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arxiv: 1107.0260 · v2 · pith:5RLQX5GQnew · submitted 2011-07-01 · ❄️ cond-mat.mtrl-sci

Defect and solute properties in dilute Fe-Cr-Ni austenitic alloys from first principles

classification ❄️ cond-mat.mtrl-sci
keywords austeniticdefectdilutealloysbindingcalculationsclusteringconcentrations
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We present results of an extensive set of first-principles density functional theory calculations of point defect formation, binding and clustering energies in austenitic Fe with dilute concentrations of Cr and Ni solutes.

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