IDEAS home Printed from https://ideas.repec.org/a/spr/eurphb/v45y2005i4p547-554.html
   My bibliography  Save this article

Melting evolution and diffusion behavior of vanadium nanoparticles

Author

Listed:
  • Wangyu Hu
  • Shifang Xiao
  • Jianyu Yang
  • Zhi Zhang

Abstract

Molecular dynamics calculations have been performed to study the melting evolution, atomic diffusion and vibrational behavior of bcc metal vanadium nanoparticles with the number of atoms ranging from 537 to 28475 (diameters around 2–9 nm). The interactions between atoms are described using an analytic embedded-atom method. The obtained results reveal that the melting temperatures of nanoparticles are inversely proportional to the reciprocal of the nanoparticle size, and are in good agreement with the predictions of the thermodynamic liquid-drop model. The melting process can be described as occurring in two stages, firstly the stepwise premelting of the surface layer with a thickness of 2–3 times the perfect lattice constant, and then the abrupt overall melting of the whole cluster. The heats of fusion of nanoparticles are also inversely proportional to the reciprocal of the nanoparticle size. The diffusion is mainly localized to the surface layer at low temperatures and increases with the reduction of nanoparticle size, with the temperature being held constant. The radial mean square vibration amplitude (RMSVA) is developed to study the anharmonic effect on surface shells. Copyright EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2005

Suggested Citation

  • Wangyu Hu & Shifang Xiao & Jianyu Yang & Zhi Zhang, 2005. "Melting evolution and diffusion behavior of vanadium nanoparticles," The European Physical Journal B: Condensed Matter and Complex Systems, Springer;EDP Sciences, vol. 45(4), pages 547-554, June.
    • Handle: RePEc:spr:eurphb:v:45:y:2005:i:4:p:547-554
    DOI: 10.1140/epjb/e2005-00210-8
    as

    Download full text from publisher

    File URL: http://hdl.handle.net/10.1140/epjb/e2005-00210-8
    Download Restriction: Access to full text is restricted to subscribers.
    File URL: https://libkey.io/10.1140/epjb/e2005-00210-8?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    As the access to this document is restricted, you may want to search for a different version of it.

    More about this item

    Statistics

    Access and download statistics

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:spr:eurphb:v:45:y:2005:i:4:p:547-554. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    We have no bibliographic references for this item. You can help adding them by using this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Sonal Shukla or Springer Nature Abstracting and Indexing (email available below). General contact details of provider: http://www.springer.com .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.