Abstract
In this study, a defect-free, self-assembled monolayer of octadecyltrichlorosilane (OTS) was deposited on a silicon substrate. Nanoindentation experiments were performed with an interfacial force microscope (IFM) on these 2.5 nm monolayers. As a first step in continuum finite element analyses, the OTS was assumed to be linearly elastic and isotropic. Adhesive interactions were also accounted for via a cohesive zone model. However, the assumption of linearity gave rise to force profiles that did not match the measurements. Molecular dynamics simulations were therefore employed in order to provide further insight into the behavior of OTS. These simulations indicated that the OTS had a highly non-linear and nearly incompressible response. Based on these results, a hypo-elastic material model was developed as a convenient continuum representation of the mechanical behavior of OTS. This was then used in finite element analyses, which were able to fully reproduce the IFM force profiles. As a result, molecular and microscopic scales were linked in a relatively simple but very effective manner. This suggests that there is a class of problems where the continuum representation of the material behavior may be directly obtained from molecular analyses.
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Wang, M., Liechti, K.M., Srinivasan, V., White, J.M., Rossky, P.J. (2005). Nano Mechanical Analysis of IFM Force Profiles on Self-Assembled Monolayers. In: Gutkowski, W., Kowalewski, T.A. (eds) Mechanics of the 21st Century. Springer, Dordrecht. https://doi.org/10.1007/1-4020-3559-4_14
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DOI: https://doi.org/10.1007/1-4020-3559-4_14
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