Atomic Transport & Diffusion

Cr Diffusion in Ni Bicrystals

Atomic transport through a single grain boundary

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Cr diffusion in a faceted Ni grain boundary — fast and slow branches either side of the interface.
Cr diffusion in a faceted Ni grain boundary — fast and slow branches either side of the interface. Concept graphic based on Acta Materialia 278 (2024) 120229. Not measured data.

Scientific question

How do the structure, faceting and defect content of a single grain boundary control the diffusion and segregation of chromium in nickel?

A high-purity Ni bicrystal used as a model system to resolve how chromium moves through one defined Σ11 grain boundary — and why a single boundary is not a single pathway.

Research Scientist — University of Münster (September 2018 – January 2024)

My contribution

What I did

I designed and ran the diffusion study on a model Ni Σ11 bicrystal — a specimen with one controlled grain boundary, so the measurement is attributable to that boundary rather than to a population of them.

I prepared the specimens, carried out the radiotracer diffusion experiments and the serial sectioning, and characterised the boundary geometry by 3D SEM and EBSD/OIM. I then analysed the penetration profiles, reconciled them with the measured facet structure, and connected the result to the atomistic picture with the modelling partners in the DFG-funded France–Germany collaboration. I wrote the manuscript as first author.

Methods

How it was measured

  • Model Ni Σ11 bicrystal with a single controlled boundary
  • Radiotracer diffusion measurement
  • Serial sectioning and penetration-profile analysis
  • 3D SEM and EBSD/OIM boundary characterisation
  • Atomistic and DFT interpretation with modelling partners

See these methods in full on the Expertise page

Key findings

What the work showed

01

The same grain boundary carries two distinct diffusion branches — a fast one and a slow one — rather than a single effective rate.

02

The split follows the boundary's facet structure: geometry and local defect content, not composition, set the transport rate.

03

Cr segregation and Cr transport are coupled, so the boundary chemistry evolves as diffusion proceeds.

04

Bicrystal rates bracket the scatter reported for Ni polycrystals, explaining that scatter as boundary-to-boundary variation.

This study used a high-purity Ni bicrystal as a model system to understand how chromium atoms move through a defined Σ11 grain boundary. By combining radiotracer diffusion, EBSD/OIM, SIMS comparison, DFT-supported segregation analysis and atomistic interpretation, the work showed that even one grain boundary can contain different structural segments that act as distinct diffusion pathways.

Why a model bicrystal

In a polycrystal, every measured diffusion coefficient is an average over thousands of boundaries with different characters. A bicrystal removes that averaging: one boundary, one known misorientation, one measurable transport path. That is what makes it possible to attribute a transport signature to a specific boundary structure rather than to a statistical population.

What we found

The Σ11{110} boundary is not structurally uniform along its length. It facets, and those facets — the 'defects of defects' — carry measurably different chromium mobilities. Grain-boundary segregation, supported by DFT, explains why: the local atomic environment at each facet sets both the site energy for Cr and the available migration path.

Grain-boundary diffusion and segregation of Cr in a faceted Ni bicrystal: boundary geometry, atomic structure, penetration profiles, and the fast and slow diffusion branches.
Grain-boundary diffusion and segregation of Cr in a faceted Ni bicrystal: boundary geometry, atomic structure, penetration profiles, and the fast and slow diffusion branches. Figure from Sevlikar et al., Acta Materialia 278 (2024) 120229. Open access, CC BY 4.0.
Why it matters

Chromium transport along grain boundaries governs oxidation resistance, Cr depletion and intergranular degradation in Ni-based alloys. Knowing that a single boundary can carry two transport rates changes how lifetime and degradation are predicted for components in demanding thermal and corrosive service.

Publication

Read the paper

Highlights

  • Grain-boundary diffusion
  • Ni Σ11 bicrystal
  • Cr segregation
  • Faceting
  • Radiotracer
  • EBSD/OIM

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