The objective of this research grant is to develop and demonstrate a multimodel simulation infrastructure to support robust multiscale simulations in a manner in which design decisions across multiple scales can be effectively executed. Advances in physical and biological sciences have made it possible to understand spatial and temporal phenomena on the atomic, molecular, microscopic, and macroscopic scales. To take advantage of these advances, engineering design processes must rely on simulations that employ coupled models acting over multiple physical scales. Interoperable components will be developed that support a full range of adaptive model selection, scale linking and discretization control techniques. The methods to be developed will dramatically increase the reliability of multiscale simulations and design processes through adaptive model and discretization control. New parallel processing methods that employ multilevel dynamic load balancing will be developed to support the computations needed for automated adaptive multiscale simulation.
If successful, this research will produce computational technologies central to enabling multiscale modeling and simulation to be applied to applications ranging from basic nano- and bio-technology investigations, to the engineering of new products and medical treatments. Emphasis will be placed on how these technologies can advance the ability to perform robust multiscale design in areas as diverse of nano-electronics and the use of manufactured tissue replacements in the human arterial system. Collaborations with DOE laboratories, other universities and industry will support the demonstration of the multiscale simulation technologies developed on selected design applications that can be transitioned to practice. Based on past and present efforts, we fully expect that methods developed will be integrated into future computer-aided engineering software systems used by industry. Further, the research will be widely disseminated through conference presentations and journal articles.
