Atomistic simulation of frictional anisotropy on quasicrystal approximant surfaces

Journal Article · 23 June 2016 · Physical Review B

DOI: https://doi.org/10.1103/PhysRevB.93.235438 · OSTI ID:1326826

Ye, Zhijiang ^[1]; Martini, Ashlie ^[1]; Thiel, Patricia ^[2]; Lovelady, Heather H. ^[3]; McLaughlin, Keith ^[3]; Rabson, David A. ^[3]

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1. Univ. of California Merced, Merced, CA (United States). Dept. of Mechanical Engineering
2. Ames Lab. and Iowa State Univ., Ames, IA (United States). Dept. of Chemistry and Materials Science and Engineering
3. University of South Florida, Tampa, FL (United States). Dept. of Physics

J. Y. Park et al. [Science 309, 1354 (2005)] have reported eight times greater atomic-scale friction in the periodic than in the quasiperiodic direction on the twofold face of a decagonal Al-Ni-Co quasicrystal. Here we present results of molecular-dynamics simulations intended to elucidate mechanisms behind this giant frictional anisotropy. Simulations of a bare atomic-force-microscope tip on several model substrates and under a variety of conditions failed to reproduce experimental results. On the other hand, including the experimental passivation of the tip with chains of hexadecane thiol, we reproduce qualitatively the experimental anisotropy in friction, finding evidence for entrainment of the organic chains in surface furrows parallel to the periodic direction.

• Research Organization: Ames Laboratory (AMES), Ames, IA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)
• Grant/Contract Number: AC02-07CH11358; CHE 1531590; CMMI-1362565
• OSTI ID: 1326826
• Alternate ID(s): OSTI ID: 1259347
• Report Number(s): IS-J-9046; PRBMDO
• Journal Information: Physical Review B, Vol. 93, Issue 23; ISSN 2469-9950
• Publisher: American Physical Society (APS)Copyright Statement
• Country of Publication: United States
• Language: English