By means of calculations it is established that addition of nickel-aluminum additives leads to increase in thermal effect and to formation of materials of the set phase structure. The comparative analysis of results of settlement and instrument experiments has shown the satisfactory consent that allows to speak about a correctness of the developed numerical model, and also possibility of selection of optimum initial values of energy of a source of a thermal emission as the factor, allowing to operate reaction of self-spreading hightemperature synthesis and finally phase structure of an end-product.