Research Initiation Award: Multiscale modeling of the mechanical behavior and deformation mechanisms in small scale metallic structure exhibiting epitaxial interfaces

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Tuskegee University's Research Initiation Award entitled - Multiscale Modeling of the Mechanical Behavior and Deformation Mechanisms in Small Scale Metallic Structure Exhibiting Epitaxial Interfaces - has the goal to initiate a research program in multiscale modeling of the mechanical behavior of small scale metallic structures, with a focus on the treatment of interfaces and boundaries. Interfaces play a critical role in governing the mechanical behavior of structures at those length scales. However, a complete understanding of the underlying physical mechanisms is missing due to their complexity and dependence on all length scales: atomic, defect, and microstructure. To this end, the project initiates computational materials research at two scales: nanoscale, using molecular dynamics, and mesoscale, using crystal plasticity. The work will create and validate physically informed micro and mesoscale computational models for interfaces. The research objectives are to create and validate a dislocation dynamics (DD) framework which accounts for the interaction of interfaces with dislocations in epitaxial heterogeneous structures, including dislocation absorption, transmission, nucleation, and core spreading; and to use the "interface-enhanced" DD framework to perform carefully controlled virtual experiments to evaluate the ability of the viscoplastic self-consistent polycrystalline plasticity model to account for the same type of interfaces addressed in this research. To help accomplish these objectives, a collaboration with the experienced multiscale modeling team at the Center of Advanced Vehicular Systems at Mississippi State University has been forged with a long-term relationship in mind.The project will lead to establishing a computational mechanics program, providing synergistic research activities to undergraduate students, and infusing modeling and simulation into the mechanical engineering curriculum at Tuskegee University. The project will also document the mentoring practices and collect data to set the stage for future research on broadening the participation of minority students through intensive research in engineering.