitial Impurities in Different Polymorphic Modifications of Niobium Silicide Nb5Si3


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Abstract

Structural models of the α, β, and γ modifications of Nb5Si3 silicides, which are used as a reinforcing phase in composites obtained in situ based on the Nb‒Si system, have been constructed by computer simulation methods. A geometric analysis of unit cells is performed using the H-poisk program to estimate the voids existing in the structures. The results of measuring the number of voids and their sizes are reported. A conclusion about possible diffusion paths of interstitial boron, carbon, nitrogen and oxygen atoms is drawn based on the calculation results, and the solubility of these impurities in the structure of each Nb5Si3 modification is estimated.

About the authors

N. A. Kuzmina

All-Russia Scientific Research Institute of Aviation Materials

Author for correspondence.
Email: viamlab1@mail.ru
Russian Federation, Moscow, 105005

N. N. Eremin

Moscow State University

Email: viamlab1@mail.ru
Russian Federation, Moscow

E. I. Marchenko

Moscow State University

Email: viamlab1@mail.ru
Russian Federation, Moscow

I. L. Svetlov

All-Russia Scientific Research Institute of Aviation Materials

Email: viamlab1@mail.ru
Russian Federation, Moscow, 105005

N. A. Muromtsev

Moscow State University

Email: viamlab1@mail.ru
Russian Federation, Moscow

A. V. Neuman

All-Russia Scientific Research Institute of Aviation Materials

Email: viamlab1@mail.ru
Russian Federation, Moscow, 105005

D. A. Yakushev

Moscow State University

Email: viamlab1@mail.ru
Russian Federation, Moscow

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