Molecular Tailoring of Interfacial Fracture

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The research objective of this grant is to establish fundamental relationships between molecular scale surface modification and macroscale interfacial adhesion and fracture. The research program will emphasize the development of integrated, multiscale experimental and numerical tools to characterize, model, and ultimately expand understanding of how self-assembled monolayers (SAMs) can be exploited to control mechanisms of interfacial failure, with emphasis on the high strain rate regime at which experimental conditions and molecular-level models can be directly related. The experimental assessment of the strength and toughness of the SAM-mediated interfaces will be achieved through advances in high strain rate, laser-induced dynamic delamination methods. To support the experiments and provide insight on the interfacial failure processes, advanced modeling tools combining molecular dynamics models and a continuum-level multiscale cohesive framework will be developed, validated, and applied. The novel integration of MD and continuum-level cohesive models of delamination will deliver important insights on the molecular tailoring of adhesion properties in delamination events.The research project will have significant educational and technological impact. SAMs are increasingly used in a wide range of technological applications, including lubricants in MEMS, diffusion barriers in microelectronics, adhesion promotion, and for control of heat transport across interfaces. Assessing and predicting the adhesion properties of SAMs are critical for successful performance in these and future applications. This research project will provide training for two graduate students and one summer undergraduate research student, who will benefit from a truly multidisciplinary education in materials science, solid mechanics, and chemistry and will have the opportunity to participate in outreach activities.