TECHNICAL EXPLANATION: This grant is supported jointly by the Division of Materials Research and the Division of Mathematical Sciences through the Mathematical Sciences Priority Area program. The project involves the PI's comprehensive career development program. The research part builds on and significantly broadens the PI's successful work in the field of computational materials science. The PI proposes several novel and interdisciplinary projects for future research in this exciting field. Research topics discussed in the proposal include studies of strain-assisted self-assembly of semiconductor heterostructures on nanometer length scales, recrystallization kinetics, and microstructure and dislocation evolution in pure metals and alloys on mesoscopic length scales. Intellectual merit. Developing predictive tools and models for microstructural evolution is a challenging task due to the fact that different physical processes operate across several length and time scales simultaneously. Given the fact that there does not exist a single computational approach that can describe all physical processes of interest, the PI will construct appropriate physically-based continuum models which are simulated by sophisticated numerical methods and linked to more fundamental (i.e., microscopic) approaches. In this sense, the approach described in this proposal can be regarded as a multiscale one. These studies will lead to a better understanding of nonlinear microstructure formation processes on atomic and mesoscopic scales, and this in turn will push the frontiers of predictive modeling of these technologically important systems beyond what is currently possible. Broader impacts. A successful scientist is both a prolific researcher and an outstanding teacher and mentor. Thus, the PI's career development plan contains a strong educational component. The PI will incorporate his research topics into both undergraduate and graduate curricula at Princeton University. The PI's research will also involve undergraduate and graduate students on many different levels. For example, the PI will train highly qualified and critically thinking graduate students who possess the technical tools required to succeed in today's and tomorrow's science and engineering. It is noteworthy that for graduate students who do not wish to continue in academia upon their graduation, this line of research has much to offer, since there is a growing need for computational materials scientists within industry. Undergraduate students will be involved with the PI's research through Junior Projects and Senior Theses, as well as through an outreach program involving undergraduate students from schools that do not have strong research programs. Additionally, the PI will incorporate his research within two other outreach programs aimed at exposing high school students and teachers to materials science. The results of this research will be made available to other researchers and the general public through publications in peer reviewed journals and active participation in conferences and workshops. In short, the PI believes that the research and educational programs outlined here together comprise a comprehensive and ambitious career development plan which will significantly advance our understanding of complex microstructure formation processes, as well as positively impact the lives and careers of undergraduate and graduate students and post-doctoral fellows. NON-TECHNICAL EXPLANATION: The research project involves developing techniques for computational materials science and applying them to a variety of materials systems such as semiconductors and metallic alloys. The education component involves the integration of students at all levels into research, outreach and integrating research results into teaching.
