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Author Turchi, P. E. A. ♦ Gonis, A. ♦ Drchal, V. ♦ Kudrnovsky, J.
Sponsorship (US)
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Publisher The American Physical Society
Language English
Subject Keyword CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS ♦ ALLOYS ♦ ELECTRONIC STRUCTURE ♦ PHASE DIAGRAMS ♦ STABILITY ♦ TEMPERATURE DEPENDENCE ♦ THERMODYNAMICS
Abstract A parameter-free electronic structure approach is applied to the study of stability and chemical order in substitutional bcc-based Ta-W alloys. The method is based on a Green's function description of the electronic structure of the random alloys. Configurational order is treated within the generalized perturbation method, and temperature effects are examined with a generalized mean-field approach. In contrast to the results summarized in the assessed phase diagram, an unambiguous tendency toward order with a B2 superstructure in a broad range of alloy composition is predicted. The details of the thermodynamics analysis, phase diagram, and short-range order are given for Ta-W alloys as a function of temperature and concentration.
ISSN 01631829
Educational Use Research
Learning Resource Type Article
Publisher Date 2001-08-15
Publisher Department Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Publisher Place United States
Journal Physical Review B
Volume Number 64
Issue Number 8
Organization Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)


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