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.
Similar content being viewed by others
References
E. N. Kablov, N. V. Petrushin, and E. S. Elyutin, Vestn. Mosk. Gos. Tekh. Univ. im. N. E. Baumana, Ser. “Mashinostr,” No. SP2, 38 (2011).
E. N. Kablov, Yu. A. Bondarenko, and D. E. Kablov, Aviatsionnye Mater. Tekhnol., No. 4, 25 (2011).
E. N. Kablov, I. L. Svetlov, and I. Yu. Efimochkin, Vestn. Mosk. Gos. Tekh. Univ. im. N. E. Baumana, Ser. “Mashinostr,” No. SP2, 164 (2011).
O. B. Timofeeva, V. G. Kolodochkina, N. F. Shvanova, and A. V. Neiman, Aviatsionnye Mater. Tekhnol., No. 1, 60 (2015).
I. L. Svetlov, Materialovedenie, Nos. 9–10, 18 (2010).
I. L. Svetlov, N. A. Kuz’mina, A. V. Neiman, et al., Izv. Ross. Akad. Nauk, Ser. Fiz. 79 (9), 1294 (2015).
E. N. Kablov and S. A. Muboyadzhyan, Aviatsionnye Mater. Tekhnol., No. S, 60 (2012).
E. N. Kablov, Aviatsionnye Mater. Tekhnol., No. 1 (34), 3 (2015). doi 10.18577/2071-9140-2015-0-1-3-33
V. S. Urusov and N. N. Eremin, Atomistic Computer Simulation of the Structure and Properties of Inorganic Crystals and Minerals, Their Defects, and Solid Solutions (GEOS, Moscow, 2012) [in Russian].
Yu. A. Kocherzhinskii, L. M. Yupko, and E. A. Shishkin, Metally, No. 1, 206 (1980).
N. A. Kuz’mina and Yu. A. Bondarenko, Tr.VIAM No. 5, 19 (2016). http://www.viam-works.ru. doi 10.18577/2307-6046-2016-0-5-3-3
B. P. Bewlay, C. L. Briant, M. R. Jacson, and P. R. Subramanian, Proc. 15th Int. Plansee Seminar, 2001, Vol. 1, p. 404.
H. Mehrer, Diffusion in Solids: Fundamentals, Methods, Materials, Diffusion-Controlled Processes (Springer, Berlin, 2007).
G. V. Samsonov, L. A. Dvorina, and B. M. Rud’, Silicides (Metallurgiya, Moscow, 1979) [in Russian].
H. Nowotny, Berg-und Huttenmanische Monatsh. 110, 171 (1965).
E. M. Savitskii, Yu. V. Efimov, O. I. Bodak, et al., Neorg. Mater. 17 (12), 2207 (1981).
V. E. Semenenko and N. N. Pilipenko, Vopr. At. Nauki Tekh., Ser.: Vak., Chist. Mater., Sverkhprovodn., No. 4, 143 (2007).
N. A. Muromtsev, E. I. Marchenko, N. N. Eremin, and N. A. Kuz’mina, Proc. 8th All-Russia Conf. “Minerals: Structure, Properties, and Methods of Study,” 2016, p. 27.
V. A. Blatov, A. P. Shevchenko, and V. N. Serezhkin, Russ. J. Coord. Chem. 25 (7), 453 (1999).
B. Aronsson, Acta Chem. Scand. 9, 1107 (1955).
Yu. A. Kocherzhinsky, L. M. Yupko, and E. A. Shishkin, Russ. Metall. 1, 184 (1980).
H. Schachner, E. Cerwenka, and H. N. Nowotny, Monatsh. Chem. Verw. Teile Anderer Wiss. 85, 245 (1954).
R. G. Yusupov, C. J. Stanley, M. D. Welch, et al., Mineral. Mag. 73, 43 (2009).
J. C. Slater, J. Chem. Phys. 41 (10), 3199 (1964).
Author information
Authors and Affiliations
Corresponding author
Additional information
Original Russian Text © N.A. Kuzmina, N.N. Eremin, E.I. Marchenko, I.L. Svetlov, N.A. Muromtsev, A.V. Neuman, D.A. Yakushev, 2018, published in Kristallografiya, 2018, Vol. 63, No. 3, pp. 366–373.
Rights and permissions
About this article
Cite this article
Kuzmina, N.A., Eremin, N.N., Marchenko, E.I. et al. Diffusion Paths for Interstitial Impurities in Different Polymorphic Modifications of Niobium Silicide Nb5Si3. Crystallogr. Rep. 63, 319–326 (2018). https://doi.org/10.1134/S106377451803015X
Received:
Published:
Issue Date:
DOI: https://doi.org/10.1134/S106377451803015X