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Related Experiment Video

Updated: May 25, 2026

3D Depth Profile Reconstruction of Segregated Impurities Using Secondary Ion Mass Spectrometry

Published on: April 29, 2020

Understanding Cr segregation at the He bubble surface in Fe.

W Hao¹, W T Geng

¹School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083, People's Republic of China.

Journal of Physics. Condensed Matter : an Institute of Physics Journal

|February 8, 2012

Summary

Chromium (Cr) segregation to helium (He) bubble surfaces in iron (Fe) is driven by bubble stress and interface interactions. This segregation impacts material properties by altering electronic structure and hindering further helium assimilation.

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Published on: June 13, 2015

Area of Science:

Materials Science
Computational Materials Science
Surface Science

Background:

Chromium (Cr) segregation at free iron (Fe) surfaces is minimal.
Recent observations show significant Cr segregation at helium (He) bubble surfaces within Fe.

Purpose of the Study:

To investigate the driving forces behind Cr segregation to He bubble surfaces in Fe.
To understand the energetic and electronic structure changes associated with Cr segregation at the Fe/He interface.

Main Methods:

First-principles density functional theory (DFT) calculations.
Modeling the He bubble surface as an Fe/He interface.
Analysis of solute Cr atom energetics and electronic structure at the interface.

Main Results:

Compressive stress from He bubbles and direct interfacial interactions promote Cr segregation.
Cr segregation leads to reduced spin polarization at the Fe/He interface.
Cr is more compressible than Fe at the interface due to available empty e(g) orbitals, making the surface energetically favorable.

Conclusions:

Both mechanical stress and interfacial energetics drive Cr segregation to He bubble surfaces in Fe.
Segregation of Cr alters the electronic structure and increases charge density at the bubble surface.
Increased charge density at the bubble surface may impede further helium atom assimilation.