title: Local structure of liquid Ti: Ab initio molecular dynamics study.
abstract: Local order of liquid Ti is studied by ab initio molecular dynamics to address the unique liquid structure factor in experiments reported recently. The present study reveals that the local order of liquid Ti is in the form of fragments of the distorted icosahedral short range order, where the distortion is induced by strong bond order effects. We show that the fragments in the short-bond rich region separated from the background liquid account for the pronounced feature in structure factor of liquid Ti.
authors.affiliation: Lawrence Livermore National Laboratory, Livermore, California 94551, USA.
authors.forename: Byeongchan
authors.initials: B
authors.lastname: Lee
authors.forename: Geun Woo
authors.initials: GW
authors.lastname: Lee