Chinese Science Bulletin

, Volume 57, Issue 7, pp 719–723 | Cite as

Density and structure of undercooled liquid titanium

  • HaiPeng Wang
  • ShangJing Yang
  • BingBo WeiEmail author
Open Access
Article Condensed Matter Physics


For liquid Ti, it is difficult to achieve high undercooling because of its chemical reactivity; as a result, there is little information available on its properties and structure in the undercooled state. In this study, we investigate the density and structure, using molecular dynamics method, for the undercooling and superheating ranges 0–743 K and 0–457 K. The density increases quadratically for undercooling. At the melting temperature, the density is 4.14 g/cm3, and first and second temperature coefficients are obtained. The pair correlation functions and coordination numbers indicate that the short range degree of order becomes increasingly significant with increasing undercooling.


liquid metal undercooling density liquid structure titanium 


  1. 1.
    Shen Y T, Kim T H, Gangopadhyay A K, et al. Icosahedral order, frustration, and the glass transition: Evidence from time-dependent nucleation and supercooled liquid structure studies. Phys Rev Lett, 2009, 102: 057801CrossRefGoogle Scholar
  2. 2.
    Pietropaolo A, Senesi R, Andreani C, et al. Excess of proton mean kinetic energy in supercooled water. Phys Rev Lett, 2008, 100: 127802CrossRefGoogle Scholar
  3. 3.
    Ganesh P, Widom M. Liquid-liquid transition in supercooled silicon determined by first-principles simulation. Phys Rev Lett, 2009, 102: 075701CrossRefGoogle Scholar
  4. 4.
    Luo B C, Wang H P, Wei B. Phase field simulation of monotectic transformation for liquid Ni-Cu-Pb alloys. Chin Sci Bull, 2009, 54: 183–188CrossRefGoogle Scholar
  5. 5.
    Hong Z Y, Lu Y J, Xie W J, et al. The liquid phase separation of Bi-Ga hypermonotectic alloy under acoustic levitation condition. Chin Sci Bull, 2007, 52: 1446–1450CrossRefGoogle Scholar
  6. 6.
    Wang H P, Chang J, Wei B. Measurement and calculation of surface tension for undercooled liquid nickel and its alloy. J Appl Phys, 2009, 106: 033506CrossRefGoogle Scholar
  7. 7.
    Paradis P F, Rhim W K. Non-contact measurements of thermophysical properties of titanium at high temperature. J Chem Thermodyn, 2000, 32: 123–133CrossRefGoogle Scholar
  8. 8.
    Paradis P F, Ishikawa T, Yoda S. Experiments in materials science on the ground and in reduced gravity using electrostatic levitators. Adv Space Res, 2008, 41: 2118–2125CrossRefGoogle Scholar
  9. 9.
    Ishikawa T, Paradis P F. Thermophysical properties of molten refractory metals measured by an electrostatic levitator. J Electron Mater, 2005, 34: 1526–1532CrossRefGoogle Scholar
  10. 10.
    Kordel T, Holland-Moritz D, Yang F, et al. Neutron scattering experiments on liquid droplets using electrostatic levitation. Phys Rev B, 2011, 83: 104205CrossRefGoogle Scholar
  11. 11.
    Kalay I, Kramer M J, Napolitano R E. High-accuracy X-ray diffraction analysis of phase evolution sequence during devitrification of Cu50Zr50 metallic glass. Metall Mater Trans A, 2011, 42A: 1144–1153CrossRefGoogle Scholar
  12. 12.
    Higuchi K, Kimura K, Mizuno A, et al. Density and structure of undercooled molten silicon using synchrotron radiation combined with an electromagnetic levitation technique. J Non-Cryst Solids, 2007, 353: 2997–2999CrossRefGoogle Scholar
  13. 13.
    Kim T H, Lee G W, Sieve B, et al. In situ high-energy X-ray diffraction study of the local structure of supercooled liquid Si. Phys Rev Lett, 2005, 95: 085501CrossRefGoogle Scholar
  14. 14.
    Lee G W, Gangopadhyay A K, Kelton K F, et al. Difference in icosahedral short-range order in early and late transition metal liquids. Phys Rev Lett, 2004, 93: 037802CrossRefGoogle Scholar
  15. 15.
    Holland-Moritz D, Heinen O, Bellissent R, et al. Short-range order of stable and undercooled liquid titanium. Mater Sci Eng A, 2007, 449: 42–45CrossRefGoogle Scholar
  16. 16.
    Jakse N, Pasturel A. Dynamics of liquid and undercooled silicon: An ab initio molecular dynamics study. Phys Rev B, 2009, 79: 144206CrossRefGoogle Scholar
  17. 17.
    Gheribi A E. Molecular dynamics study of stable and undercooled liquid zirconium based on MEAM interatomic potential. Mater Chem Phys, 2009, 116: 489–496CrossRefGoogle Scholar
  18. 18.
    Morishita T. How does tetrahedral structure grow in liquid silicon upon supercooling. Phys Rev Lett, 2006, 97: 165502CrossRefGoogle Scholar
  19. 19.
    Wang H P, Chang J, Wei B. Density and related thermophysical properties of metastable liquid Ni-Cu-Fe ternary alloys. Phys Lett A, 2010, 374: 2489–2493CrossRefGoogle Scholar
  20. 20.
    Baskes M I. Modified embedded-atom potentials for cubic materials and impurities. Phys Rev B, 1992, 46: 2727–2742CrossRefGoogle Scholar
  21. 21.
    Zhang J M, Wang D D, Xu K W. Calculation of the surface energy of hcp metals by using the modified embedded atom method. Appl Surf Sci, 2006, 253: 2018–2024CrossRefGoogle Scholar
  22. 22.
    Kim Y M, Lee B J, Baskes M I. Modified embedded-atom method interatomic potentials for Ti and Zr. Phys Rev B, 2006, 74: 014101CrossRefGoogle Scholar
  23. 23.
    Gale W F, Totemeier T C. Smithells’ Metals Reference Book. 8th ed. Burlington: Elsevier Butterworth Heinemann, 2004. 14–10Google Scholar

Copyright information

© The Author(s) 2012

Open Access This article is distributed under the terms of the Creative Commons Attribution License which permits any use, distribution and reproduction in any medium, provided the original author(s) and source are credited.

Authors and Affiliations

  1. 1.Department of Applied PhysicsNorthwestern Polytechnical UniversityXi’anChina

Personalised recommendations