Grant: Discovery Grants Program - Individual

Adhesion in soft matter is crucial to many phenomena in life science and to numerous engineering applications. As examples, certain polymers can bind with nucleic acids or drug molecules to form nanoparticles. These nanoparticles can enhance the transportation of therapeutic molecules to target sites, providing a tool for drug delivery and gene therapy. Controlled adhesion of molecules into ordered structures has motivated “bottom-up” approach in nanotechnology, leading to the creation of assemblies that can serve as electronic or optical devices. Fundamentally, adhesion is rooted in the attractive interactions between molecules. On the other hand, generation of many functional materials requires scale-up of molecular adhesion to meso- or macroscopic levels. Advancing the development of these novel materials therefore requires investigation on the collective behaviors of molecules that render macroscopic functions.Despite past successes in creating new materials based on molecular adhesion, experimental development of such materials is still largely on a trial-and-error basis, lacking a systematic design approach. In this program, we plan to use computer modeling as a main tool to study fundamental interactions contributing to adhesion in soft materials and the utilization of such adhesion in engineering applications. The long-term goal is to achieve systematic design and engineering of high performance soft materials with desired bulk and interfacial properties. In the short term, studies will be conducted through four representative systems that involve soft synthetic polymers. Through these investigations, we plan to develop scale-bridging models that describe meso- and macroscopic adhesion from microscopic interactions, and use the developed models to propose design principles that help improve material performance in these specific applications. This program is built on our rich experience and strong expertise in materials modeling, across very different scales. In particular, our research on molecular-level adhesion supported by my previous DG funding has laid a solid foundation for the work proposed here.Advanced materials are essential to applications in many areas important to economic growth and human well being, including nanotechnology, pharmaceutical science, biomedical engineering, electronic industry, among others. In silico design via computer modeling is an effective way to expedite the creation of new materials. The proposed program aims at linking microscopic interactions to macroscopic adhesive properties of materials, and proposing ways to modulate material behavior by molecular-level engineering. The research outcomes will not only elevate Canada's research profile in materials science, but also help Canadian companies in the design and synthesis of novel functional materials, improving their competence in the global market.