THE UNIVERSITY OF

AT AUSTIN

Department of Chemical EngineeringInstitute for Computational Engineering & SciencesTexas Materials InstituteInstitute for Theoretical Chemistry

Simulation, Theory and Experiments of Complex Fluids, Nanomanufacturing &

Biorheology• Discovery & understanding of fundamental phenomena in thebehavior 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 ActivitiesCurrent Research Activities

Rheology of Soft Particle Pastes

Mechanical Properties – Metastatic Cancer Cells

Electrochemical Reactor Modeling

Multiscale O2 Scavenging Membranes

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1.000.540.490.440.390.340.290.240.190.140.090.04

y

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Experimental Theoretical

Suspension Transport

Complex Fluids

Nano-manufacturing

Biorheology

Imprint & Immersion Lithography

60 670

5

10

15

20

25

30

35

40hMEC Cells (parentals and ErbB2in Gels of Different Stiffnesses

Sp

ee

d (m

/hr)

% Matrigel (v/v)

hMECs ErbB2 hMECS parentals

Matrix StiffnessCel

l Spe

ed

THE UNIVERSITY OF

AT AUSTIN

Rheology of Complex Rheology of Complex Fluids/SuspensionsFluids/Suspensions

• Development of Suspension Transport Equations– Theory– Experiments

• Rheology of soft particlepastes

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x

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x

Nb=18.6

Experimental Theoretical

COO-

COO-

COO-

COO-

COO-

COO-

COO-

COO-

Na+

Na+

Na+

Na+

Na+

COO-

COO-

COO-

COO-

COO-

COO-

COO-

COO-

Na+

Na+

Na+

Na+

Na+

THE UNIVERSITY OF

AT AUSTIN Biorheology of Cancer CellsBiorheology of Cancer Cells

Relate precancerous cell and extracellular matrixchemical and mechanical properties to metastatic potential

(with Prof. M. Zaman in BME)

Use microrheology to characterizemechanical properties of cell/matrix

Relate these mechanicalproperties and chemical Properties of matrix to cell migration speed (experiments and simulation)

Friedl et al. J. leukocyte Biol. 2001

THE UNIVERSITY OF

AT AUSTIN NanomanufacturingNanomanufacturing

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 SFILCritical Fluid Dynamics in SFIL

Monomer dropsSmall feature pattern

Largefeature

Substrate

• Imprint time• Base layer

thickness• Filling by multiple

drops• Arresting of droplet

flow front• Filling of template

features

time

heig

ht

10-6 10-5 10-4 10-3 10-2 10-1

0.2

0.4

0.6

0.8

1

1drop

4drops

9drops

25drops

49drops

h/

h 0

t/tc

THE UNIVERSITY OF

AT AUSTIN Tools for our WorkTools 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 ProjectsAnticipated 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