Density Measurement and Atomic Structure Simulation of Metastable Liquid Ti-Ni Alloys

P. F. Zou, H. P. Wang, S. J. Yang, L. Hu, B. Wei

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21 Scopus citations

Abstract

The temperature dependence of the densities of liquid Ti-Ni alloys was investigated by the electrostatic levitation technique and molecular dynamics simulation. The average cooling rate by natural radiation decreases with a reduction in Ti content and reaches its minimum at Ti55Ni45 alloy. The Ti-Ni alloy system exhibits a negative excess volume and it becomes smaller with the increase in undercooling. This indicates that the interactions among atoms are enhanced with the decrease in temperature. The pair correlation functions and static structure factors are obtained from the molecular dynamics results. It is found that the packing of the Ni atoms does not occur through replacement of the Ti atoms with the addition of Ni atoms. In addition, the clusters are abundant in liquid Ti-Ni alloys, and a tetragonal bipyramid atomic configuration of may exist. It is found that the Ni-Ni bonds transform to Ti-Ni bonds with the increase in Ni content.

Original languageEnglish
Pages (from-to)5488-5496
Number of pages9
JournalMetallurgical and Materials Transactions A: Physical Metallurgy and Materials Science
Volume49
Issue number11
DOIs
StatePublished - 1 Nov 2018

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