Solute-atom segregation at (002) twist boundaries in dilute NiPt alloys: Structural/chemical relations

D. Udler*, D. N. Seidman

*Corresponding author for this work

Research output: Contribution to journalArticle

36 Scopus citations


Monte Carlo simulations, utilizing embedded atom method (EAM) potentials, are used to investigate solute-atom segregation behavior at symmetrical (002) twist boundaries, at T = 850 K, in Pt-3 at.% Ni and Ni-3 at.% Pt alloys. The results show that, unlike the previously investigated AuPt system, the boundaries are enhanced in solute atoms on both sides of the phase diagram. For low-angle boundaries on the Pt-rich side the atomic sites enhanced in solute concentration are arranged in hourglass-like structures centered on the square grid of primary grain boundary dislocations. While for the same boundaries on the Ni-rich side the atomic sites enhanced in solute concentration are located in bipyramidal regions based on the square cells of the same grain boundary dislocations. Thus, the atomic sites that are enhanced on one side of the phase diagram are not affected on the other side and vice versa.

Original languageEnglish (US)
Pages (from-to)1959-1972
Number of pages14
JournalActa Metallurgica Et Materialia
Issue number6
StatePublished - Jun 1994


ASJC Scopus subject areas

  • Engineering(all)

Cite this