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Sep 27 2016

Multiscale Modeling-guided Design of Materials Interfaces for Improved Performance and Lifetime

MIE Department Seminar

September 27, 2016

11:00 AM - 12:00 PM


1043 ERF


Chicago, IL 60607

Multiscale Modeling-guided Design of Materials Interfaces for Improved Performance and Lifetime

Santanu Chaudhuri, PhD.

Accelerated Materials Research, University of Illinois at Urbana-Champaign

Abstract: Understanding dynamic nature of material interfaces is key to predicting performance, failure and degradation of multi-material systems and devices. In many applications, the ability to control the design and manufacturing of perfect material interfaces can revolutionize performance and limit degradation. For example, performance bottlenecks and limits on lifetime in fuel cell electrodes, batteries, catalytic reactors, and hydrogen storage systems are linked to changes in interfaces with multiple cycles of use. Simulation-based explorations of interface materials can be very effective in designing hetero-interfaces to make them resilient from failure. Unfortunately, simulation methods that can faithfully predict the spatio-temporal evolution of alloys, polymers and composites under complex thermo-chemo-mechanical conditions are currently non-existent. Research in my Accelerated Materials Research group concentrates on this key missing link: How to connect synthesis, processing and manufacturing steps to the performance and lifetime of multi-material systems? In the first part of this presentation, atomistic and mesoscale modeling involved in predicting the performance and evolution of material interfaces will be discussed. Specifically, results from recent studies on electrochemically active interfaces, role of transport, and long-term evolution of such interfaces in complex electrolytic environment will be highlighted. In the second part, ongoing work on data-enabled evolutionary search for design of functional materials such as alloys, polymers and electrolytes under high- performance computing environment will be presented. Finally, a summary of some important unresolved challenges in fundamental and applied battery and energy storage research will be provided to motivate discussions.


Bio: Dr. Santanu Chaudhuri is the Director of Accelerate Materials Research (AMRes) program at ARI, the applied research organization of the University of Illinois at Urbana-Champaign. He leads a research team that specializes in the practical and engineering application of high-performance computing in energy, environment and manufacturing applications. He is currently funded by DOE, DHS, NSF, AFOSR, ARL, EPRI, DMDII, GE Global Research, Boeing Company, Ford Motors and FMC Technologies.

Dr. Chaudhuri earned his Ph.D. degree in Materials Chemistry and Chemical Physics from SUNY Stony Brook in New York in 2003. During his graduate study, he received NATO scholarship to work in Oxford University for simulating ionic conductors, catalysts and battery materials. From 2003-2006, Dr. Chaudhuri worked in Brookhaven National Laboratory’s Center for Functional Nanomaterials on theory-guided design of hydrogen storage materials for automobile applications. Subsequently, he joined Washington State University where he was an Associate Professor in Department of Physics and Astronomy and lead the applied sciences efforts for the University. In 2014 Dr. Chaudhuri moved his group to University of Illinois at Urbana-Champaign. He has published more than 60 research articles, and he serves in multiple committees including Midwest data hub, BlueWaters Supercomputing, Campus Cluster, NCSA Industry - Private Sector Program and steering committee for Energy Summit at UIUC.


Carmen Lilley

Date posted

Oct 14, 2021

Date updated

Oct 14, 2021