Solute segregation has been studied at  symmetrical tilt grain boundaries, of the type Σ = 5/(310)/θ = 53.13° (|C| structure), in dilute Au-Pt and Ni-Pt alloys at T = 850K. The computational method is Monte Carlo simulation in conjunction with embedded atom method (EAM) potentials. The results demonstrate that, similar to the previously studied (002) symmetrical twist grain boundaries, segregation occurs differently in the two alloy systems. In Au-Pt the solute is enhanced on the Pt-rich side and depleted on the Au-rich side of the phase diagram. Alternatively, in Ni-Pt the solute is enhanced on both sides of the phase diagram. The distributions of solute atoms at grain boundaries and the implications for interpreting experimental data are discussed in detail. It is demonstrated that it is difficult to deconvolute macroscopic data to obtain microscopic information on the scale of the MC simulations.
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Ceramics and Composites
- Polymers and Plastics
- Metals and Alloys