MEEG 667      Multiscale Modeling & Simulation

Spring Semester 2008

Instructor         Course Description         Topics         References         Expected Work        


Professor Roy
226 Spencer Lab
phone: (302) 831-1019



TR 9:30-10:45 AM
CLB 109




The advent of novel micro and nanofabrication techniques is challenging the scientific community to design engineering structures with submicrometer feature size in many fields of applications as diverse as electronics, photonics and energy conversion. However the development of these new technologies will have to be based on comprehensive theorical modeling and computational predictions so as to provide a fundamental understanding of how microstructure affects performance. Due to the wide range of scales typically associated with these new engineering problems, traditional monoscale approaches are inadequate, even with sustained progress in computational power. Hence the need for systematic multiscale modeling and simulation methods of complex multi-physics phenomena.

This course will be devoted to multiscale modeling and simulation methods applied to specific engineering and natural porous systems involving flow, transport and reaction phenomena. Porous media abound in many modern technologies: chromatography, drug delivery substrates, membranes reactors and chemical sensors, ceramics, protective clothing, heterogeneous catalysis, batteries, fuel cells. Examples in the natural world can be found in ground water phenomena or the cell tissue of some living organisms. These heterogeneous systems involve multi-physics phenomena, such as diffusional or convective transport, chemical reactions, electrochemical conversion, capillary condensation, wetting phenomena, etc. Such physico-chemical processes take place over length scales ranging from the atomic to the macroscopic. The role of multiscale methods is to provide the link between the microscopic features of a structure (e.g. porous material) and its macroscopic or bulk properties. However no single modeling method or simulation algorithm can handle such a wide range of length (and often time) scales. Although the microscopic details of the system have a significant effect on its behavior, we are often not interested in the knowledge of its behavior on the smallest scale. In fact, such solutions are not computationally feasible. One must then find a way of replacing the microscopic structure with macroscopic, homogeneous, properties. Multiscale methods attempt to predict at each scale, physical parameters which are then used in models for subsequent scales.

The first aim of this course is to expose students to specific examples of engineering and natural systems which exhibit strong coupling between flow, transport and reaction processes across multiple scales. We will demonstrate, through these examples, how performance of these systems is ultimately related to their microstructure, and that the overarching goal of multiscale modeling is to elucidate the relationship between a system's structure and its properties. The second aim of this course is to provide a background in the computational methods available at the different scales. We will outline the theoretical foundation, the range of applicability, and the strengths and weaknesses of each method.



Consult this site periodically for references.


Final paper with presentation.