Covalent bond in alloys Ni3Al, Co3Ti

V. I. Anisimov, G. V. Ganin

Research output: Contribution to journalArticlepeer-review

Abstract

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.

Original languageEnglish
Pages (from-to)201-203
Number of pages3
JournalPhysics of Metals and Metallography
Volume68
Issue number1
Publication statusPublished - 1989
Externally publishedYes

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