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Structures and topological transitions of hydrocarbon films on quasicrystalline surfaces.

Publication ,  Journal Article
Setyawan, W; Diehl, RD; Curtarolo, S
Published in: Physical review letters
February 2009

Lubricants can affect quasicrystalline coating surfaces by modifying the commensurability of the interfaces. We report results of the first computer simulation studies of physically adsorbed hydrocarbons on a quasicrystalline surface: methane, propane, and benzene on decagonal Al-Ni-Co. The grand canonical Monte Carlo method is employed, using novel embedded-atom method potentials generated from ab initio calculations, and standard hydrocarbon interactions. The resulting adsorption isotherms and calculated structures show the films' evolution from submonolayer to condensation. We discover the presence and absence of the fivefold to sixfold topological transition, for benzene and methane, respectively, in agreement with a previously formulated phenomenological rule based on adsorbate-substrate size mismatch.

Duke Scholars

Published In

Physical review letters

DOI

EISSN

1079-7114

ISSN

0031-9007

Publication Date

February 2009

Volume

102

Issue

5

Start / End Page

055501

Related Subject Headings

  • General Physics
  • 51 Physical sciences
  • 49 Mathematical sciences
  • 40 Engineering
  • 09 Engineering
  • 02 Physical Sciences
  • 01 Mathematical Sciences
 

Citation

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Setyawan, W., Diehl, R. D., & Curtarolo, S. (2009). Structures and topological transitions of hydrocarbon films on quasicrystalline surfaces. Physical Review Letters, 102(5), 055501. https://doi.org/10.1103/physrevlett.102.055501
Setyawan, Wahyu, Renee D. Diehl, and Stefano Curtarolo. “Structures and topological transitions of hydrocarbon films on quasicrystalline surfaces.Physical Review Letters 102, no. 5 (February 2009): 055501. https://doi.org/10.1103/physrevlett.102.055501.
Setyawan W, Diehl RD, Curtarolo S. Structures and topological transitions of hydrocarbon films on quasicrystalline surfaces. Physical review letters. 2009 Feb;102(5):055501.
Setyawan, Wahyu, et al. “Structures and topological transitions of hydrocarbon films on quasicrystalline surfaces.Physical Review Letters, vol. 102, no. 5, Feb. 2009, p. 055501. Epmc, doi:10.1103/physrevlett.102.055501.
Setyawan W, Diehl RD, Curtarolo S. Structures and topological transitions of hydrocarbon films on quasicrystalline surfaces. Physical review letters. 2009 Feb;102(5):055501.

Published In

Physical review letters

DOI

EISSN

1079-7114

ISSN

0031-9007

Publication Date

February 2009

Volume

102

Issue

5

Start / End Page

055501

Related Subject Headings

  • General Physics
  • 51 Physical sciences
  • 49 Mathematical sciences
  • 40 Engineering
  • 09 Engineering
  • 02 Physical Sciences
  • 01 Mathematical Sciences