Atomic scale structural effects on solute-atom segregation at grain boundaries

J. D. Rittner*, D. Udler, D. N. Seidman, Y. Oh

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

29 Scopus citations


The connections between grain boundary (GB) structure and segregation are elucidated for a=5(310) tilt GB, for a Pt-1 at.% Au alloy, at 850 K. The binding free energy of segregation at specific sites in the |C| and |C′| structures is calculated using the overlapping distributions Monte Carlo method and indirectly via Monte Carlo simulations. The segregation free energy profiles for the |C| and |C′| structures are very different. The adsorptive capacity for solute of the |C| and |C′| tilt GB structures are compared to the same quantity for a=5(002) twist GB between 850 and 1650 K.

Original languageEnglish (US)
Pages (from-to)1115-1118
Number of pages4
JournalPhysical review letters
Issue number7
StatePublished - 1995

ASJC Scopus subject areas

  • General Physics and Astronomy


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