Champaign, IL, United States
Champaign, IL, United States

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Grant
Agency: Department of Defense | Branch: Air Force | Program: SBIR | Phase: Phase I | Award Amount: 150.00K | Year: 2013

ABSTRACT: Development, implementation and validation of a computational model to simulate combustion processes coupled with acoustic phenomena is critical to quantitatively predict acoustic waves inherent to gas turbine engines, i.e. screech and rumble. For a rigorous high-fidelity numerical model for acoustic combustion in engine augmentors, we identified several critical technology components. These include compressible LES, low Mach number schemes, efficient time advancement, non-reflecting boundary conditions, turbulent combustion modeling for LES, Lagrangian multiphase modeling for liquid breakup and evaporation, and a CFD method that accurately, yet efficiently captures high frequency acoustic waves in a complex geometry setting. Most of these required technology components are already available in the IllinoisRocstar Rocstar Simulation Suite physics modules. We propose a series of enhancements for the purpose of adding new physics, bringing the existing models closer to first principles, and increasing the numerical efficiency and accuracy. We include a validation roadmap that will systematically validate the high-fidelity methodology, starting from academic canonical problems to realistic augmentor geometries and physics of engineering interest. These include premixed combustion, liquid fuel injection, breakup and evaporation, some non-premixed spray combustion, all coupled with resolved acoustic waves and turbulent fluctuations, and their corresponding subgrid scale effects. BENEFIT: The IllinoisRocstar Chimera-overset mesh code, RocfloCM, and multiphase particle software tool, Rocpart, will be fully embedded within a commercially-oriented design tool for predictive modeling. The Phase II anticipated result is that we will have fully demonstratedon realistic hardware geometries and flow conditionsa new methodology that permits high-fidelity predictive simulations of the effects of acoustic combustion instabilities on engine augmentor performance and integrity. This demonstration will substantially extend the state of the art in terms of computational efficiency and predictive accuracy, when compared against current commercial and in-house tools. We expect that this new methodology will be an enabling technology for the high-fidelity prediction of turbulent combustion flows in complex gas turbine augmentor applications. This program will provide pathways to two salable products: software and engineering services. Software: A validated tool to predict acoustic combustion instabilities in engine combustors will be available from this work. It will be of commercial quality, and have great modeling flexibility due to its modular, multiphysics module structure, and incorporate state-of-the-art methods for modeling augmentor rumble and screech instabilities. All DoD mission agencies have interest in predicting propulsion instabilities due to acoustic combustion (e.g. Army, MDA, Navy, Air Force and NASA), and many U.S. industry and government agencies can also benefit from the capabilities of a flexible, validated modeling package. Government prime contractors providing engine technologies to the government will be licensing targets for the package. Engineering services: Analytical and consulting services will be available based on the validated capabilities at the end of Phase II. These services are needed by the DoD components, aircraft manufacturers and their tier-two and -three suppliers. The Phase III application of this technology will initially address the mission service project offices for prime contractors in the market.


Grant
Agency: Department of Defense | Branch: Navy | Program: SBIR | Phase: Phase I | Award Amount: 80.00K | Year: 2014

The accurate representation of the rotor wake, especially the tip vortex structure, in a computationally efficient and algorithmically straight forward way is crucial for prediction of rotor aerodynamic performance, noise emission, and rotor structural dynamics. A promising approach for design and optimization is the vorticity confinement (VC) method that minimizes the numerical diffusion of vorticity in the vortical flow regions. The remaining challenge is to remove the tuning of model parameters to make the method truly predictive and robust. We will develop a fully adaptive VC (AVC) method based on a new formulation. Auxiliary numerical treatments will be implemented that can detect and mitigate potential instabilities, borrowing the idea from shock capturing schemes. We will assess the AVC method in different types of numerical schemes, particularly the spatial discretization scheme. A procedure to determine model parameters dynamically will be constructed dependent on the numerical schemes employed. As a result, it is expected that the new VC methodology will be broadly applicable and characterized for a range of numerical schemes. The Phase II AVC implementation will address rotorcraft applications, including strong transients, rotor noise due to blade vortex interaction, rotor-body nonlinear interactions, and aeroelasticity of the rotor blades.


