• Login
     
    View Item 
    •   ORFEO Home
    • Royal Meteorological Institute of Belgium
    • RMI publications
    • View Item
    •   ORFEO Home
    • Royal Meteorological Institute of Belgium
    • RMI publications
    • View Item
    JavaScript is disabled for your browser. Some features of this site may not work without it.

    "Influence of the shape and energy anisotropies on the phase diagram of discotic molecules""

    Authors
    Caprion, D.
    Bellier-Castella, L.
    Ryckaert, J.-P.
    Discipline
    Earth and related Environmental sciences
    Subject
    Monte Carlo
    gay-Berne
    Audience
    General Public
    Scientific
    Date
    2003
    Publisher
    IRM
    KMI
    RMI
    Metadata
    Show full item record
    Description
    We present Monte Carlo simulations of discotic molecules using the Gay-Berne potential with shape (κ) and energy (κ′) anisotropies. Following the previous work of Bates and Luckhurst [J. Chem. Phys. 104, 6696 (1996)] at κ=0.345, κ′=0.2 when we determine the sequence of different phases at the same reduced pressure P*=50, we find an additional phase at low temperatures corresponding to an orthorhombic crystalline phase and we characterize it. Keeping the shape anisotropy fixed at κ=0.2, we determine the evolution of the phase diagram with varying energy anisotropy. At high κ′, low anisotropy, the system is not able to build columns while at low κ′, the system exhibits both orthorhombic crystal as well as hexagonal liquid crystal phases over a wide range of pressures and temperatures. The domain of stability of the nematic phase is found to systematically shift towards higher pressures as κ′ decreases.
    Citation
    Caprion, D.; Bellier-Castella, L.; Ryckaert, J.-P. (2003). "Influence of the shape and energy anisotropies on the phase diagram of discotic molecules"". , Issue Phys. Rev. E 67, 041703, IRM,
    Identifiers
    uri: https://orfeo.belnet.be/handle/internal/9152
    Type
    Article
    Peer-Review
    Not pertinent
    Language
    eng
    Links
    NewsHelpdeskBELSPO OA Policy

    Browse

    All of ORFEOCommunities & CollectionsBy Issue DateAuthorsTitlesDisciplinesThis CollectionBy Issue DateAuthorsTitlesDisciplines
     

    DSpace software copyright © 2002-2016  DuraSpace
    Send Feedback | Cookie Information
    Theme by 
    Atmire NV