Principles for Formation of Transversely Modulated Heterophase Nanostructures

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TECHNICAL SUMMARYIn this research project, a new class of materials with controlled transversely modulated heterophase nanostructures (TMNS) will be developed. The research will integrate theory, modeling, experimental characterization, and design of TMNS with controlled scale and morphology. The basic idea of this research effort is to design TMNS by exploiting epitaxial self-assembling of constituent phases on a crystalline substrate. Formation of such self-assembled nanostructures requires establishing epitaxial relations between each phase and the substrate. These epitaxial relations lead to self-organization of constituent phases and formation of 3D heteroepitaxial nanostructures with coherent or semi-coherent interfaces. By selecting different substrates or substrate orientations and changing the thickness of the nanostructured layer, it is possible to control morphology of the self-assembled nanostructures on a scale that is difficult to obtain with other techniques. Because of the nanoscale of the component phases, dislocation-mediated mechanisms are suppressed resulting in significant elastic strain. Therefore, controlling this stress becomes a new mechanism for manipulating film properties, similar to semiconductor heterostructures. The goal of this research is to develop experimentally verified theoretical principles and computational tools to design materials with modulated nanostructures using epitaxial control. The ability to control morphology, scale, and stress state will be demonstrated. Self-assembled modulated structures on substrates will be formed as a result of either: (a) solid-solid phase transformation (polymorphic, martensitic, or eutectoid), or (b) eutectic crystallization from an amorphous or liquid phase. As a consequence of this research, new principles of design will be developed for thin film materials consisting of controlled heterophase nanostructures for tailoring of interfaces at the nanoscale, as well as the associated processing, characterization, and modeling techniques necessary to realize TMNS.NON-TECHNICAL SUMMARYNanostructured materials are important for a wide spectrum of structural and functional applications, such as sensors, actuators, magnetic recording media, wear resistant coatings, high temperature or corrosion resistant structural materials, and thermoelectric devices. This research will provide an entirely new principle for designing materials with controlled heterophase nanostructures that will lead to materials that are stronger, better at sensing, and more durable, as well as new materials that would not otherwise be possible such as multilayered composite structures whose properties can be actively tuned through self-assembly of the nanostructures. Broader impacts of this research include a coupled theoretical and experimental approach to research and education that ensures broad access to the knowledge needed to enhance the interest and skills of future engineers and researchers using sputtering techniques, nanoindentation, and computational materials science.