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1ST-PRINCIPLES STUDY OF PHASE-STABILITY IN CU-ZN SUBSTITUTIONAL ALLOYS
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UNSPECIFIED (1991) 1ST-PRINCIPLES STUDY OF PHASE-STABILITY IN CU-ZN SUBSTITUTIONAL ALLOYS. PHYSICAL REVIEW LETTERS, 67 (13). pp. 1779-1782. ISSN 0031-9007.
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Abstract
A parameter-free approach to phase stability in Cu-Zn substitutional alloys is shown to describe order-disorder phenomena and structural transformations with remarkable accuracy. The method is based on a multiple-scattering description of the electronic structure properties of the random alloy. Configurational order is treated within the generalized perturbation method and the concentration-functional theory. Thermodynamical properties of alpha and beta-brasses are derived from the cluster variation method. This advanced scheme is of general validity and is expected to yield similarly accurate results for other Hume-Rothery alloys.
| Item Type: | Journal Article | ||||
|---|---|---|---|---|---|
| Subjects: | Q Science > QC Physics | ||||
| Journal or Publication Title: | PHYSICAL REVIEW LETTERS | ||||
| Publisher: | AMERICAN PHYSICAL SOC | ||||
| ISSN: | 0031-9007 | ||||
| Official Date: | 23 September 1991 | ||||
| Dates: |
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| Volume: | 67 | ||||
| Number: | 13 | ||||
| Number of Pages: | 4 | ||||
| Page Range: | pp. 1779-1782 | ||||
| Publication Status: | Published |
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