Integrated quantum-mechanical approach to stability, chemical order and phase evolution in complex alloys

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The authors first briefly review and illustrate the application of a state-of-the-art approach to the study of phase stability properties of substitutional alloys based on periodic lattices with the prediction of the phase diagram of Ta-W. Then, they schematically present a real-space approach based on electronic structure calculations for studying stability, chemical order and phase evolution in the case of multi-component alloys which exhibit both chemical order and topological disorder. Potential applications, and preliminary results are discussed.

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570 Kilobytes pages

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Julien, J P; Mayou, D & Turchi, P E August 13, 1999.

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Description

The authors first briefly review and illustrate the application of a state-of-the-art approach to the study of phase stability properties of substitutional alloys based on periodic lattices with the prediction of the phase diagram of Ta-W. Then, they schematically present a real-space approach based on electronic structure calculations for studying stability, chemical order and phase evolution in the case of multi-component alloys which exhibit both chemical order and topological disorder. Potential applications, and preliminary results are discussed.

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570 Kilobytes pages

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  • Japan Institute of Metals in the Proceedings of the International Conference on Solid-Solid Phase Transformations'99, PTM'99, Kyoto (JP), 05/24/1999--05/28/1999

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  • Report No.: UCRL-JC-133537
  • Report No.: DP0101031
  • Grant Number: W-7405-ENG-48
  • Office of Scientific & Technical Information Report Number: 9645
  • Archival Resource Key: ark:/67531/metadc793465

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Office of Scientific & Technical Information Technical Reports

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  • August 13, 1999

Added to The UNT Digital Library

  • Dec. 19, 2015, 7:14 p.m.

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  • May 6, 2016, 3:56 p.m.

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Julien, J P; Mayou, D & Turchi, P E. Integrated quantum-mechanical approach to stability, chemical order and phase evolution in complex alloys, article, August 13, 1999; California. (digital.library.unt.edu/ark:/67531/metadc793465/: accessed June 19, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.