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Frontiers of Engineering: Reports on Leading-Edge Engineering from the 2004 NAE Symposium on Frontiers of Engineering (2005)
National Academy of Engineering (NAE)

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65
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Tenth Annual Symposium on Frontiers of Engineering

MULTISCALE MODELING

Page
65
Front Matter (R1-R12)
ENGINEERING FOR EXTREME ENVIRONMENTSIntroduction--Mary Kae Lockwood and John W. Weatherly (1-4)
Cool Robots: Scalable Mobile Robots for Instrument Network Deployment in Polar Climates--Laura R. Ray, Alexander D. Price, Alexander Streeter, Daniel Denton, and James H. Lever (5-16)
The Role of Modeling and Simulation in Extreme Engineering Projects--Jon Berkoe (17-22)
The Challenges of Landing on Mars--Tommaso P. Rivellini (23-32)
Accessing the Lunar Poles for Human Exploration Missions--B. Kent Joosten (33-36)
DESIGNER MATERIALSIntroduction--Kristi S. Anseth and Diann E. Brei (37-40)
Thin-Film Active Materials--Greg P. Carman (41-46)
The Future of Engineering Materials: Multifunction for Performance-Tailored Structures--Leslie A. Momoda (47-54)
Biomimetic Strategies in Vascular Tissue Engineering--Jennifer L. West (55-64)
MULTISCALE MODELINGIntroduction--Grant S. Heffelfinger and Dimitrios Maroudas (65-68)
Equation-Free Modeling for Complex Systems--Ioannis G. Kevrekidis (69-76)
Modeling the Stuff of the Material World: Do We Need All of the Atoms?--Rob Phillips (77-86)
Balancing Scales in Biological Models--Adam Paul Arkin (87-88)
Small-Scale Processes and Large-Scale Simulations of the Climate System--Bjorn B. Stevens (89-94)
ENGINEERING AND ENTERTAINMENTIntroduction--Chris Kyriakakis (95-98)
Capturing and Simulating Physically Accurate Illumination in Computer Graphics--Paul Debevec (99-112)
Spatial Audio Reproduction: Toward Individualized Binaural Sound--William G. Gardner (113-122)
Designing Socially Intelligent Robots--Cynthia Breazeal (123-130)
Appendix A: Designing Socially Intelligent Robots--Cynthia Breazeal (131-138)
Appendix B: Program (139-142)
Appendix C: Participants (143-152)

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Tenth Annual Symposium on Frontiers of Engineering MULTISCALE MODELING

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Tenth Annual Symposium on Frontiers of Engineering Introduction GRANT S. HEFFELFINGER Sandia National Laboratories Albuquerque, New Mexico DIMITRIOS MAROUDAS University of Massachusetts Amherst, Massachussetts Multiscale modeling and simulation are used in scientific and engineering research in biology and the health sciences, materials and processing sciences, and earth and atmospheric sciences. This emerging integrated, computational approach can lead to better understanding, analysis, and quantitative predictions of the behavior of realistic, complex systems. Multiscale modeling and simulation links atomic-scale phenomena with macroscopic responses over time scales relevant to humans (from minutes to centuries) by establishing rigorous links between widely different theoretical formalisms and computational methods that capture a very broad range of space and time scales—from electronic, molecular, and mesoscopic or microstructural scales to continuum or macroscopic scales. The core capabilities of multiscale modeling and simulation include computational quantum mechanics, statistical mechanics, and continuum mechanics combined with applied and computational mathematics, such as numerical analysis, nonlinear analysis of dynamic systems, optimization, and control theory. Some of these methods, which have been developed over many decades, are quite mature. However, the rigorous coupling of these methods to produce predictive models of phenomena that span multiple length and time scales remains a significant challenge. Examples range from linking molecular phenomena, such as DNA transcription and gene expression, with cellular, tissue, and organ response to connecting atomic-scale and grain-scale dynamics with the macroscopic response of engineering materials, such as metals, semiconductors, and polymers.

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Tenth Annual Symposium on Frontiers of Engineering The ultimate goal of multiscale modeling and simulation is to produce a global framework for system-level analyses of processes and phenomena relevant to human scales that are governed by phenomena occurring at much finer length and time scales. Achieving this goal will require advances in coupling various time and length scales, as well as in mathematics, computer science, and computational science. This session focuses on the state of the art in several aspects of multiscale modeling and simulation, including the coupling of modeling and simulation methods across time and length scales for specific applications in the science and processing of engineered materials (e.g., semiconductors, metals, and polymers) and in biology and health science. Presentations address recent advances in the theoretical, mathematical, and computer science underpinnings of multiscale modeling, as well as computational science challenges, such as tera- and peta-scale computing, advanced visualization, and enabling technologies.

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