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Physics Commons

Open Access. Powered by Scholars. Published by Universities.®

1994

Selected Works

Selected Works

Duane D. Johnson

Articles 1 - 1 of 1

Full-Text Articles in Physics

First-Principles All-Electron Theory Of Atomic Short-Range Ordering In Metallic Alloys: D022- Versus L12-Like Correlations, Duane D. Johnson, J. B. Staunton, F. J. Pinski Jul 1994

First-Principles All-Electron Theory Of Atomic Short-Range Ordering In Metallic Alloys: D022- Versus L12-Like Correlations, Duane D. Johnson, J. B. Staunton, F. J. Pinski

Duane D. Johnson

We use a ‘‘first-principles’’ concentration-wave approach based on a finite-temperature, electronic density-functional, mean-field, grand potential of the random alloy to investigate the high-temperature atomic short-range order (ASRO) in Ni75V25 and Pd75V25 solid solutions. Experimentally, these similar alloys both develop D022-type long-range order at low temperatures but different ASRO at high temperatures. Our calculations describe the measured ASRO well. We compare these results with those found for a hypothetical Co75Ti25 solid solution. Since this alloy orders directly from the melt into the L12 phase, it should exhibit strong L12-like ASRO, as we find in our calculations. We analyze the features in ...