Grant
Agency: Department of Energy | Branch: | Program: SBIR | Phase: Phase I | Award Amount: 149.98K | Year: 2015

Problem Being Addressed: United States competitiveness would benefit from increased speed of delivery of new material- and molecular systems for clean energy by enabling predictive modeling & simulation-based design of such systems prior to synthesis. These computational predictive capabilities are also important in the areas of atomic and molecular physics, chemistry and chemical biology, coherent control of chemical reactions, and materials sciences. Recent advances in theoretical descriptions and modeling software for materials and chemical science are yet to be widely available to the majority of the engineers and scientists in the United States, especially those in the commercial sector. How This Problem is Being Addressed: A new design, research, and educational HUB (web-based community site using existing open-source software) to enhance the rate of breakthroughs in complex materials chemistry and design will be developed during this project. Behind the web interface will lie a network of chemistry and materials modeling simulation tools for use by a community of users cultivated during the project. Most importantly, a new, existing open-source multiphysics application coupling toolkit will be leveraged to construct and facilitate assembly of important multiphysics tools for use on the site. The resulting community, centralized interface for chemistry and materials design and research, multiphysics tools, and standardized data formats will set the stage for the next advances in chemistry and materials multiphysics modeling and research. Commercial Applications and Other Benefits: Engineers, scientists, and educators, especially those in the commercial sector or at small academic institutions, need an integrated and collaborative system to catalyze formulation of new material- and molecular systems for clean energy. The proposed innovation delivers enhanced access to customized solutions to novice and expert users who now or soon will rely on simulation in their research and development environments. The web-based, advanced coupling toolset to be provided from this project would greatly facilitate solving todays problems through innovation, research, outreach, and education. Key Words: chemistry, chemical physics, materials, multiphysics, web-based, HUB, data standardization, community, coupled applications Summary for Members of Congress (13th Congressional District of Illinois): Accessibility of chemistry and materials modeling and simulation capabilities is critical to advancing materials research and development that support United States industrial competitiveness. This project cultivates a new web-based community site for assembling, using, and building new tools that will produce a substantial advance in accessibility and speed of development.


Grant
Agency: Department of Energy | Branch: | Program: SBIR | Phase: Phase I | Award Amount: 150.00K | Year: 2015

Problem Being Addressed: Lack of availability, usability, and the cost of development, ownership, and operation of high performance compute-ready simulation capabilities are significant barriers to utilization of modeling & simulation for American industry. Most open-source, free technologies are difficult to use and/or not validated to the extent needed for industrial application. Many commercial tools that are easy to use, are very expensive to own. Hardening of currently available research-quality simulation tools can can produce capabilities that are both easy to use and free. How This Problem is Being Addressed: The goal is to harden an ASC-developed multiphysics simulation application and distribute it under an open source license that allows unrestricted commercial use. Expert users from government, industry, and academia currently employ the code on modern large cluster platforms for a variety of multiphysics simulations. When completed, this project will produce the only open source massively parallel multiphysics application that is freely available, and which stands ready to utilize the nations modern high performance computing resources. Once hardened for ease of installation and use, the package will help lower the entry barriers to high performance computing-based modeling & simulation. Commercial Applications and Other Benefits:A freely available, open, and easily extensible massively parallel-ready multiphysics simulation capability for use by engineers and analysts from industry and other environments will be generated from this project. Such a capability will significantly reduce the barrier to entry for private sector entities endeavoring to utilize multiphysics simulations and incorporate them into design processes that leverage the nations extensive computing resources. To maintain competitiveness in the modern world marketplace, simulation applications must be designed for deployment in integrated environments and coupled models, simulating ever more complex interacting systems. The licensing model under which this application will be distributed facilitates its use and extension in any environment. The benefits include increased realism, decreased time-to-solution, increased manufacturing capability, reduced manufacturing cost, and a decrease in the product design cycle. The economic implications and range of commercial applications are large and promising. Modular high performance computing-ready simulation capabilities are the future of modeling & simulation for American industry, and a key to maintaining national competitiveness. Key Words: Multiphysics, graphical user interface, validation, modeling & simulation Summary for Members of Congress (13th Congressional District of Illinois): Establishing an infrastructure for high performance computing-aided modeling & simulation is key to the future of U.S. industrial competitiveness in the world marketplace. This project results in the nations first free, commercial-quality software to provide advanced, extensible multiphysics simulation capabilities and infrastructure to industry users.


Grant
Agency: National Aeronautics and Space Administration | Branch: | Program: SBIR | Phase: Phase I | Award Amount: 124.98K | Year: 2014

Illinois Rocstar LLC proposes to develop and demonstrate the use of an integrated computational environment and infrastructure for electrochemical device design and simulation: ICED. This environment integrates the user's personal computational environment with high performance simulation applications for materials and processes. The current state of the art for electrochemical device design utilizes empirical or highly simplified models, homogeneous materials, and relies heavily on experimentation. ICED will enable device researchers to utilize advanced models implemented in state of the art simulation software, taking advantage of modern compute hardware, providing a truly predictive and exploratory research and design platform. To demonstrate the feasibility of the system, Illinois Rocstar will develop a detailed three-dimensional model for nanomaterial electrode performance, including modeling of the electrode microstructure, electron conduction, and ion transport in the solid and liquid phases. This model will be integrated into a device-scale simulation with existing simplified models of all device components. The model and simulation tool will be validated against experiments conducted by our SBIR partner, Xerion Advanced Battery Corp.


