The Non-Equilibrium Energy Research Center (NERC) at Northwestern University combines theory with nanotechnology and self-assembly to understand and create a new class of materials that are able to change and optimize their own performance in response to external stimuli. These “adaptive” materials have the potential to revolutionize materials science by shifting the focus from static equilibrium structures to dynamic multi-purpose materials. The purpose of these materials is mostly for applications in energy-related materials systems, such as energy processing and catalytic activity. OUR VISION By closely interlinked synthesis, measurement, and modeling, we explore the relationship among design, energetics, and far-from-equilibrium behavior in a number of significant materials systems. Our overreaching goal is to combine the theory of such systems with cutting edge nanotechnology and/or self-assembly to synthesize, characterize and understand in quantitative detail fundamentally new classes of materials that, while structurally robust, has the ability to change and optimize their own performance (in energy processing, catalytic activity, etc.) in response to external/environmental stimuli. OUR DESIGN Creation of such “adaptive” materials that operate and/or maintain themselves away from thermodynamic equilibrium has the potential to revolutionize materials science and shift its focus from “static,” equilibrium structures to “dynamic,” multi-purpose materials. The Center is built around a core (a “Think Tank”) of expert theorists that interact closely with experimentalists working in four carefully selected “Focus Areas” to combine the fundamentals of non-equilibrium research with the practice and applications of energy-related material systems. Specific experimental targets include situations such as extension minima in rotaxane-based artificial muscles, controlling reaction networks by real-time catalytic switching, orthogonally-directed energy flows in multi-component quantum dot arrays, and controlled molecular quantum transport in rigid rod-like assemblies of nanoscale plasmonic electrodes. OUR FOCUS We focus on hard, soft, and hybrid materials. Theory, modeling and simulation efforts, fully integrated with synthesis and characterization, include such approaches as quantifying phase-space characteristics and force-dissipation gradients in non-equilibrium systems, non-equilibrium Green’s functions for electron transport studies, classical electrodynamics for plasmon behaviors, integrated atomistic, molecular, and coarse-grained molecular dynamics and related methods for extended length and time scale simulations, cluster-move Monte Carlo and agent-based algorithms for predicting non-equilibrium nanoscale self-assembly, transition path sampling and related methods to study morphological transitions, and classical density functional theory for self-consistent analysis of phase behaviors. OUR HISTORY The Non-equilibrium Energy Research Center (NERC), funded by the Department of Energy's Energy Frontier Research Center initiative, began on August 1, 2009 with 12 Principle Investigators (10 from Northwestern University, and two subcontracts - Harvard University, University of Michigan). Currently, the Center has 12 Principle Investigators (9 from Northwestern University, and three subcontracts - Harvard University, University of Michigan, Pennsylvania State University). The Center is sponsoring 28 postdoctoral fellows, 26 graduate students, and two NERC distinguished visiting scholars with annual contracts, as well as short-term visiting researchers.
How the results of this project will benefit society: The center’s focus is on the synthesis and characterization of new classes of materials under conditions far from equilibrium that are relevant to solar energy conversion, catalysis and storage of electricity and hydrogen. The center provides opportunities to inspire, train, and support leading scientists of the future who have an appreciation for the global energy challenges of the 21st century. The center leadership communicates effectively with scientists of all disciplines and promotes awareness of the importance of energy science and technology.
The Non-Equilibrium Energy Research Center (NERC) combines new research on non-equilibrium systems with nanoscale materials science. The combination of theory, simulations and experimentation will allow center researchers to develop materials that are not only structurally robust but also have the ability to change and optimize their performance in response to environmental stimuli. Collaborations are planned with scientists at the University of Michigan, Harvard University, and Penn State. This Center is funded under the American Recovery and Reinvestment Act of 2009, through the Department of Energy as one of the 16 ARRA-funded Energy Frontier Research Center (EFRC) Awards. |
