In this study we have performed single-electron calculations for alloys Ni3Al and Co3Ti and analysed the angular distribution of the density of valent electrons on the different types of atom. The difference between the angular distributions of binding and antibinding electrons in alloys Ni3Al and Co3Ti correlated with differences in their strength properties. The sublattice of nickel atoms providing the strength of alloy Ni3Al is destroyed on the grain boundary, weak Ni-Al bonds begin to be operative and the strength of the boundary is lowered. Directional bonds of the d-type arise in alloy Co3Ti when the atomic distribution changes and an intergranular boundary is formed.
|Number of pages||3|
|Journal||Physics of Metals and Metallography|
|Publication status||Published - 1989|