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Long-Range Orientational Correlations At Undercooled Liquid Metal Surfaces

Author

Listed:
  • FRANCK CELESTINI

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

The liquid surface of a reconstructing metal such as Au or Pt is expected to exhibit a higher surface lateral density as compared to an equivalent slice of bulk liquid. Using a realistic potential and molecular dynamics, we have analyzed the surface behavior of liquid gold as a function of temperature. The density profile along the surface normal develops, as a consequence, marked layering oscillations, while surface atoms are forced to a nearly triangular lateral packing. The undercooled surface, in particular, reveals the onset of very long-range sixfold orientational correlation$\langle O^*_6 (r) O_6 (0) \rangle \sim \exp(- r/\xi_6)$. At the same time positional correlations do not vary appreciably. The growth ofξ6upon cooling is dramatic near 1000 K, and the liquid metal surface appears to approach a transition into a hexatic phase at about 940 K. This temperature is, however, inaccessible to simulation, due to surface-initiated recrystallization on the nanosecond time scale.

Suggested Citation

  • Franck Celestini & Furio Ercolessi & Erio Tosatti, 1997. "Long-Range Orientational Correlations At Undercooled Liquid Metal Surfaces," Surface Review and Letters (SRL), World Scientific Publishing Co. Pte. Ltd., vol. 4(05), pages 839-842.
    • Handle: RePEc:wsi:srlxxx:v:04:y:1997:i:05:n:s0218625x97000870
    DOI: 10.1142/S0218625X97000870
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