APPLICATION OF SKMF METHOD TO MODELING OF INTER- AND REACTIVE DIFFUSION IN TERNARY ALLOYS
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Abstract
The processes of interdiffusion in alloys with the formation and growth of intermediate phases is an urgent task of physical materials science, the solution of which is necessary to predict the properties of compounds between materials, in particular, in microelectronics. For binary alloys the basic principles of solving such problems have already been defined, but for multicomponent alloys and, in particular, ternary alloys – the problem remains ambiguous and very far from being solved. In particular, there is the problem of ambiguous choice of diffusion paths in the concentration triangle, the problem of formation or non-formation of two-phase zones, the problem of instability of diffusion paths in two-phase zones, etc. From an applied point of view, adding a third component to a binary alloy is a known way to optimize the bonding properties of materials. In particular, adding a few percent of zinc to a tin-based solder can significantly reduce the porosity of brazed joints.
The recently developed author's modification of the mean-field kinetic method for describing the reaction diffusion and competition of intermediate phases is generalized from the case of binary systems on ternary alloys (solid solutions, ordered intermediate phases and two-phase zones). This takes into account the interaction between atoms in the two coordination areas shells. To test the method, the temperature and interaction energies are chosen so that on the two sides (AB and BC) of the concentration triangle there is one intermediate ordered phase with a narrow interval of homogeneity, and on the third side (AC) there is complete solubility. The choice of the diffusion path and the kinetics of mutual diffusion, ordering and growth of intermediate phases, depending on the composition of the original diffusion couple are studied.
At the given parameters it was not necessary to add noise yet – all necessary intermediate phases were born and grew and without noise additions. The obtained results indicate the influence of the third component on the choice of the diffusion path. Next, it is planned to investigate the effect of asymmetry of energy parameters on the state diagram, path selection and phase growth kinetics. In addition, it is necessary to move to fcc lattices, which allow to obtain a much richer phase composition of the diffusion zone.
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References
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