Grant: Discovery Launch Supplement

I work in applied physics with a strong grounding in neutron and X-ray scattering (NS and XS) techniques and molecular dynamics simulations (MD) investigating both structure and dynamics on a nanoscale. However, a lack of sophisticated software and oversimplified models can limit the interpretation of neutron and X-ray scattering data. By interpreting scattering data using computational simulations such as molecular dynamics, which probes the same time and length scales, I can make a direct comparison between simulations and experiments. This way, I can build reliable models that can interpret the data, and likewise, the experimental data can validate the computational models. On the other hand, Neutron and X-ray imaging (NI and XI) examines transmission rather than scattering and can provide both 2D and 3D visualizations of structure on a macro scale. The image from the attenuation of the sample is relatively fast and allows for continuous collection over time and can therefore also be used to probe the dynamics on a macroscale. The focus of the neutron, X-ray, and MD application is on biomass on both a macro scale looking at the whole plant, and on a nanoscale looking at the components of the plants. I seek to convert renewable, non-fossil-based plant biomass to biofuels and bioproducts, which are essential for energy sustainability and reducing greenhouse gas emissions. Both NS, XS, and MD are extremely powerful tools for understanding the fundamental molecular processes that drive biomass deconstruction, while NI and XI can provide direct information on plants under different conditions. NI furthermore extends to understanding the dynamics of e.g. water on a macroscopic scale in plants. The ability of neutrons to distinguish lighter elements makes NS and NI well-suited to study both water and biomass. Finally, combining the macroscopic with nanoscopic structural and dynamics from the same plant will add a new layer of understanding. The long-term objective of my research program focuses on applying scattering techniques and supporting techniques to understand the structure and dynamics of soft condensed matter, while with the short-term objectives, I focus on biomass. The scientific impact of the long-term objective of this proposal is in excellent agreement with the purpose and initiatives of the Sylvia Fedoruk Centre, where I hold the "Fedoruk Chair in Neutron Imaging". Furthermore, the streamlining of macroscopic behavior with nanoscopic behavior and the combination of scattering and molecular dynamics will be of great interest to the larger Canadian neutron and X-ray community as well as the MD community looking to validate their models. Additionally, the scientific impact of the long-term objective of this proposal is in agreement with the initiative to develop a strategy to rebuild Canadian capacity for materials research with neutron beams.