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Researchers in the worldwide race toward miniaturization, nanoscience, molecular modeling of drugs and biological systems, advanced materials, and other applications, all of which involve events on atomistic or molecular levels, have run into a formidable roadblock: "The Tyranny of Scales" (see the NSF SBES Report). The term refers to the modeling of physical events that operate across large ranges of scale - 12 orders of magnitude in time scale, such as in the modeling of protein flow, or 10 orders of magnitude in spatial scales, such as in the design of advanced materials. At those ranges, conventional methods are rendered useless.
The Multiscale Modeling Group (MMG) at ICES has developed a new and general approach to multi-scale modeling to cope with the tyranny of scales based upon so-called "Goals-Oriented Algorithms." In a GOALS Algorithm, a specific quantity of interest that is to be simulated at a specific scale is identified. The group has developed a mathematical theory that allows the error contributed at all scales of the phenomena to the quantity of interest to be estimated. The GOALS Algorithm involves adaptively adding information from various scales so that the error in the quantity of interest can be systematically controlled.
One of the application areas within the MMG where the GOALS Algorithm is being tested and further refined involves the modeling and simulation of nano-manufacturing of semiconductors through a process called "Step and Flash Imprint Lithography" (SFIL). This work is being supported by the Department of Energy Program in Applied Mathematics. Details of this research are presented in the Research Projects section below.
A second area of active research within the MMG is the development of mathematical theory, algorithms, and computational tools for calibration, verification and validation, and uncertainty quantification of complex biological systems. Recent work has focused on dynamic data-driven application systems for controlling the laser treatment process for prostate cancer. This work, funded by the National Science Foundation, has been successful in predicting with a high degree of accuracy the temperature field in real-time for surgical procedures involving canine specimens. As of late, this research is being extended to patient-specific predictive modeling of tumor growth in the prostate and potentially other organs as well. The ultimate goal is to
develop a mathematically rigorous multiscale model that provides doctors with a quantifiable tool for assessing tumor growth and for making informed decisions regarding an appropriate course of action. Details of these research activities are also presented in the Research Projects section below.
Computational results for canine prostate laser surgery; MRI data and computational mesh (left), predicted temperature field (center), and modeling error (right).
The MMG has two large-scale interdisciplinary research projects that are supported by funding from the Department of Energy and from the National Science Foundation. A description of the research objectives, current status, preliminary results, etc. may be found by following the project links below.
Adaptive Multi-Scale Modeling Based on Goal-oriented Error Estimation and Control
The goal of this research project is to develop mathematical and computational algorithms for adaptive modeling of important classes of physical systems in which multiple spatial and temporal scales are prominent features of the response. The basic approach is built around general methods of a-posteriori estimation of modeling (and approximation) error and the control of error through systematic adaptive processes called Goals algorithms.
Details regarding project meetings, publications, presentations, etc. may be found at the following web location click here.
Multiscale Modeling of the Step and Flash Imprint Lithography Process
Multiscale modeling a of a nanomanufacturing process. Microscopic images of a chip design showing imperfections and surface roughness (top row). Densification and bond deformation of one realization of a 20x20x75 molecular model (middle row), and three stages of the Goals Algorithm model refinement for a mixed continuum-lattice model (bottom row).
Time history sequence showing the densification of a 2D lattice model.
View Movie (requires flash file plugins)
Dynamic Data-Driven System for Laser Treatment of Cancer
This collaborative research effort, sponsored by National Science Foundation, focuses on developing computer-simulation-based methods that could significantly enhance the effectiveness of laser therapy for cancer, particularly prostate cancer. The primary goal of the project is to develop a dynamic data-driven planning and control system for laser treatment of cancer. This research includes:
The research team consists of experts in biomedical engineering, computational and applied mathematics, computer science, visualization and imaging physics from UT-Austin and M.D. Anderson Cancer Center in Houston.
Details regarding project meetings, publications, presentations, etc. may be found at the following web location click here.
Image-Guided Control System and Computational Arena
Schematic of the image-guided, real-time, control system for the laser treatment of cancer. The procedure starts with the MRI data acquisition shown in the upper left of the figure.
Snapshot of the computer screen showing the computational arena for the laser treatment of a canine with prostate cancer. The snapshot includes: computed temperature field and anatomy (upper and lower left), computed/predicted power history of the laser (bottom center), unfiltered/ filtered MRTI data (upper right), a comparison of the predicted vs MRTI temperature field along a line through the center of the tumor (lower right), and statistics for extrema of temperature and cell damage along the bottom.
