CTS-9815436 Shaoyi, Jiang Kansas State University
Advances in atomic force microscopy/friction force microscopy/surface apparatus (AFM/FFM/SFA) and molecular simulation have allowed one to investigate interfacial and surface problems with high resolution and measure nano-scale forces [1, 2, 3]. However, the interpretation of AFM/FFM results is sometimes difficult due to a lack of understanding of the fundamental processes involved in these techniques. Molecular simulation should be able to play a key role in guiding the interpretation of experimental data and design of new experiments, providing insights into atomic-scale interactions in AFM/FFM systems, and enabling the prediction of new phenomena not accessible to current laboratory experiments. At present, however, there is no direct comparison between molecular simulations and AFM/FFM data because few quantitative AFM/FFM data are available and few simulations have been carried out under experimental conditions. Significant progress in the area of molecular approaches to dynamic interfaces (the PI's major research interests) can be expected after this gap between theory and experiment is bridged).
The proposed work will provide the first rigorous comparison between accurate molecular simulation and quantitative AFM/FFM data. Due to their research values and potential applications, self-assembled monolayers (SAMS) will be our model systems and lateral (friction) vs. normal force curve and AFM images of thin films on surfaces will be properties for comparison. The purpose is not simply to reproduce the specific properties, but rather to show the feasibility of correlating simulations to experiments quantitatively and of interpreting AFM/FFM experimental results using molecular simulations. The success of this work will greatly accelerate the PI's research in this emerging field, advance our understanding of the nature of interactions at interfaces in AFM/FFM systems, establish the PI's reputation, and attract external funding both government and industry.
