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A New Computational Tool for Rapid Uncertainty and Sensitivity Analysis of Sodium Reactor Source Term
The Simplified Radionuclide Transport (SRT) code has been developed by Argonne National Laboratory to assist in mechanistic source term sensitivity and uncertainty analyses for sodium fast reactors.
Computational Tool Improves Predictions of Evaporation from Liquid Fuel Surfaces Informs Mitigation of Soot Emissions.
Abstract not provided.
Next-Generation Ion Thruster Design Tool
Computational tools that accurately predict the performance of electric propulsion devices are highly desirable and beneficial to NASA and the broader electric propulsion community. The current state of the art in electric propulsion modeling relies heavily on empirical data and numerous computational "knobs." In Phase I of this project, Tech-X Corporation developed the most detailed ion engine discharge chamber model that currently exists. This kinetic model simulates all particles in the discharge chamber along with a physically correct simulation of the electric fields. In addition, kinetic erosion models are included for modeling the ion-impingement effects on thruster component erosion. In Phase II, Tech-X developed a user-friendly computer program for NASA and other governmental and industry customers. Tech-X has implemented a number of advanced numerical routines to bring the computational time down to a commercially acceptable level. NASA now has a highly sophisticated, user-friendly ion engine discharge chamber modeling tool.
Component based development of computer-aided tools for different applications
Computer-aided methods and tools are used at different stages of chemical process development. However new tools are needed to meet the current and future challenges through innovative and more sustainable solutions that the currently available tools may not be able to provide. This work focuses on component-based software architecture for development of tailor-made computer-aided tools for specific application objectives. The architecture is based on “components”, which can be model-objects that are stored in a library; collection of property models; databases; numerical solvers; design-algorithms (work-flows) etc. Furthermore, the main idea of these components is to incorporate a plug & play framework, where for a specific purpose, after the work-flow and associated data-flow are established, a specific computer-aided tool can be configured through a library of software components. Also, through the use of software components that are based on predictive model-based solution techniques, the final software can be reliably used to provide innovative and more sustainable solutions over a wide range of problems.
Development of Advanced Computational Aeroelasticity Tools at NASA Langley Research Center
NASA Langley Research Center has continued to develop its long standing computational tools to address new challenges in aircraft and launch vehicle design. This paper discusses the application and development of those computational aeroelastic tools. Four topic areas will be discussed: 1) Modeling structural and flow field nonlinearities; 2) Integrated and modular approaches to nonlinear multidisciplinary analysis; 3) Simulating flight dynamics of flexible vehicles; and 4) Applications that support both aeronautics and space exploration.
Design and Analysis Tools for Supersonic Inlets
Computational tools are being developed for the design and analysis of supersonic inlets. The objective is to update existing tools and provide design and low-order aerodynamic analysis capability for advanced inlet concepts. The Inlet Tools effort includes aspects of creating an electronic database of inlet design information, a document describing inlet design and analysis methods, a geometry model for describing the shape of inlets, and computer tools that implement the geometry model and methods. The geometry model has a set of basic inlet shapes that include pitot, two-dimensional, axisymmetric, and stream-traced inlet shapes. The inlet model divides the inlet flow field into parts that facilitate the design and analysis methods. The inlet geometry model constructs the inlet surfaces through the generation and transformation of planar entities based on key inlet design factors. Future efforts will focus on developing the inlet geometry model, the inlet design and analysis methods, a Fortran 95 code to implement the model and methods. Other computational platforms, such as Java, will also be explored.
