Title:

Intergrated Experimental and Computational Studies of Energy-Relevant Interfaces

Speaker:

Peter Cummings

Affiliation:

Vanderbilt University

When:

Monday, February 25, 2013 at 4:00:00 PM   Add to Calendar

Where:

MARC Building, Room Auditorium

Host:

Angie Beggs
angie.beggs@mse.gatech.edu

Abstract

Interfaces are ubiquitous in energy-relevant systems. Examples include the subterranean mineral-fluid interfaces that govern carbon sequestration, the electrode-fluid interfaces in batteries and supercapacitors, and the fluid-solid interfaces at which heterogeneous catalysis takes place. For many years, we have studied mineral-fluid interfaces with a combination of molecular (e.g., X-ray reflectivity, quasi-elastic neutron scattering and neutron spin echo) and bulk (e.g., titration) experimental probes closely integrated with molecular dynamics simulations using fluid-solid forcefields derived from ab initio calculations. Recently, as part of the activities of the Fluid Interface Reactions Structure and Transport (FIRST) Engineering Frontier Research Center (EFRC), we have extended this approach to the study of interfaces encountered in batteries, supercapacitors, and heterogeneous catalysis. The FIRST Center performs fundamental research on fluid-solid interfaces based on the premise that the next generation of electrical storage devices with superior performance will require a fundamental knowledge of the nanoscale architecture of the interface, the effect of nanotexture on interfacial properties, and the structural and dynamic changes that occur during charge and discharge cycles. In this presentation, we will provide an overview of our research on the molecular-level modeling and experimental characterization of energy-relevant interfaces.

Biography

Peter T. Cummings is the John R. Hall professor of chemical engineering at Vanderbilt University. He also holds the position of Principal Scientist in the Center for Nanophase Materials Sciences (CNMS) at Oak Ridge National Laboratory, as well as founding director of the Nanomaterials Theory Institute, the theory program within the CNMS. His research interests include statistical mechanics, molecular simulation, computational materials science, computational and theoretical nanoscience, and computational biology. He is the author of over 350 refereed journal publications and the recipient of many awards, including the 1998 Alpha Chi Sigma award given annually to the member of the American Institute of Chemical Engineers (AIChE) with the most outstanding research contributions over the previous decade, the 2007 AIChE Nanoscale Science and Engineering Forum Award, the 2010 AIChE Founders Award for Outstanding Contributions to the Field of Chemical Engineering in recognition of his “outstanding contributions through research, service to the Institute, and national leadership on behalf of the profession,” and the 2012 Yeram S. Touloukian Award from the American Society of Mechanical Engineers. He has been elected fellow of the American Physical Society, of the American Association for the Advancement of Science (AAAS), and of the American Institute of Chemical Engineers.

Notes

Refreshments will be served.