HN

Hiroshi Numakura

Authored

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Ab initio characterization of B, C, N, and O in bcc iron

Solution and migration energies and elastic strain fields

Practical and reliable methods for theoretically determining the properties of B, C, N, and O in bcc iron have been explored by systematic DFT calculations. The energies of solution and migration, and the elastic strain fields due to the solute atom have been evaluated by superce ...