Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 129, Issue 2, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.2953458
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Funding
- Ministry of Education, Science & Technology (MoST), Republic of Korea [K08003] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
- National Research Foundation of Korea [핵06A1102] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
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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. (C) 2008 American Institute of Physics.
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