Study of the rate thermokinetic characteristics of the synthesis of nickel and titanium aluminides in layered nanocomposite structures of thin films based on molecular dynamics simulation
Jordan V. I. 1,2, Shmakov I. A 1
1Altai State University, Barnaul, Russia
2Khristianovich Institute of Theoretical and Applied Mechanics, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia
Email: W_Jordan@mail.ru

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On the basis of molecular dynamics simulation, as the rate thermokinetic characteristics of the process of self-propagating high-temperature synthesis of nickel and titanium aluminides, the maximum temperature growth rate in the combustion front and the velocity of the combustion front in layered nanocomposite Ni/Al and Ti/Al thin films are studied. The maxima of the temperature growth rate in the combustion front and the velocity of the combustion front, calculated from thermograms in various cross sections of thin films under study with layer thicknesses from 1.3 to 8.13 nm, reach maximum values in the ranges of 1011-1012 K/s and 17-50 m/s, respectively. Linear dependences of the rate thermokinetic characteristics on the specific interface area of heterogeneous layers are established with the invariance of the stoichiometry and temperature of the sections of the stationary combustion regime. Keywords: self-propagating high-temperature synthesis, thermokinetic characteristics, temperature growth rate, combustion wave front motion velocity, specific surface area, layered nanocomposite thin films, molecular dynamics simulation.
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