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Nanoscience and Technology: An International Journal
ESCI SJR: 0.228 SNIP: 0.484 CiteScore™: 0.37

ISSN Druckformat: 2572-4258
ISSN Online: 2572-4266

Nanoscience and Technology: An International Journal

Formerly Known as Nanomechanics Science and Technology: An International Journal

DOI: 10.1615/NanoSciTechnolIntJ.2019031220
pages 195-218


V. N. Demidov
Tomsk Polytechnic University, 30 Lenin Ave., Tomsk, 634050, Russia
Anna G. Knyazeva
Tomsk Polytechnic University, 30 Lenin Ave., Tomsk, 634050, Russia; Institute of Strength Physics and Materials Science, Siberian Branch of the Russian Academy of Sciences, 2/4 Akademicheskii Ave., Tomsk, 634021, Russia


This work is devoted to the development of a numerical algorithm for the system of kinetic equations corresponding to the formation of the Ti-TxCy composite with the prospect of subsequent using of this algorithm in the model of the technology of the synthesis of composites. In this Ti-C system, irreversible phases can appear under certain conditions typical of composite synthesis. No theoretical works are available however, that would model the synthesis of composites and consider chemical stages eventuating in nonequilibrium phase composition. The present work uses a multistage kinetic model of the formation of nonstoichiometric titanium carbide at a preset temperature. Reaction rates are assumed to be dependent on concentration by the mass action law. Additionally, the reaction rate retardation typical of solid-state reactions is presented with the aid of a special function. This results in nonlinear kinetic equations. The paper suggests an iteration algorithm for numerical embodiment of the kinetic model, as well as its special variants corresponding to different initiation conditions and initial data. Depending on the temperature and time of the synthesis, the final product contains the carbides TiC, Ti2C, Ti3C2, and TiC2 in various proportions. Among the irreversible carbides, the most stable one is TiC2. Taking into account the retardation of the reactions by the layer of products in the kinetic functions only extends the time necessary for conversions.


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