Teaching Computational Reproducibility for Neuroimaging
We describe a project-based introduction to reproducible and collaborative neuroimaging analysis. Traditional teaching on neuroimaging usually consists of a series of lectures that emphasize the big picture rather than the foundations on which the techniques are based. The lectures are often paired with practical workshops in which students run imaging analyses using the graphical interface of specific neuroimaging software packages. Our experience suggests that this combination leaves the student with a superficial understanding of the underlying ideas, and an informal, inefficient, and inaccurate approach to analysis. To address these problems, we based our course around a substantial open-ended group project. This allowed us to teach: (a) computational tools to ensure computationally reproducible work, such as the Unix command line, structured code, version control, automated testing, and code review and (b) a clear understanding of the statistical techniques used for a basic analysis of a single run in an MR scanner. The emphasis we put on the group project showed the importance of standard computational tools for accuracy, efficiency, and collaboration. The projects were broadly successful in engaging students in working reproducibly on real scientific questions. We propose that a course on this model should be the foundation for future programs in neuroimaging. We believe it will also serve as a model for teaching efficient and reproducible research in other fields of computational science.
Development of a New Data Tool for Computing Launch and Landing Availability with Respect to Surface Weather
The Marshall Space Flight Center Natural Environments Branch has a long history of expertise in the modeling and computation of statistical launch availabilities with respect to weather conditions. Their existing data analysis product, the Atmospheric Parametric Risk Assessment (APRA) tool, computes launch availability given an input set of vehicle hardware and/or operational weather constraints by calculating the climatological probability of exceeding the specified constraint limits, APRA has been used extensively to provide the Space Shuttle program the ability to estimate impacts that various proposed design modifications would have to overall launch availability. The model accounts for both seasonal and diurnal variability at a single geographic location and provides output probabilities for a single arbitrary launch attempt. Recently, the Shuttle program has shown interest in having additional capabilities added to the APRA model, including analysis of humidity parameters, inclusion of landing site weather to produce landing availability, and concurrent analysis of multiple sites, to assist in operational landing site selection. In addition, the Constellation program has also expressed interest in the APRA tool, and has requested several additional capabilities to address some Constellation-specific issues, both in the specification and verification of design requirements and in the development of operations concepts. The combined scope of the requested capability enhancements suggests an evolution of the model beyond a simple revision process. Development has begun for a new data analysis tool that will satisfy the requests of both programs. This new tool, Probabilities of Atmospheric Conditions and Environmental Risk (PACER), will provide greater flexibility and significantly enhanced functionality compared to the currently existing tool.
COMDES-MELT: A Turbofan Engine Icing Risk Analysis Tool, User’s Manual
The computational tool COMDES-MELT was developed to predict the susceptibility of turbofan engines to ice accretion when flying in an ice crystal environment. COMDES-MELT is a first-generation computational tool that can estimate the conditions at which the accretion of ice can occur, location within the turbofan engine compression system, and at which engine operating points within the flight trajectory. This is accomplished by tracking the parameters of static wet bulb temperature, ice particle melt ratio, and the ice-water to airflow rates ratio as ice crystals are ingested into the engine compression system. It has been used successfully to predict engine operating points for simulation in an altitude wind tunnel with ice crystal ingestion. These engine tests occur in a simulated ice crystal cloud environment. This predictive analysis has been used to generate the test matrix in preparation for tests in the Propulsion Systems Laboratory, an altitude test facility at the NASA Glenn Research Center. Furthermore, due to the speed of the code during an engine icing test, adjustments to the test matrix can be provided to the test engineer in real time to focus on a particular area of ice accretion susceptibility. The use of the COMDES-MELT code will be examined in this manual.
Nuclear Science User Facilities High Performance Computing: Provide a Science Gateway for HPC Users
Idaho National Laboratory (INL), supported by the Department of Energy Office of Nuclear Energy (DOE-NE) through the Nuclear Science User Facilities (NSUF), provides direct access to the Barracuda Virtual Reactor and 18 Multiphysics Object-Oriented Simulation Environment (MOOSE) applications via a web-based science gateway developed using Open Ondemand on the INL high performance computing (HPC) systems. This gateway features the computational tools of the Nuclear Computational Resource Center (NCRC) and the computing resources of the INL high performance computing systems. These computational tools are a key foundation of collaboration and innovation in nuclear energy systems research. High performance computing resources and INL staff directly support the mission and objectives of DOE-NE. The Barracuda Virtual Reactor was the first science gateway deployed in Jan 2021 to support NSUF users. In July 2021, the science gateway was expanded to support access to NCRC codes for use across all supported INL HPC systems. The HPC science gateway currently supports 20 total applications. The gateway also includes access to training resources specific to NCRC tools.
