Versatile Gaussian Process and Bayesian Optimization for Multiscale Computational Materials Science Applications.
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High temperature thermoplastic polyimide polymers are incorporated in engineering structures in the form of matrix materials in advanced fiber composites and adhesives in bonded joints. Developing analytical tools to predict long term performance and screen for final materials selection for polymers is the impetus for intensive studies at NASA and major industry based airframe developers. These fiber-reinforced polymeric composites (FRPCs) combine high strength with lightweight. In addition, they offer corrosion and fatigue resistance, a reduction in parts count, and new possibilities for control through aeroelastic tailoring and "smart" structures containing fully-integrated sensors and actuators. However, large-scale acceptance and use of polymer composites has historically been extremely slow. Reasons for this include a lack of familiarity of designers with the materials; the need for new tooling and new inspection and repair infrastructures; and high raw materials and fabrication costs.
Topics covered include: An Annotative Review of Multiscale Modeling and its Application to Scales Inherent in the Field of ICME; and A Multiscale, Nonlinear, Modeling Framework Enabling the Design and Analysis of Composite Materials and Structures.
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In this CIF we worked to develop quantum algorithms for material science simulations based on new ideas recently proposed on plane wave basis sets. Many body simulations are not generally performed in plane wave basis sets on classical hardware, but with newly proposed quantum algorithms, it is possible this will be a highly efficient basis set to run quantum simulations on quantum hardware. Using state of the art classical simulations we ran small test simulations to estimate the resources that will be needed to run such plane wave algorithms on quantum hardware. We demonstrate our approach for a series of atoms and molecular systems.
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The Biological and Physical Sciences (BPS) Division of NASA’s Science Mission Directorate (SMD), and its predecessors, has sponsored extensive flight and ground experiments yielding benchmark datasets in many materials science research areas including thermophysical properties and solidification microstructure formation and evolution. The subject study sought to motivate and focus BPS’s engagement within the broader Integrated ICME community to understand the phenomena underlying material processing, structure, and properties in the microgravity environment of space and to support future space exploration efforts.