MRI: Acquisition of an Automated X-Ray Scattering Instrument for in situ Multiscale Studies

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The development of cutting-edge nanostructured materials for applications like smart surfaces, batteries, and synthetic tissues requires highly interdisciplinary teams as well as tools that can characterize materials across scales. Advanced functional materials have the potential to drive advances in sensing (for uses such as environmental monitoring, disease diagnosis and advanced manufacturing), energy storage for enhanced energy sustainability and robotics (with applications ranging from providing support to amputees and stroke victims to disaster response). The behavior of materials that have nanostructural features from Angstroms to hundreds of nanometers in size must be measured under realistic conditions to characterize their structural properties during use. This Major Research Instrumentation (MRI) award will support the acquisition of a Small to Wide Angle X-ray Scattering (SAXS/WAXS) system at Carnegie Mellon University (CMU) to address these needs, enabling high-throughput studies at a variety of length scales and under a variety of stimulation conditions. By customizing the system to enable high-throughput and robotic control of experiments, this instrument will facilitate the broadening of participation in X-ray scattering research to users across science and engineering. Through an “Initiative for fully-automated high-throughput SAXS/WAXS” and annual meetings of the Western PA SAXS/WAXS Interest Group, this project will seed new collaborations that enable next-generation robotics applications and developing methodologies for machine learning-based discovery. Short courses and case studies in existing courses will support the integration of research and teaching, and outreach on SAXS/WAXS will target women and underrepresented groups. Ease of use, automation and remote operation capabilities will facilitate utilization at a national level.The research enabled by this instrumentation seeks to link material function to structure from the atomic to micron scales. The SAXS/WAXS system will enable researchers to conduct in situ and in operando studies across these scales to address a variety of important fundamental knowledge gaps. Specific goals include the use of the instrument to develop research contributions in the following areas: (1) solution-dependent conformation and dynamics of responsive nucleic acid nanosystems, (2) understanding and mitigating the structural evolutions in lithium ion battery electrodes that eventually lead to damage and catastrophic battery failure, (3) linking structure to function for novel antibacterial peptides, (4) elucidating the interplay between ion clustering and molecular packing/morphology of polymer matrix in governing the efficient transport in ion-transport membranes, and (5) the development of novel copolymer-based architectures in which lock-and-key interactions facilitate self-healing properties.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.