Thermal equations of state of the {alpha}, {beta}, and {omega} phases of zirconium

• Published in: Physical review. B, Condensed matter and materials physics Condensed matter and materials physics, 2005-05, Vol.71 (18)
• Main Authors: Zhao Yusheng, Zhang Jianzhong, Pantea, Cristian, Qian Jiang, Daemen, Luke L., Rigg, Paulo A., Hixson, Robert S., Gray, George T. III, Yang Yunpeng, Wang Liping, Wang Yanbin, Uchida, Takeyuki, DX and MST Divisions, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, Mineral Physics Institute, State University of New York, Stony Brook, New York 11794, GESCARS/APS, Argonne National Laboratory and University of Chicago, Illinois
• Format: Article
• Language: English
• Subjects: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; CRYSTAL STRUCTURE; EQUATIONS OF STATE; PRESSURE DEPENDENCE; PRESSURE RANGE GIGA PA; THERMAL EXPANSION; THERMOELASTICITY; X-RAY DIFFRACTION; ZIRCONIUM-ALPHA
• ISSN: 1098-0121; 1550-235X
• DOI: 10.1103/PhysRevB.71.184119

We have conducted synchrotron x-ray diffraction studies on high purity zirconium metal at pressures (P) up to 17 GPa and temperatures (T) up to 973 K. Unit cell volumes (V) were derived from the refinements of x-ray diffraction data for the {alpha}, {beta}, and {omega} phases of zirconium and fitted to a Birch-Murnaghan equation of state with the pressure derivative of the bulk modulus, K{sub 0}{sup '}, fixed at 4.0. The derived thermoelastic parameters for {alpha} zirconium are isothermal bulk modulus K{sub 0}=92(3) GPa, temperature derivative of bulk modulus ({partial_derivative}K/{partial_derivative}T){sub P}=-2.3(8)x10{sup -2} GPa/K, volumetric thermal expansivity {alpha}{sub T}=a+bT with a=1.5({+-}0.8)x10{sup -5} K{sup -1} and b=1.7({+-}1.4)x10{sup -8} K{sup -2}, and the pressure derivative of thermal expansion ({partial_derivative}{alpha}/{partial_derivative}P){sub T}=-2.7(9)x10{sup -6} GPa{sup -1} K{sup -1}. For the {beta} phase we obtained an isothermal bulk modulus of K{sub T}=66(3) GPa at 973 K and a unit-cell volume of V(973 K)=47.7(3) A{sup 3} at ambient pressure. For the {omega} zirconium we obtained K{sub 0}=90(5) GPa. Within the experimental errors, the K{sub 0} values we determined for the {alpha} and {omega} phases and volumetric thermal expansion for the {alpha} phase are in agreement with previous experimental results, whereas all other thermoelastic parameters represent the first determinations for the three crystalline phases of zirconium metal.