ITR/AP: Multiscale Models for Microstructure Simulation and Process Design:

• Overview
• Cross-discipline research leads to powerful new analysis method
• Research on software environments sparks new science
• Interdisciplinary training of engineers, scientists & mathematicians

Cross-disciplinary research is essential to the success of this project, as is reflected in the alliance between the Materials Computation Center (atomistic science) and CPSD (continuum science).

Fig. 7: Three-dimensional simulations of dendritic solidification in a metal alloy are predictive of grain structure in casting processes. In addition to increasing the productivity of applications research, the interdisciplinary research environment in CPSD provides beneficial training to students in computer science, mathematics and the application sciences.

Training students and postdocs in this style of research is an important part of our mission that is realized through cross-discipline co-advising of students and postdocs and through weekly multidiscipline research meetings:

• SDG systems integration; includes computational geometers (CS, Math), mechanicians (MechSE), software and parallel computing environments (CS), and visualization (CS).
• Continuum/atomistic coupling; (MatSE, Physics, MechSE)
• PDE theory group; includes pure mathematicians (Math) and finite element experts (MechSE)

The project has provided research experience to one undergraduate, and three women are involved at the graduate level.

To date, our graduates have attained two faculty appointments with U.S. universities and two postdoctoral appointments.