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arXiv · 1107.0260

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

T. P. C. Klaver·D. J. Hepburn·G. J. Ackland
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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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T. P. C. Klaver, D. J. Hepburn, G. J. Ackland. 2011-07-01. Defect and solute properties in dilute Fe-Cr-Ni austenitic alloys from first principles. https://doi.org/10.1103/physrevb.85.174111

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