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Army Computational Workbench Environment Incineration is one of the technologies being used by the US Army to destroy the highly toxic chemical agents and munitions contained within the Chemical Weapons Stockpile. Reaction Engineering International (REI) is developing advanced computer simulation tools for analyzing chemical demilitarization incinerators. Reaction Engineering's Chemical Incineration Project In our DOD Army Chemical Incineration project, Reaction Engineering International (REI) is developing a computational workbench that will provide a framework for integrating the range of models and visualization methods that will be required to perform simulations to analyze the performance and emissions from military incinerator units under a broad range of operating conditions and configurations for different munitions and storage containers. The workbench is being developed as a tightly integrated problem solving environment, with plug and play functionality, that contains an array of tools and models that communicate in a seamless manner. The workbench is designed for use by the non-specialist and provides the capability to interrogate a simulation at multiple levels of detail. The models used within the incinerator simulations provide the researcher with detailed information on the local gas properties, such as gas temperature, species concentrations (e.g., oxygen, agent, combustion products, products of incomplete combustion), pressure, etc. Likewise, the models also provide detailed information on the surface temperatures and heat fluxes to the furnace walls and munitions within the incinerator. The information provided by the simulations can be used to develop a deeper level of understanding of the combustion process, agent destruction and product species concentrations when processing munitions or equipment containing, or contaminated by, GB, VX and mustard. The models also provide the ability to study a wide range of “what if” scenarios for both baseline operation and upset conditions. Problem Solving Environment The workbench is being constructed using the SCIRun software system. SCIRun is a continuously evolving product of the Scientific and Computational Imaging group, headed by Prof. Chris Johnson, in the Department of Computer Science at the University of Utah (UU/SCI). From inception, SCIRun has been designed in an object-oriented manner with the intent of supporting interdisciplinary projects in which High Performance Computing (HPC) models are needed. SCIRun places no inherent limitations on the physics, numerical technique or programming language used within a model. SCIRun supports component-based software techniques and allows for distributed computing. In addition to these capabilities, SCIRun also includes sophisticated scientific visualization functionality.
Scientific Visualization For the comprehensive models included in the workbench which calculate three-dimensional scalar and vector fields, the workbench provides a number of options to visualize these data sets. First, the data can be visualized using the inherent capabilities of SCIRun. Second, the data can be viewed using OpenDX, which we have coupled directly to the workbench. Third, the data can be viewed using a VTK-based toolset, which again has been tightly integrated with the workbench. For Virtual Reality visualization on a range of display hardware, we are currently integrating the capabilities of Iowa State University's VRAC Explorer. Additional information on these various visualization techniques and packages can be found here. Acknowledgement
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