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Physics  2011 

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

DOI: 10.1103/PhysRevB.85.174111

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Abstract:

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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