Local structure of liquid Ti: Ab initio molecular dynamics study.

  • Lee B
  • Lee G
  • 8


    Mendeley users who have this article in their library.
  • N/A


    Citations of this article.


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.

Get free article suggestions today

Mendeley saves you time finding and organizing research

Sign up here
Already have an account ?Sign in

Find this document


  • Byeongchan Lee

  • Geun Woo Lee

Cite this document

Choose a citation style from the tabs below

Save time finding and organizing research with Mendeley

Sign up for free