Self-diffusion in melts of Ni-Al and Ti-Al systems: molecular dynamics study

Self-diffusion in liquid alloys of Ni-Al and Ti-Al systems, depending on the concentration components, as well pure metals Al, Ni, Ti, has been studied using molecular dynamics method. Knowledge diffusion parameters melts binary such Ti-Al, is necessary for a more detailed understanding prediction processes occurring during combustion synthesis manufacture wares by melt casting. For considered self-diffusion characteristics (activation energy preexponential factor corresponding Arrhenius equation) are found separately atoms different types. Good agreement with experimental data was obtained metal melts, which indicates physical realism model EAM potentials used. In addition to metals, three component ratios were each system: A75B25, A50B50 A25B75. According obtained, activation substantially depends highest, among compositions, Ni75Al25 system Ti50Al50 system. At same time, no significant predominance mobility types observed all mixture compositions considered.