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

Conference · Fri Aug 13 00:00:00 EDT 1999

OSTI ID:9645

Julien, J P; Mayou, D; Turchi, P E

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.

• Research Organization: Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
• Sponsoring Organization: USDOE Office of Defense Programs (DP) (US)
• DOE Contract Number: W-7405-ENG-48
• OSTI ID: 9645
• Report Number(s): UCRL-JC-133537; DP0101031; DP0101031; TRN: AH200124%%418
• Resource Relation: Conference: 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; Other Information: PBD: 13 Aug 1999
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ALLOYS
ELECTRONIC STRUCTURE
FORECASTING
JAPAN
PHASE DIAGRAMS
PHASE STABILITY
STABILITY