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Phonon dispersions in random alloys: a method based on special quasi-random structure force constants

Yi Wang1, Chelsey L Zacherl, Shunli Shang

  • 1Materials Science and Engineering, The Pennsylvania State University, University Park, PA 16802, USA.

Journal of Physics. Condensed Matter : an Institute of Physics Journal
|November 15, 2011
PubMed
Summary

Researchers developed a new method for calculating phonon dispersions in random alloys using density functional theory. This approach accurately models alloy properties, showing good agreement with experimental data.

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