IDEAS home Printed from https://ideas.repec.org/a/spr/eurphb/v92y2019i6d10.1140_epjb_e2019-100021-6.html
   My bibliography  Save this article

Structure and dynamical heterogeneity in GeO2 liquid: a new approach

Author

Listed:
  • Mai Thi Lan

    (School of Engineering Physics, Hanoi University of Science and Technology)

  • Nguyen Thi Thanh Ha

    (School of Engineering Physics, Hanoi University of Science and Technology)

  • Nguyen Van Hong

    (School of Engineering Physics, Hanoi University of Science and Technology)

  • Pham Khac Hung

    (School of Engineering Physics, Hanoi University of Science and Technology)

Abstract

We used molecular dynamics (MD) simulation to clarify the structure and dynamics in GeO2 liquid. MD models consisting of 5499 atoms were constructed in the range of temperature from 2000 K to 4500 K and at ambient pressure. The structure of GeO2 liquid is built mainly by GeO4 basic structural units that are linked to each other through common oxygen atoms to form a tetrahedral network. The dynamic heterogeneity (DH) is investigated by calculating the link-cluster function flc(r, t) and init-bond function fib(t). The link-cluster function for sets of random, mobile and immobile atoms at low temperature is different. This is evidence of DH in GeO2 liquid. Diffusion mechanism in GeO2 liquid is via bond-breaking mechanism that relates to the init-bond function. The bond breaking and new bond forming in GeO2 liquid are realized via exchange of coordinated atoms. The existence of separate fast regions (places of the high mobility atoms) and slow regions (places of the low mobility atoms) is the origin of DH. Graphical abstract

Suggested Citation

  • Mai Thi Lan & Nguyen Thi Thanh Ha & Nguyen Van Hong & Pham Khac Hung, 2019. "Structure and dynamical heterogeneity in GeO2 liquid: a new approach," The European Physical Journal B: Condensed Matter and Complex Systems, Springer;EDP Sciences, vol. 92(6), pages 1-7, June.
    • Handle: RePEc:spr:eurphb:v:92:y:2019:i:6:d:10.1140_epjb_e2019-100021-6
    DOI: 10.1140/epjb/e2019-100021-6
    as

    Download full text from publisher

    File URL: http://link.springer.com/10.1140/epjb/e2019-100021-6
    File Function: Abstract
    Download Restriction: Access to the full text of the articles in this series is restricted.
    File URL: https://libkey.io/10.1140/epjb/e2019-100021-6?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

    Keywords

    Solid State and Materials;

    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:92:y:2019:i:6:d:10.1140_epjb_e2019-100021-6. 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.