Solute Segregation to Grain Boundaries in Al: A First-Principles Evaluation

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Numerical Analysis, Engineering, Machine Learning +19

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 116.1K citations

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Ultrahigh Strength and High Electrical Conductivity in Copper

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Engineering, Severe Plastic Deformation, Mechanical Engineering +16

Dislocation processes in the deformation of nanocrystalline aluminium by molecular-dynamics simulation

V. Yamakov, D. Wolf, Simon R. Phillpot et al. · Nature Materials · 2002 · 961 citations

Materials Science, Engineering, Severe Plastic Deformation +13