High Performance Computing Systems Tools, Visualization, and Management
High Performance Computing (HPC) systems are complex setups of servers, storage devices, network switches, and cables that are specifically designed to accommodate hundreds of users running highly computationally intensive applications at a time. These applications require numerous softwares, licenses, and various levels of storage as well. All of these resources must be monitored and managed by HPC administrators, which presents a daunting task. In this project, I created numerous software tools as part of an HPC Visualization and Management system, which is now used by HPC administrators on a daily basis.
Computationally evaluating high-yield metabolites for sustainable aviation fuel (SAF) using machine learning
The computational tool described in this report helps identify promising biological pathways that produce SAF platform molecules (either a drop-in SAF, or a precursor that can be easily converted to a drop-in SAF). The workflow the computational tool follows first identifies possible biological pathways from a user-defined metabolite. These pathways may, or may not lead to a SAF platform molecule, thus the second step involves insilico testing of the end product of each pathway to assess whether it is, or is not, a SAF platform molecule. The identification of biological pathways performed in the first step is facilitated by linking the metabolite to a biological reaction database. Pathways are found by identifying pathways in the reaction database that include the metabolite. The computational tool includes an alternative way to find pathways. The alternative way develops a Flux Balanced Analysis (FBA), and modifying the FBA to include reactions that transform the metabolite. These modifications serve as a basis for understanding, in a semi-quantitative way, if there is an increase in the flux to desirable products. The second step, in silico testing of the end-products, is accomplished by estimating key physical properties relevant to SAF. When good models are available, we have integrated those models into the computational tool. In a few instances, we have developed our own models. In all instances, we have validated the models against available measured data. Finally, we have evaluated the effectiveness of our computational tool by genetically engineering Rhodosporidium toruloides. Validation occurred without the use of a FBA, and further validation is required.
Development of Experimental and Computational Aeroacoustic Tools for Advanced Liner Evaluation
Acoustic liners in aircraft engine nacelles suppress radiated noise. Therefore, as air travel increases, increasingly sophisticated tools are needed to maximize noise suppression. During the last 30 years, NASA has invested significant effort in development of experimental and computational acoustic liner evaluation tools. The Curved Duct Test Rig is a 152-mm by 381- mm curved duct that supports liner evaluation at Mach numbers up to 0.3 and source SPLs up to 140 dB, in the presence of user-selected modes. The Grazing Flow Impedance Tube is a 51- mm by 63-mm duct currently being fabricated to operate at Mach numbers up to 0.6 with source SPLs up to at least 140 dB, and will replace the existing 51-mm by 51-mm duct. Together, these test rigs allow evaluation of advanced acoustic liners over a range of conditions representative of those observed in aircraft engine nacelles. Data acquired with these test ducts are processed using three aeroacoustic propagation codes. Two are based on finite element solutions to convected Helmholtz and linearized Euler equations. The third is based on a parabolic approximation to the convected Helmholtz equation. The current status of these computational tools and their associated usage with the Langley test rigs is provided.
Applications of Parallel Process HiMAP for Large Scale Multidisciplinary Problems
HiMAP is a three level parallel middleware that can be interfaced to a large scale global design environment for code independent, multidisciplinary analysis using high fidelity equations. Aerospace technology needs are rapidly changing. Computational tools compatible with the requirements of national programs such as space transportation are needed. Conventional computation tools are inadequate for modern aerospace design needs. Advanced, modular computational tools are needed, such as those that incorporate the technology of massively parallel processors (MPP).
