UNSPECIFIED (1997) Ordering tendencies in alloys and their microscopic origins from a first-principles theory of concentration waves. In: TMS Annual Meeting, FEB 12-16, 1995, LAS VEGAS, NV.

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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)
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
Publisher:	ASM INTERNATIONAL
ISSN:	1054-9714
Date:	December 1997
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
URI:	http://wrap.warwick.ac.uk/id/eprint/16191

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