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Ordering tendencies in alloys and their microscopic origins from a first-principles theory of concentration waves
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UNSPECIFIED (1997) Ordering tendencies in alloys and their microscopic origins from a first-principles theory of concentration waves. In: TMS Annual Meeting, LAS VEGAS, NV, FEB 12-16, 1995. Published in: JOURNAL OF PHASE EQUILIBRIA, 18 (6). pp. 598-607. ISSN 1054-9714.
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Abstract
Compositional, displacement, and magnetic pair-correlation functions in alloys are measured directly by diffuse scattering techniques. A first-principles theory of short-range order in high-temperature, disordered alloys has been developed and implemented that determines these correlation functions from the underlying local-density-functional electronic structure. Features in diffuse scattering experiments may be directly related to their electronic origins. Such a capability is not only important for interpreting experimental results but for understanding the microscopic origin of the system-dependent short-range order. Example applications are discussed in the Cu-Ni-Zn and Cu-Pt alloys, with emphasis on the importance of van-Rove states (i.e., the electronic states that give rise to van Rove singularities in the density of states). As a contrast, the origins for the magnetic and chemical short-range order in paramagnetic Cu-rich, Cu-Mn alloys, which are considered prototypical spin-glass systems, are also briefly discussed.
Item Type: | Conference Item (UNSPECIFIED) | ||||
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Subjects: | Q Science > QD Chemistry T Technology > TA Engineering (General). Civil engineering (General) T Technology > TN Mining engineering. Metallurgy |
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Journal or Publication Title: | JOURNAL OF PHASE EQUILIBRIA | ||||
Publisher: | ASM INTERNATIONAL | ||||
ISSN: | 1054-9714 | ||||
Official Date: | December 1997 | ||||
Dates: |
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Volume: | 18 | ||||
Number: | 6 | ||||
Number of Pages: | 10 | ||||
Page Range: | pp. 598-607 | ||||
Publication Status: | Published | ||||
Title of Event: | TMS Annual Meeting | ||||
Location of Event: | LAS VEGAS, NV | ||||
Date(s) of Event: | FEB 12-16, 1995 |
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