Shuttle Debris Impact Tool Assessment Using the Modern Design of Experiments
Computational tools have been developed to estimate thermal and mechanical reentry loads experienced by the Space Shuttle Orbiter as the result of cavities in the Thermal Protection System (TPS). Such cavities can be caused by impact from ice or insulating foam debris shed from the External Tank (ET) on liftoff. The reentry loads depend on cavity geometry and certain Shuttle state variables, among other factors. Certain simplifying assumptions have been made in the tool development about the cavity geometry variables. For example, the cavities are all modeled as shoeboxes , with rectangular cross-sections and planar walls. So an actual cavity is typically approximated with an idealized cavity described in terms of its length, width, and depth, as well as its entry angle, exit angle, and side angles (assumed to be the same for both sides). As part of a comprehensive assessment of the uncertainty in reentry loads estimated by the debris impact assessment tools, an effort has been initiated to quantify the component of the uncertainty that is due to imperfect geometry specifications for the debris impact cavities. The approach is to compute predicted loads for a set of geometry factor combinations sufficient to develop polynomial approximations to the complex, nonparametric underlying computational models. Such polynomial models are continuous and feature estimable, continuous derivatives, conditions that facilitate the propagation of independent variable errors. As an additional benefit, once the polynomial models have been developed, they require fewer computational resources to execute than the underlying finite element and computational fluid dynamics codes, and can generate reentry loads estimates in significantly less time. This provides a practical screening capability, in which a large number of debris impact cavities can be quickly classified either as harmless, or subject to additional analysis with the more comprehensive underlying computational tools. The polynomial models also provide useful insights into the sensitivity of reentry loads to various cavity geometry variables, and reveal complex interactions among those variables that indicate how the sensitivity of one variable depends on the level of one or more other variables. For example, the effect of cavity length on certain reentry loads depends on the depth of the cavity. Such interactions are clearly displayed in the polynomial response models.
A method and tool to determine the colorimetric and photobiological properties of light transmitted through glass and other optical materials
Here we describe a framework and provides a computational tool to characterize the color quality and biological potential of light that is transmitted through glass and other optical materials. The IES TM-30 framework and Excel computation tool were adapted to evaluate color quality, with measures from CIE S 026, UL 24480, and the WELL Building Standard v2 added to evaluate biological potential. The user selects a pre-transmittance spectral power distribution (SPD), such as for a CIE D-Series Illuminant, Planckian radiation, electric lamp, or measurement of daylight at a building site. The tool allows a user to populate a database with spectral data for glazing or other optical materials, comprising spectral transmission and the spectral reflectance of both sides. The user creates a unit with one, two, or three panes of glazing or other optical materials, and the tool calculates the composite spectral transmittance accounting for reflections between materials. The tool computes the transmitted SPD, then determines colorimetric and photobiological outputs using the transmitted SPD as the test source. Glass, window, and skylight manufacturers can employ the tool to optimize glazing spectral transmission to achieve intentional colorimetric and photobiological performance with transmitted light. Electric lighting manufacturers, designers, and researchers can use the tool to evaluate the impact of glazing units and other optical materials on the color quality and biological potential of transmitted light.
BisQue for 3D Materials Science in the Cloud: Microstructure–Property Linkages
Accelerating the design and development of new advanced materials is one of the priorities in modern materials science. These efforts are critically dependent on the development of comprehensive materials cyber-infrastructures which enable effcient data storage, management, sharing, and collaboration as well as integration of computational tools that help establish processing{structure{property relationships. In this contribution, we present implementation of such computational tools into a cloud-based platform called BisQue (Kvilekval et al., 2010). We first describe the current state of BisQue as an open-source platform for multidisciplinary research in the cloud and its potential for 3D materials science. We then demonstrate how new computational tools, primarily aimed at processing{structure{property relationships, can be implemented into the system. Speci cally, in this work, we develop a module for BisQue that enables microstructure-sensitive predictions of effective yield strength of two-phase materials. Towards this end, we present an implementation of a computationally effcient data-driven model into the BisQue platform. The new module is made available online and can be used from a web browser without any special software and with minimal computational requirements on the user end. The capabilities of the module for rapid property screening are demonstrated in case studies with two different methodologies based on datasets containing 3D microstructure information from (i) synthetic generation and (ii) sampling large 3D volumes obtained in experiments.