Grant
Agency: Department of Energy | Branch: | Program: SBIR | Phase: Phase I | Award Amount: 149.94K | Year: 2016

Over the past decade, the use of multiphysics simulation – combining tools covering multiple physics disciplines together to generate advanced predictive codes – has surged as available computational power has grown. Many of these tools use “meshes” or “grids” to discretize their problem domains, and often, data must be transfered from one grid to another many times during a simulation. Many advanced tools exist to do this, but they are often usable only by experts. Further, “cloud-based”, web-enabled infrastructures are maturing quickly, and tools are needed that allow use of multiphysics capabilities through these web-enabled platforms. How This Problem is Being Addressed: The product of this project will be a free, open-source suite of grid data transfer tools, wrapped in a web-services infrastructure. The tools to be included in the product include innovative new modules, as well as existing tools restructured for use in the system. An existing, open-source DOE lab-generated toolkit will be used for some of the work, and new modules will be built in a compatible fashion so they can be returned to be included in the toolkit if desired. The resulting suite of tools will be usable for both 2D and 3D grid data transfer, will include different methodologies, and will be available either for direct inclusion in existing and new physics tools, and as a web-service in distributed web-based computational environments. Commercial Applications and Other Benefits: The suite of tools to be provided will support modular use of the individual facilities through linking to multiphysics tools directly, or will support monolithic “black-box” use through a web services interface. The goal is to provide modular capabilities for advanced users with HPC/application development skill sets, and to drive multiphysics deeper into general use in communities such as small to medium engineering and manufacturing through packaging in easy-to-use, interface-friendly ways. Thus, both multiphysics code developers and common users can benefit from the advanced grid data transfer capabilities that are necessary facets of many modern multiphysics predictive simulation tools. The long-term vision is to provide web-service access to sets of multiphysics-ready tools that can work together to “script” robust capabilities that can be assembled and run on large computational resources. Key Words: web-enabled, multiphysics, grid, mesh, modeling and simulation, solution transfer


Grant
Agency: National Aeronautics and Space Administration | Branch: | Program: SBIR | Phase: Phase II | Award Amount: 749.96K | Year: 2015

During the Phase I project, major portions of a base, open-source, easily extensible battery modeling system have been developed with a modern, modular architecture and methods. In addition to the new modules and architecture built by Illinois Rocstar, we have identified a number of available tools that fit well with our vision of the final ICED product. Open-source tools from the Oak Ridge National Laboratory CAEBAT project and proprietary, but government-funded tools from the Idaho National Laboratory (INL) will be modularized and brought into the ICED system, ensuring that the Phase II value we bring to NASA is focused on developing new capabilities such as predictive tortuosity modeling, while assembling a tool that contains the most advanced battery modeling capabilities available. Advanced science and modeling tools are rarely accepted by industry without (i) support behind them and (ii) ease of installation and use. Thus, we are focusing on bringing scientific software to industry in forms where commercial-quality, easily installed, and graphically-interfaced tools are needed by those who have no interest in developing software, and providing open-source source code to those that want it. We focus on generating predictive, advanced scientific tools to bear on problems of national interest. We bring a commercially-supported environment to the table for them, which is a service that the national laboratories cannot provide themselves. In the end, we will produce a significant advance in areas of battery modeling, while integrating multiple tools across other sources using our open-source Illinois Rocstar Multiphysics Application Coupling Toolkit (IMPACT). Our business model for providing this software to industry, government, and academia is significantly different than how most larger simulation software companies operate, and we believe has a significant value proposition to all parties that can benefit from advanced battery modeling and simulation.


Grant
Agency: Department of Energy | Branch: | Program: SBIR | Phase: Phase I | Award Amount: 149.95K | Year: 2016

