Computer experiment on study of Nb3Al-Al metal composite disordering mechanisms

By the molecular dynamics methods the disordering mechanism of two-dimensional crystal of metallic composite consisting both Ni3Al intermetallide phase and pure metal Al layer are studied. Calculation block of the examined two-dimensional composite presents the packing containing 104 atoms corresponding to plane of {111} fcc-lattice. Interactions between atoms are assigning by Morse potential functions. The crystal heating have been carried out pulse technique up to certain temperature with following store for 60 ps of computer time and prompt cooling up to 0 K, with the aid of energy dissipation out the calculation block limits. It is established that temperature stability ranges of the two-dimensional composite at absence of point defects are stretching from 0 to 750 K. In the work is shown, that vacancy introduction into both the aluminium layer and the nickel matrix considerably decrease temperature of beginning diffusion reconstruction of the composite material