Math Modeling Seminar: Materials by Design
Math Modeling Seminar
Materials by Design
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Dr. Pratik Dholabhai
Associate Professor
Rochester Institute of Technology
Abstract:
The need to discover and design materials with precise functionalities is key to modern technology. As material dimensions continue to shrink, the functionality requirement in new materials make atomic and nanoscale design a necessity. However, at the nanoscale, synthesis of every new material via a trial-and-error approach is not only arduous, but also expensive. Recent advancements in theoretical methods along with ever-increasing computational resources have altered the interplay between computation and experiment. In this context, I will elucidate the concept of Materials by Design. Complex oxides are indispensable materials in renewable energy technologies such as fuel cells, batteries, energy storage, carbon sequestration, etc. By primarily focusing on the work done by undergraduate and graduates students in my research group, I will elaborate on our use of computational tools based on density functional theory, molecular dynamics, and kinetic Monte Carlo methods to identify the underlying mechanisms that govern the properties of nanostructured complex oxides. Fundamental understanding of these mechanisms assists in designing nanomaterials with tailored properties.
Intended Audience:
Beginners, undergraduates, graduates. Those with interest in the topic.
Interpreters have been requested.
Event Snapshot
When and Where
Who
This is an RIT Only Event
Interpreter Requested?
Yes