Creation of national web–enabled infrastructure for predictive theory and modeling is needed to facilitate the coordination and sharing of information and data, scalable codes, and for their implementation on or transfer to new architectures. In addition, a web–based infrastructure is needed to impose universal standards for data inputs and outputs in the multitude of codes and methodologies or to capitalize upon semantic strategies for bypassing the need for universal standards altogether. Coordination, standardization, and sharing of chemistry and materials data are being addressed in this project through construction of a distributed web-based infrastructure specifically designed to provide standardized storage, organization, and retrieval of chemical and materials predictive simulation datasets and resultsets. Standardization is being addressed through use of a chemistry and materials–specific markup language that will be used within the site, and promoted as a data exchange mechanism external to the site. File-level storage and metadata collection are provided for breadth of application, while research into tool and area-specific dataset and result parsing will provide depth of coverage. The ability to archive and protect sensitive or proprietary data is also needed to produce the desired national use in order to collect and make available the largest set of open data to promote U.S. competitiveness. Commercial Applications and Other Benefits: The goal of assembling and making available an open, nationally-published repository of chemistry and materials datasets and results will drive a number of commercial applications, as well as national benefits. Ultimately, the distributed system will consist of a main open repository for public data, and a satellite ecosystem of private repositories storing private data, but interacting with the public instance. In this way, industry, government, and academia will be able to take advantage of the open data, contributing as they are able, while still protecting sensitive or proprietary data. This is the only way that a truly national web of connected data will be able to be generated. Once this organization of data begins to grow, the benefits of decreased duplication, increased interoperability, increased speed of accessing needed data, and ultimately decreased cost and time to market for U.S. industrial applications will be realized. Duplication of effort in discovering data for predictive simulation wastes resources nationally that could be better spent speeding delivery of new material and molecular results for clean energy. A nationally accessible web of chemistry and materials data repositories will facilitate inter-organizational sharing, accelerating breakthroughs across industry, government, and academia.


Grant
Agency: Department of Energy | Branch: | Program: SBIR | Phase: Phase II | Award Amount: 1.01M | Year: 2016

United States competitiveness would benefit from increased speed of delivery of new material- and molecular systems for clean energy by enabling pre- dictive modeling & simulation-based design of such systems prior to synthesis. These com- putational predictive capabilities are also important in the areas of atomic and molecular physics, chemistry and chemical biology, coherent control of chemical reactions, and materi- als sciences. Recent advances in theoretical descriptions and modeling software for materials and chemical science are yet to be widely available to the majority of the engineers and scientists in the United States, especially those in the commercial sector. How This Problem is Being Addressed: A new design, research, and educational HUB (web-based community site using existing open-source software) to enhance the rate of break- throughs in complex materials chemistry and design will be developed during this project. Behind the web interface will lie a network of chemistry and materials modeling simulation tools for use by a community of users cultivated during the project. Most importantly, a new, existing open-source multiphysics application coupling toolkit will be leveraged to construct and facilitate assembly of important multiphysics tools for use on the site. The resulting community, centralized interface for chemistry and materials design and research, multiphysics tools, and standardized data formats will set the stage for the next advances in chemistry and materials multiphysics modeling and research. Commercial Applications and Other Benefits: Engineers, scientists, and educators, espe- cially those in the commercial sector or at small academic institutions, need an integrated and collaborative system to catalyze formulation of new material- and molecular systems for clean energy. The proposed innovation delivers enhanced access to customized solutions to novice and expert users who now or soon will rely on simulation in their research and development environments. The web-based, advanced coupling toolset to be provided from this project would greatly facilitate “solving today’s problems through innovation, research, outreach, and education.”


Grant
Agency: Department of Energy | Branch: | Program: SBIR | Phase: Phase II | Award Amount: 999.89K | Year: 2014

Computational simulation of many of todays important and challenging problems in science and engineering involve multiple, complex, interacting physical systems, and often involve combustion or other sources of energy release. This multiphysics modeling refers to the advanced coupled modeling techniques used to simulate these interacting systems. There are currently no existing accepted open standards for multiphysics application coupling, which causes implementation of many single-problem solutions at high cost. This project will extract and generalize an existing multiphysics software integration infrastructure for use by the broader community interested in developing multiphysics capabilities with existing simulation applications. This general, free, open-source multiphysics infrastructure will serve as a reference implementation to help guide the development of a new open standard for highly inter-operable multiphysics software design and execution. During the Phase I project, a Software Integration Toolkit was designed, and an implementation of that tool kit developed and distributed as the Component Object Manager. The approach is to separate the multiphysics capabilities from the underlying software integration constructs, and then to implement the multiphysics-specific capabilities on top of the general software integration infrastructure. A consortium of stakeholders is being assembled, along with an open website to facilitate distribution of the software and interaction be- tween the stakeholders. The Phase II project will extend and complete the infrastructure based on interaction with the consortium members, with the goal of developing a reference implementation for use by the community, and eventual standardization of multiphysics software construction inter- faces. Example applications and verification and validation problems for multiphysics use will also be constructed and distributed freely to provide evidence of the broad utility of the infrastructure. Commercial Applications and Other Benefits: An open standardized infrastructure will significantly enhance the ability of private sector users to leverage high-performance-computing modeling and simulation in their critical missions, at a fraction of the current cost. The benefits include increased realism, decreased time-to-solution, increased manufacturing capability, reduced manufacturing cost, and a decrease in the product design cycle. Integration-ready software encapsulating couple- ready models are the future of high-performance-computing-based modeling and simulation, and a key to maintaining national competitiveness.

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