Characteristics of zirconium hydride and deuteride

• Published in: Journal of alloys and compounds Vol. 330; pp. 99 - 104
• Main Authors: Yamanaka, Shinsuke, Yamada, Kazuriho, Kurosaki, Ken, Uno, Masayoshi, Takeda, Kiyoko, Anada, Hiroyuki, Matsuda, Tetsushi, Kobayashi, Shinichi
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01.01.2002
• Subjects: Elastic modulus; Electrical resistivity; Hardness; Heat capacity; Isotope effect; Lattice constant; Molecular orbital method; Thermal conductivity; XPS; Zirconium deuteride; Zirconium hydride; Elastic modulus; Lattice constant; Isotope effect; Molecular orbital method; Electrical resistivity; Zirconium hydride; Zirconium deuteride; Heat capacity; Thermal conductivity; XPS; Hardness
• ISSN: 0925-8388; 1873-4669
• DOI: 10.1016/S0925-8388(01)01448-7

The electrical and thermal properties of zirconium hydride and deuteride have been measured. The lattice parameter of δZrD 2− x was smaller than that of δZrH 2− x , and the deuteride had higher elastic moduli than the hydride. The electrical and thermal conductivities of δZrH 2− x were slightly different from pure Zr metal. The electronic structure of the zirconium hydride was found from XPS measurements to differ from those in the pure Zr metal, and there was a peak due to the Zr–H bond at 6.4 eV below Fermi energy in the XPS spectra. The density of states was estimated by a molecular orbital calculation, and the agreement between the XPS valence band measurements and the calculations was quite satisfactory. Some of the mechanical and thermal properties of zirconium hydride and deuteride were interpreted in terms of the results of the molecular orbital calculation.