Scientific Computing, Modeling & Simulation
Savitribai Phule Pune University

Colloquium | A bottom-up computational approach to biomaterials and aerogels


Title A bottom-up computational approach to biomaterials and aerogels
Speaker Sandeep P Patil, Director of India Office at RWTH International Academy

Dr Sandeep P Patil is the Director of India Office at RWTH International Academy, Group Leader at RWTH Aachen University, and Adjunct Faculty at the COEP Technological University (COEP Tech).
Date & Time Friday, 23 September 2022 | 11:00-13:00
Venue In-person: Kelkar Lab, SCMS-SPPU
Abstract The mechanical properties of hierarchically structured materials rely on the characterization and understanding of their nanostructure. Experimental studies have shown that the extraordinary mechanical properties of silk are conferred primarily on the nanostructure. In the first part, we propose a three-dimensional (3D) finite element model of a silk fibre based on the secondary (nanoscale) structure of the Araneus diadematus silk fibre. Our bottom-up approach to dragline silk fibre predicted mechanical properties agree with the experimental ones within the limits of the experimental accuracy. We designed the airbag model with spider silk material and performed an impact analysis. Finally, the obtained results are compared with the standard airbag test. Our study paves the way toward a new promising material for airbags. In the second part, the mechanical properties of aerogels have been studied with molecular dynamics (MD) simulations. Silica aerogels have been considered for a broad scope of application areas, including but not limited to energy storage, aerospace, shock absorbers, Knudsen pumps, and high-energy-density. Another advanced material is graphene aerogel, the lightest material that has ever been synthesized and has 90-99% porosity. MD simulations are effectively used to model the silica and graphene aerogels according to the synthesis procedure.
Organizer/Host Student Co-ordinators, SCMC-SPPU
Slides/Poster


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