View Movie (approximately 2min 50sec; requires flash file plugins)
Professor Leszek Demkowicz receives the Computational Mechanics/Computational and Applied Sciences Award for 2009 at the USNCCM appreciation dinner in Columbus Ohio.
Rossky receives the 2009 American Chemical Society Physical Division Award ( Monday, January 5, 2009 )
Dr. Peter Rossky has received the 2009 American Chemical Society Physical Division Award in Theoretical Chemistry for his outstanding contributions in theoretical chemistry.
Babuska et al. receive the "Most Cited Author 2005-2008" Award ( Wednesday, January 21, 2009 )
Professors I. Babuska, R. Tempone and G. E. Zouraris have received the "Most Cited Author 2005-2008" Award for the paper entitled "Solving Elliptic Boundary Value Problems with Uncertain Coefficients by the Finite Element Method: The Stochastic Formulation."
Bajaj elected fellow by the American Association for the Advancement of Science ( Monday, March 16, 2009 )
Dr. Chandra Bajaj has been elected fellow by the American Association for the Advancement of Science, for his research in algorithms and data structures in computational geometry, image processing, data visualization and computational mathematics.
Babuska, Hughes, and Oden elected SIAM Fellows ( Friday, April 17, 2009 )
Professors Ivo Babuska, Thomas J. R. Hughes and J. Tinsley Oden have been selected as Fellows of the Society for Industrial and Applied Mathematics (SIAM) for their outstanding contributions to the fields served by SIAM.
Oden selected winner of the 2009 SIAM Prize ( Monday, April 20, 2009 )
Professor J. Tinsley Oden has been selected the winner of the 2009 SIAM Prize for Distinguished Service to the Profession. This is a unique SIAM prize, "awarded to an applied mathematician who has made distinguished contributions to the furtherance of applied mathematics on the national level."
Oden recognized with special issue of CMAME ( Thursday, April 23, 2009 )
The Special Issue of Computer Methods in Applied Mechanics and Engineering dedicated to Professor J. Tinsley Oden on the occasion of his 70th birthday was published last week.
Demkowicz receives the Olgierd Cecil Zienkiewicz Medal ( Wednesday, May 6, 2009 )
Professor Leszek Demkowicz has received the Olgierd Cecil Zienkiewicz Medal from the Polish Association for Computational Mechanics for his outstanding merit in the development of computational mechanics
Demkowicz recieves the 2009 USACM/CAS Award ( Wednesday, May 6, 2009 )
Professor Leszek Demkowicz has been selected the recipient of the U.S. Association for Computational Mechanics/Computational and Applied Sciences Award for 2009. He was selected to receive this award "for pioneering work in both the theory and implementation of hp-Finite Element Methods, its application to numerous areas of computational mechanics, and in particular computational electromagnetics."
Oden selected to receive the University Cooperative Society's 2009 Career Research Excellence Award ( Thursday, July 9, 2009 )
Professor J. Tinsley Oden has been selected to receive the University Cooperative Society's 2009 Career Research Excellence Award. Professor Oden was selected by a panel of previous award winners and other faculty members. An awards banquet honoring all nominees will be held in October at the Four Seasons Hotel. During the banquet, the Cooperative Society will highlight Professor Oden's achievements by presenting him with a check for $10,000.
J. Tinsley Oden – Cockrell Family Regents' Chair in Engineering No. 2
Ivo Babuska – ICES Sr. Scientist; Professsor, ASEM
Chandrajit Bajaj – Professor, Computer Sciences
James Browne – Professor, Computer Sciences
Leszek Demkowicz – ICES Assistant Director; Professor, ASEM
Kenneth Diller – Professor, Biomedical Engineering
Greg Rodin – Professor, ASEM
Peter Rossky – Professor, Chemistry and Biochemistry
Grant Willson – Professor, Chemical Engineering
Jon Bass – Assistant Vice President for Research
Paul Bauman – Postdoctoral Fellow
Brent Kraczek – Postdoctoral Fellow
Serge Prudhomme – Research Scientist
Kris van der Zee – Postdoctoral Fellow
Yusheng Feng – Associate Professor, UTSA
David Fuentes – Postdoctoral Fellow MDACC
John D. Hazle – Professor, MDACC
Jason Stafford – Assistant Professor, MDACC
Andrea Hawkins – CSEM Student
Chetan Jhurani – CSEM Student
Lorraine Sanchez – Executive Assistant, ICES
Contact person: Lorraine Sanchez
Email: lorraine@ices.utexas.edu
Phone: 512-471-4708