MRI/Acq.: High Performance Cluster for Multidisciplinary Research Project Proposed: This project, acquiring a high performance computer cluster, supports interdisciplinary projects focused on computational engineering. This hybrid performance computing cluster enables simulations of computational fluid dynamics, nanotube models, flexible body aerodynamics, and paper engineering models of ink transfer and engraving properties. The initial uses of the computational cluster will include basic research in Computer Science, with parallel algorithm development and implementation for projects in high energy physics and medical physics, and furthermore in computational fluid dynamics (CFD), carbon nanotube (CNT) modeling, and composite materials research in Mechanical and Aeronautical Engineering, flexible body aerodynamics in Paper, Chemical Engineering, and Imaging, and novel computational approaches in Chemistry. With a hybrid computing environment supporting distributed memory computations between nodes and shared memory computation within nodes and massive parallel computation on graphics processor cores, this cluster would provide a unique resource. Significant computational capability is required for the process of inter-scale information transfer in multi-scale modeling to yield new fundamental understanding of composite mechanics. For high-resolution CFD, the proposed acquisition of the HPC computer cluster is suited for high-speed, parallel DNS (Direct Numerical Simulations) and LES (Large Eddy Simulations) simulations (which play a key role in the advancement of the understanding of fluid turbulence in a wide range of characteristic scales). The computer cluster is expected to reduce the wall-clock time for computing the mechanical behavior of complex structures containing CNTs at a scale comparable to their production in a laboratory environment. While conventional CFD methods fail to accurately model flexible structures highly interacting with 3D flow, the proposed Lattice Boltzman method provides a powerful computational tool for complicated flexible body aerodynamics. High performance computational chemistry is expected to contribute new understanding of the reaction mechanisms catalyzed by DXR (reductoisomerase) and develop new methods for modeling the nature of chemical bonding by combining valence bond and molecular orbital theories. In computer science, a new model of parallel integration will be developed to support the automatic computation of iterated integrals, enabling new computations of Feynman loop integrals to support the validation of theoretical physics models for the collision of elementary particles observed at colliders. Iterated integration will also be applied in medical physics computations for regulating the dosage of proton beam radiation at varied angles. Broader Impacts: This instrumentation provides the opportunity for training on cutting-edge computing facilities across four departments and two colleges. It allows student participation in the operation and maintenance of the system. The new cluster should enable projects that foster inter-disciplinary research and collaborations. The Feynman integration project is supported by the High Energy Accelerator Research Organization in Tsukuba, Japan. Collaboration for the radiation therapy project is established with staff of the Henry Ford hospital in Detroit. Furthermore, some projects have applications in biomedical engineering (composite materials modeling, orthopedic implants and other medical devices, drug delivery with nanotubes, flow in IV tubes), medical physics (radiation oncology) and biochemistry (development of antibiotics, antimalarial drugs and herbicides), which can underlie cooperation in the framework of bio-engineering and the planned medical school of the university. The research in multiscale modeling for composite materials might have impact on global energy usage through improved fuel economy associated with weight reduction in structural components. It should also contribute to improve the environment through advances in wind turbine models and other renewable energy generating technologies. The results in flexible body aerodynamics should update, advance, and positively impact our understanding of the fundamental mechanisms of migration, rotation, flocculation, and dispersion of flexible and deformable fibers and bio-particles. Hence, the instrumentation can set the stage for educational developments at this mainly undergraduate serving institution. Software, data, and supporting materials of the projects will also be disseminated.

National Science Foundation (NSF)
Division of Computer and Network Systems (CNS)
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Rita V. Rodriguez
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Western Michigan University
United States
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