Ordering tendencies in alloys and their microscopic origins from a first-principles theory of concentration waves
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.Full text not available from this repository.
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)|
|Subjects:||Q Science > QD Chemistry
T Technology > TA Engineering (General). Civil engineering (General)
T Technology > TN Mining engineering. Metallurgy
|Journal or Publication Title:||JOURNAL OF PHASE EQUILIBRIA|
|Official Date:||December 1997|
|Number of Pages:||10|
|Page Range:||pp. 598-607|
|Title of Event:||TMS Annual Meeting|
|Location of Event:||LAS VEGAS, NV|
|Date(s) of Event:||FEB 12-16, 1995|
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