THE UNIVERSITY OF AT AUSTIN Department of Chemical Engineering Institute for Computational Engineering & Sciences Texas Materials Institute Institute for Theoretical Chemistry Simulation, Theory and Experiments of Complex Fluids, Nanomanufacturing & Biorheology Discovery & understanding of fundamental phenomena in the behavior of complex fluids, materials processing flows & cellular mechanics. Application of understanding for optimization of material processing, particle transport and cancer treatment. Research Themes: Roger T. Bonnecaze

THE UNIVERSITY OF AT AUSTIN Current Research Activities Rheology of Soft Particle Pastes Mechanical Properties – Metastatic Cancer Cells Electrochemical Reactor Modeling Multiscale O 2 Scavenging Membranes ExperimentalTheoretical Suspension Transport Complex Fluids Nano- manufacturing Biorheology Imprint & Immersion Lithography Matrix Stiffness Cell Speed

THE UNIVERSITY OF AT AUSTIN Rheology of Complex Fluids/Suspensions Development of Suspension Transport Equations –Theory –Experiments Rheology of soft particle pastes N b =18.6 ExperimentalTheoretical

THE UNIVERSITY OF AT AUSTIN Biorheology of Cancer Cells Relate precancerous cell and extracellular matrix chemical and mechanical properties to metastatic potential (with Prof. M. Zaman in BME) Use microrheology to characterize mechanical properties of cell/matrix Relate these mechanical properties and chemical Properties of matrix to cell migration speed (experiments and simulation) Friedl et al. J. leukocyte Biol. 2001

THE UNIVERSITY OF AT AUSTINNanomanufacturing RAPIDLY AND EFFICIENTLY DESIGNED NANO- MANUFACTURING PROCESSES HIGH VALUE PRODUCTS Solar Cells Photonics Hi Density Memory CAE Design of Machine & Process for Nanopatterning Machine Dynamics Master/Web Creation Directed Assembly & Coating Imprint & Embossing PROCESS MODELS & SIMULATIONS INTEGRATED SIMULATIONS CAE TOOLS Functionalized Nanopatterned Surfaces Interdisciplinary project involving faculty in ChE, ME, ICES, Chemistry, and TACC -Challenging numerical as well as modeling issues

THE UNIVERSITY OF AT AUSTIN Critical Fluid Dynamics in SFIL Monomer drops Small feature pattern Large feature Substrate Imprint time Base layer thickness Filling by multiple drops Arresting of droplet flow front Filling of template features h/h 0 t/t c

THE UNIVERSITY OF AT AUSTIN Tools for our Work Simulation –MD and MD-like particle simulations –Monte Carlo methods –Continuum mechanics Theory –Perturbation methods –Scaling theory –Statistical mechanics Experiments –Electrical resistance and magnetic resonance tomography –Confocal microscopy & microrheology –Rheometry –Hi-speed imaging of flows

THE UNIVERSITY OF AT AUSTIN Anticipated Projects Supercapacitor advantages High charge/discharge rates High current delivery Bus/truck hybrids Extremely high charging cycles Process Dynamics and Optimization for Thin Film Nanoimprinting –Modeling, simulation and experiments Modeling of Cancerous Cell Migration –Simulation and experiments Modeling and Design of Supercapacitors