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

Abstract

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.

Authors:
; ;
Publication Date:
Research Org.:
Lawrence Livermore National Lab., CA (US)
Sponsoring Org.:
USDOE Office of Defense Programs (DP) (US)
OSTI Identifier:
9645
Report Number(s):
UCRL-JC-133537; DP0101031
DP0101031; TRN: AH200124%%418
DOE Contract Number:  
W-7405-ENG-48
Resource Type:
Conference
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
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ALLOYS; ELECTRONIC STRUCTURE; FORECASTING; JAPAN; PHASE DIAGRAMS; PHASE STABILITY; STABILITY

Citation Formats

Julien, J P, Mayou, D, and Turchi, P E. Integrated quantum-mechanical approach to stability, chemical order and phase evolution in complex alloys. United States: N. p., 1999. Web.
Julien, J P, Mayou, D, & Turchi, P E. Integrated quantum-mechanical approach to stability, chemical order and phase evolution in complex alloys. United States.
Julien, J P, Mayou, D, and Turchi, P E. Fri . "Integrated quantum-mechanical approach to stability, chemical order and phase evolution in complex alloys". United States. https://www.osti.gov/servlets/purl/9645.
@article{osti_9645,
title = {Integrated quantum-mechanical approach to stability, chemical order and phase evolution in complex alloys},
author = {Julien, J P and Mayou, D and Turchi, P E},
abstractNote = {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.},
doi = {},
journal = {},
number = ,
volume = ,
place = {United States},
year = {1999},
month = {8}
}

Conference:
Other availability
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