Concepedia

Segregation mechanism of alloying elements at the fcc-Fe/bcc-Fe interface and its effects on carbon diffusion across the boundary

Haiyan Wang, Xueyun Gao, Lei Xing, Huijie Tan, Hongliang Lin, Shiyi Gao

Journal of Physics and Chemistry of Solids · 2023 · 13 citations · 38 references

DOI

Concepts

References

38

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

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Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations

, , +17

From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 83.6K citations

, , +17

A climbing image nudged elastic band method for finding saddle points and minimum energy paths

Graeme Henkelman, Blas P. Uberuaga, Hannes Jónsson · The Journal of Chemical Physics · 2000 · 21.2K citations

, , +17

The impurity-drag effect in grain boundary motion

John W. Cahn · Acta Metallurgica · 1962 · 1.5K citations

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