Concepedia

Stability and mobility of self-interstitials and small interstitial clusters in α-iron: ab initio and empirical potential calculations

F. Willaime, Chu‐Chun Fu, Mihai‐Cosmin Marinica, J. Dalla Torre

Nuclear Instruments and Methods in Physics Research Section B Beam Interactions with Materials and Atoms · 2004 · 150 citations · 14 references

DOI

Concepts

References

14

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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The SIESTA method for<i>ab initio</i>order-<i>N</i>materials simulation

José M. Soler, Emilio Artacho, Julian D. Gale et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text

, , +17

Development of new interatomic potentials appropriate for crystalline and liquid iron

Mikhail I. Mendelev, Seungwu Han, David J. Srolovitz et al. · The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics · 2003 · 1.3K citations

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Interstitials and Vacancies in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>α</mml:mi></mml:math>Iron

R. A. Johnson · Physical Review · 1964 · 719 citations · Full text

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Computer simulation of point defect properties in dilute Fe—Cu alloy using a many-body interatomic potential

Graeme J. Ackland, David Bacon, A.F. Calder et al. · Philosophical magazine. A/Philosophical magazine. A. Physics of condensed matter. Structure, defects and mechanical properties · 1997 · 638 citations

, , +17