DOI: 10.1063/1.1318223. Atomic indentation and friction of self-assembled monolayers by hybrid molecular simulations

Atomic indentation and friction of self-assembled monolayers by hybrid molecular simulations

10.1063/1.1318223

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

This paper focuses on the atomic indentation and friction properties of self-assembled monolayers (SAMs) by a novel hybrid molecular simulation approach. By introducing a sliding dynamics for the tip-cantilever assembly in atomic force microscopy (AFM) and a fast molecular dynamics relaxation algorithm for SAMs, we simulate the scanning process of the assembly over SAMs in the time scale of AFM experiments. For the atomic indentation of SAM surfaces, we find that elastic modulus is chain-length independent, and has a value of 20±10 GPa. However, under shear, effective shear modulus is found to be chain-length dependent, which explains the SAM chain-length dependence of friction observed in AFM experiments. The calculated surface energy of methyl terminated SAMs is consistent with many experimental results.

Bibliography

Leng, Y., & Jiang, S. (2000). Atomic indentation and friction of self-assembled monolayers by hybrid molecular simulations. The Journal of Chemical Physics, 113(19), 8800â8806.

Authors 2

Yongsheng Leng (first)
Shaoyi Jiang (additional)

References 43 Referenced 58

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Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 8:41 a.m.)
Deposited	2 years, 1 month ago (July 28, 2023, 9:20 p.m.)
Indexed	1 year, 6 months ago (Feb. 10, 2024, 11:47 a.m.)
Issued	24 years, 9 months ago (Nov. 15, 2000)
Published	24 years, 9 months ago (Nov. 15, 2000)
Published Print	24 years, 9 months ago (Nov. 15, 2000)

Funders 0

None

BibTeX

@article{Leng_2000, title={Atomic indentation and friction of self-assembled monolayers by hybrid molecular simulations}, volume={113}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1318223}, DOI={10.1063/1.1318223}, number={19}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Leng, Yongsheng and Jiang, Shaoyi}, year={2000}, month=nov, pages={8800–8806} }

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