Nanoindentation experiments were performed on a defect-free, molecular self-assembled monolayer of octadecyltrichlorosilane (OTS) on silicon using an interfacial force microscope (IFM). The IFM provided repeatable and elastic force profiles corresponding to the adhesive and compressive response of these thick monolayers. As a first step in the analysis of the force profiles, the OTS was assumed to be linearly elastic and isotropic, and adhesive interactions were accounted for via a cohesive zone model. However, the assumption of linearity gave rise to force profiles that did not match the measurements. As a result, the mechanical behavior of the OTS was extracted from molecular-dynamics simulations and represented as a hypoelastic material, which, when used in finite element analyses of the IFM experiments, was able to fully reproduce the force profiles. This suggests that the continuum representation of the mechanical and adhesive behavior of self-assembled monolayers may be directly obtained from molecular analyses.
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September 2006
Technical Papers
A Hybrid Continuum-Molecular Analysis of Interfacial Force Microscope Experiments on a Self-Assembled Monolayer
Mingji Wang,
Mingji Wang
Center for the Mechanics of Solids, Structures and Materials,
Department of Aerospace Engineering and Engineering Mechanics
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Kenneth M. Liechti,
Kenneth M. Liechti
Center for the Mechanics of Solids, Structures and Materials,
Department of Aerospace Engineering and Engineering Mechanics
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Vibha Srinivasan,
Vibha Srinivasan
Institute for Theoretical Chemistry
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John M. White,
John M. White
Center for Nanomolecular Science and Technology
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Peter J. Rossky,
Peter J. Rossky
Institute for Theoretical Chemistry,
The University of Texas
, Austin, TX 78712
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Matthew T. Stone
Matthew T. Stone
Exxon Mobil Upstream Research Company
, Houston, TX 77252-2189
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Mingji Wang
Center for the Mechanics of Solids, Structures and Materials,
Department of Aerospace Engineering and Engineering Mechanics
Kenneth M. Liechti
Center for the Mechanics of Solids, Structures and Materials,
Department of Aerospace Engineering and Engineering Mechanics
Vibha Srinivasan
Institute for Theoretical Chemistry
John M. White
Center for Nanomolecular Science and Technology
Peter J. Rossky
Institute for Theoretical Chemistry,
The University of Texas
, Austin, TX 78712
Matthew T. Stone
Exxon Mobil Upstream Research Company
, Houston, TX 77252-2189J. Appl. Mech. Sep 2006, 73(5): 769-777 (9 pages)
Published Online: November 24, 2004
Article history
Received:
May 24, 2004
Revised:
November 24, 2004
Citation
Wang, M., Liechti, K. M., Srinivasan, V., White, J. M., Rossky, P. J., and Stone, M. T. (November 24, 2004). "A Hybrid Continuum-Molecular Analysis of Interfacial Force Microscope Experiments on a Self-Assembled Monolayer." ASME. J. Appl. Mech. September 2006; 73(5): 769–777. https://doi.org/10.1115/1.1943435
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