Core structure and Peierls potential of screw dislocations in α-Fe from first principles: cluster versus dipole approaches

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

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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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Plastic anisotropy in b.c.c. transition metals

M. S. Duesbery, V. Vítek · Acta Materialia · 1998 · 509 citations · Full text

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Stability and Mobility of Mono- and Di-Interstitials in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>α</mml:mi></mml:math>-Fe

Chu‐Chun Fu, F. Willaime, Pablo Ordejón · Physical Review Letters · 2004 · 436 citations

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Dynamic transitions from smooth to rough to twinning in dislocation motion

Jaime Marian, Wei Cai, Vasily V. Bulatov · Nature Materials · 2004 · 321 citations

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