The development and applications of zirconium alloys
Abstract
Beginning with a brief historical review of the evolution of zirconium alloys, this paper goes on to describe the common terms used in the description of zirconium and its alloys and the specifications for industrial and nuclear service. Principal applications for zirconium alloys are in the nuclear and chemical process industries (CPI). Zirconium is also used in photo-flash applications and as a getter for oxygen and other gases. The development of high strength zirconium alloys is described with particular reference to nuclear applications.
References (20)
- C. Tyzack et al.
Journal of Nuclear Materials
(1977) - D.O. Northwood et al.
Metallography
(1980) - J.H. Schemel
ASTM Manual on Zirconium and Hafnium
- D.O. Northwood et al.
Canadian Metallurgical Quarterly
(1980) - D.O. Northwood et al.
Correlation of Microstructure and Corrosion Performance of Zr-1.15wt%Cr-0.1wt%Fe in Water and Steam
- Robert W. Cahn
Nature
(1978) - E.M. Schulson
A Short Review of The Physical Metallurgy of Ordered Zr3Al:Science & Engineering
Datasheet
Teledyne Wah Chang Albany, Metal Progress
(1978)- Astro Metallurgical Corporation
Corrosion Resistance Chart for Titanium, Zirconium, Tantalum
Zirconium Heat Exchanger — A New Direction for Pickling Operations
Iron and Steel Engineer
(1975)
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