Abstract
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 language | English (US) |
|---|---|
| Pages (from-to) | 1959-1972 |
| Number of pages | 14 |
| Journal | Acta Metallurgica Et Materialia |
| Volume | 42 |
| Issue number | 6 |
| DOIs | |
| State | Published - Jun 1994 |
Funding
Acknowledgements--This research is supported by the NSF (grant No. DMR-9319074, Dr B. McDonald, grant officer). This work is also partially supported by grant number DMR920002N, and it utilizes the CRAY Y-MP and CRAY 2 systems at the National Center for Supercomputing Applications at the University of Illinois at Urbana-Champaign. This work made use of MRL Central facilities supported by the National Science Foundation, at the Materials Research Center of Northwestern University, under award No. DMR-9120521. We wish to thank Drs G. Martin and B. Legrand for stimulating discussions.
ASJC Scopus subject areas
- General Engineering