IDEAS home Printed from https://ideas.repec.org/a/wsi/srlxxx/v04y1997i05ns0218625x97000882.html
   My bibliography  Save this article

Preroughening, And Disordered Flat Phase Separation In Surface Molecular Dynamics Simulations

Author

Listed:
  • SANTI PRESTIPINO

    (International School for Advanced Studies (SISSA-ISAS), I-34014 Trieste, Italy;
    Istituto Nazionale di Fisica della Materia (INFM), Italy)

  • C. S. JAYANTHI

    (Department of Physics, University of Louisville, Louisville, KY 40292, USA;
    International Centre for Theoretical Physics (ICTP), I-34014 Trieste, Italy)

  • FURIO ERCOLESSI

    (International School for Advanced Studies (SISSA-ISAS), I-34014 Trieste, Italy;
    Istituto Nazionale di Fisica della Materia (INFM), Italy)

  • ERIO TOSATTI

    (International School for Advanced Studies (SISSA-ISAS), I-34014 Trieste, Italy;
    Istituto Nazionale di Fisica della Materia (INFM), Italy;
    International Centre for Theoretical Physics (ICTP), I-34014 Trieste, Italy)

Abstract

Ordinary molecular dynamics surface simulations are particle-conserving. We have found that, while this restriction may be adequate for a majority of situations, there exists for most surfaces a range of temperatures where that is not the case. The critical temperature range is between preroughening and roughening. There, the surface equilibrium state is disordered and flat (DOF), implying a state of roughly half-filling for the outermost surface layer. A particle-conserving simulation, based initially on a well-defined, usually integer, number of crystalline layers, must phase-separate into two half-layered domains. We discuss evidence, indicating that this kind of phase separation is actually taking place in existing simulations.

Suggested Citation

  • Santi Prestipino & C. S. Jayanthi & Furio Ercolessi & Erio Tosatti, 1997. "Preroughening, And Disordered Flat Phase Separation In Surface Molecular Dynamics Simulations," Surface Review and Letters (SRL), World Scientific Publishing Co. Pte. Ltd., vol. 4(05), pages 843-846.
    • Handle: RePEc:wsi:srlxxx:v:04:y:1997:i:05:n:s0218625x97000882
    DOI: 10.1142/S0218625X97000882
    as

    Download full text from publisher

    File URL: http://www.worldscientific.com/doi/abs/10.1142/S0218625X97000882
    Download Restriction: Access to full text is restricted to subscribers
    File URL: https://libkey.io/10.1142/S0218625X97000882?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:wsi:srlxxx:v:04:y:1997:i:05:n:s0218625x97000882. 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: Tai Tone Lim (email available below). General contact details of provider: http://www.worldscinet.com/srl/srl.shtml .

    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.