This CAREER award supports a theoretical and computational research program that will develop principles for designing materials utilizing spontaneous self-assembly of microscopic building blocks in a way that is far from the steady state of equilibrium to make materials that can perform specific functions. Biological systems constantly assemble microscopic materials such as polymers that have a variety of novel properties such as the ability to sense forces and geometry, the ability to adaptively tune structure in response to external stimuli and finally in the case of molecular motors, transmit forces and perform work. Discovering the design principles used by nature to make biological systems and using them in materials synthesis can lead to a new class of materials that are inspired by biology and can sense and adapt to stimuli. The rules governing material properties on the microscopic scale can however be dramatically different from those on the macroscopic scale because of random fluctuations coming from the thermal environment. Further, biological materials are built and operate under conditions where large amounts of energy are continually released through chemical bond breaking events which leads to the modification of material properties at the microscopic scale in many ways that are not intuitive and important. Many of the novel properties of biological materials are sustained by such energy flows. The presence of large energy fluxes and thermal fluctuations makes it particularly challenging to develop an understanding of how functional materials inspired by biology can be self-assembled and maintained. In this project, the PI will develop new general theoretical and computational frameworks that will elucidate how materials can be assembled from their constituent building blocks even in the presence of large energy fluxes. The research has the potential to elucidate how a variety of phenomena that occur in biological systems, such as the ability to adaptively change material morphologies and structure as external forcing is modified, can be achieved in synthetic materials systems. The educational component of the activity will develop computational modules that can illustrate everyday science and mathematical concepts and show how they find applications in current problems of practical importance. In collaboration with programs run by centers at the University of Chicago which provide opportunities to engage with teachers and students from the neighboring Chicago public schools, the PI will develop computational modules that can communicate the importance of science, particularly to populations underrepresented in STEM. Using these modules as a basis, the PI will also modernize the curriculum of undergraduate and graduate courses in statistical mechanics and thermodynamics. Finally, the PI and his group will continue to provide research opportunities for high school and undergraduate researchers and train the next generation of scientists.
This CAREER award supports theoretical and computational research to develop thermodynamic design principles for modulating self-assembly and material properties using nonequilibrium forces. Nonequilibrium forces can drive specific and novel pathways to modulate self-assembly and organization. Understanding and controlling self-assembly in nonequilibrium conditions is one of the most important problems in statistical mechanics. The close connection between energy dissipation and organization becomes evident in biological systems and materials. In contrast to the well-understood behavior and characteristics of equilibrium systems where no energy is dissipated, general principles governing fluctuations about a steady state or cases where the steady state itself is far-from-equilibrium are just being discovered. While the field of nonequilibrium statistical mechanics has seen tremendous progress over the last few years with the discovery of nonequilibrium fluctuation theorems, and development of thermodynamics for microscopic systems or stochastic thermodynamics, applications of these advances towards developing design principles for control of many body nonequilibrium systems remains lacking. In this project the PI and his group will develop theoretical and computational techniques that will enable control of compositions, phase transition behavior, and morphology in many-body systems as they are assembled and maintained in nonequilibrium conditions. Building on these advances, this project will introduce two new and distinct thermodynamic frameworks that will, for the first time, reveal the molecular tradeoffs between energy consumption, speed of assembly, and organization as soft materials are assembled or grown in nonequilibrium conditions. Together, these predictive thermodynamic theoretical frameworks can potentially identify a broad set of design principles for self -assembly and material properties far from equilibrium, a crucial prerequisite for the development of next generation adaptable (bio-inspired) materials using nonequilibrium fluxes. This research project is also aimed to aid in the design of protocols for generating a new class of nanoscale materials with novel functional properties. Applied in the context of the self-assembly of terminal nanostructures, this work can potentially provide intuition for how complex nonequilibrium self-assembly of functional nanostructures can be achieved. In biophysical settings, the research can provide frameworks to reveal the tradeoffs among energy, speed, and accuracy that are made in complex biophysical processes such as endocytosis and cell shape control. The educational component of the activity will develop computational modules that can illustrate everyday science and mathematical concepts and show how they find applications in current research problems, such as understanding how biological systems keep track of time and transmit forces. In collaboration with established programs run by centers at the University of Chicago which will allow the PI and his group to engage with public school teachers and high school students in the local community, the PI will utilize such computational modules and engage in outreach activities that communicate the importance of science and computer literacy, particularly to populations underrepresented in STEM. Using these modules as a basis, the PI will also modernize the curriculum of undergraduate and graduate courses in statistical mechanics and thermodynamics. Finally, the PI and his group will continue to provide research opportunities for high school and undergraduate researchers and train the next generation of scientists.
The Division of Materials Research and the Division of Chemistry contribute funds to this award.
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.
