Morphology of hydrocarbon films on decagonal Al-Ni-Co quasicrystalline surfaces

ORAL

Abstract

Lubricants can affect quasicrystalline coatings by modifying commensurability. We present simulation studies of physically adsorbed hydrocarbons on a decagonal surface of a Al-Ni-Co quasicrystal. We use the Grand Canonical Monte Carlo technique with novel embedded-atom-method potentials fitted to {\it ab initio} calculations and standard hydrocarbons interactions. Methane forms pentagonal structure, benzene monolayer adsorbs in hexagonal domains with 5 orientational degeneracies induced by the substrate, propane forms pentagonal domains with significant disorder, hexane and octane monolayers shows linear ordering. The results support the potential use of quasicrystals as low friction coatings.

*Research sponsored by ACS

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Authors

  • Wahyu Setyawan

    • Duke University, Department of Mechanical Engineering and Materials Science

  • Renee Diehl

    • Penn State University, Department of Physics
    • The Pennsylvania State University
    • Physics Department, Penn State University
    • Penn State University

  • Majid Karimi

    • IUP
    • Indiana Univeristy of PA

  • Stefano Curtarolo

    • Duke University
    • Duke University, Department of Mechanical Engineering and Materials Science and Department of Physics
    • Department of Mechanical Engineering and Materials Science and Department of Physics, Duke University - Durham NC 27708