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Ab Initio Modeling of Y and O Solute Atom Interaction in Small Clusters within the bcc Iron Lattice

2018

This work has been carried out within the framework of the EUROfusion Consortium and has received funding from the Euroatom research and training programme 2014–2018 under grant agreement No 633053. The authors are indebted to A. Möslang and P. V. Vladimirov for stimulating discussions. The views and opinions expressed herein do not necessarily reflect those of the European Commission.

010302 applied physicsMaterials scienceAb initio02 engineering and technology021001 nanoscience & nanotechnologyCondensed Matter PhysicsDFT calculations01 natural sciences7. Clean energyMolecular physicsElectronic Optical and Magnetic Materialsyttrium oxideLattice (order)oxide dispersion strengthened (ODS) steels0103 physical sciences:NATURAL SCIENCES:Physics [Research Subject Categories]0210 nano-technologydefectsphysica status solidi (b)

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