title: Structural study of supercooled liquid transition metals.
abstract: Local structural models for supercooled liquid transition metals (Ti, Ni, and Zr) are proposed based on a reverse Monte Carlo analysis of high-energy x-ray diffraction data taken from the electrostatically levitated liquids. The resulting structures are characterized by their bond angle distributions, Honeycutt and Andersen indices [J. Phys. Chem. 91, 4950 (1987)], and bond orientational order parameters. All analyses suggest that an icosahedral short-range order is present in these supercooled liquids, but it is distorted in liquid Ti. These results are in agreement with the observed evolution of the high-q shoulder on the second peak in the structure factor S(q) and with an earlier analysis based on a local cluster model.
authors.affiliation: Department of Physics and the Center for Materials Innovation, Washington University, St. Louis, Missouri 63130, USA.
authors.forename: T H
authors.initials: TH
authors.lastname: Kim
authors.forename: K F
authors.initials: KF
authors.lastname: Kelton
mesh_terms: D016000:Cluster Analysis; D003080:Cold Temperature; D007700:Kinetics; D009010:Monte Carlo Method; D009532:Nickel / Q000737:chemistry; D055672:Static Electricity; D014025:Titanium / Q000737:chemistry; D028561:Transition Elements / Q000737:chemistry*; D014961:X-Ray Diffraction; D015040:Zirconium
chemical_list: D028561:Transition Elements; D009532:Nickel; D015040:Zirconium; D014025:Titanium