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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Sustainable Immersive Visualization: A Tale of Two Visualization Labs

For large-scale immersive installations, sustainability is a challenge. This talk presents a comparative analysis of two immersive visualization laboratories, each following distinct trajectories. At the core of this discussion lies the question of what has made the NREL ESIF Insight Center a sustainable success for the last decade. Our examination encompasses three pivotal ingredients: the right funding model, the right usage model, and demonstrating added value.

funding model↗
DOE OSTI2021

Pro‐ L * ‐ A Probabilistic L * Mapping Tool for Ground Observations

Abstract Both ground and space observations are used extensively in the modeling of space weather processes within the Earth’s magnetosphere. In radiation belt physics modeling, one of the key phase‐space coordinates is L *, which indicates the location of the drift paths of energetic electrons. Global magnetic field models allow a subset of locations on the ground (mainly subauroral) to be mapped along field lines to a location in space and transformed into L *, provided that the initial ground location maps to a closed drift path. This allows observations from ground, or low‐altitude space‐based platforms to be mapped into space in order to inform radiation belt modeling. Many data‐based magnetic field models exist; however, these models can significantly disagree on mapped L * values for a single point on the ground, during both quiet times and storms. We present a state of the art probabilistic L * mapping tool, Pro‐ L *, which produces probability distributions for L * corresponding to a given ground location. Pro‐ L * has been calculated for a high resolution magnetic latitude by magnetic local time grid in the Earth’s Northern Hemisphere. We have developed the probabilistic model using 11 years of L * calculations for seven widely used magnetic field models. Usage of the tool is highlighted for both event studies and statistical models, and we demonstrate a number of potential applications.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

An out-of-distribution-aware autoencoder model for reduced chemical kinetics

While detailed chemical kinetic models have been successful in representing rates of chemical reactions in continuum scale computational fluid dynamics (CFD) simulations, applying the models in simulations for engineering device conditions is computationally prohibitive. To reduce the cost, data-driven methods, e.g., autoencoders, have been used to construct reduced chemical kinetic models for CFD simulations. Despite their success, data-driven methods rely heavily on training data sets and can be unreliable when used in out-of-distribution (OOD) regions (i.e., when extrapolating outside of the training set). In this paper, we present an enhanced autoencoder model for combustion chemical kinetics with uncertainty quantification to enable the detection of model usage in OOD regions, and thereby creating an OOD-aware autoencoder model that contributes to more robust CFD simulations of reacting flows.Here, we first demonstrate the effectiveness of the method in OOD detection in two well-known datasets, MNIST and Fashion-MNIST, in comparison with the deep ensemble method, and then present the OOD-aware autoencoder for reduced chemistry model in syngas combustion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Digitizing Today’s Buildings in the Real World: Lessons from Field Demonstrations

Digital twins, created by generating a virtual replica of a building, enable safe evaluation of operational scenarios and applications like fault detection and diagnosis and advanced controls. However, a prerequisite is the creation of a machine-readable digital representation of a building, currently hindered by fragmented information scattered across mechanical drawings, point lists, and natural language sequences. As a result, digital twin development remains labor-intensive, error-prone, and difficult to validate. To address these challenges, two efforts from ASHRAE aim to support the digitalization of buildings. ASHRAE s223 establishes a semantic model of buildings, representing system components, configuration, and data sources. ASHRAE s231 defines a vendor-neutral programming language for expressing their control logic. As the industry evaluates implementing them in their products, understanding the challenges that vendors and implementers may face is crucial. In this paper, we present findings and lessons learned from field demonstrations in five buildings that implemented control applications using ASHRAE s223 and s231. The demonstrations highlight how semantic modeling and formalized control descriptions can significantly reduce software development time, manual point mapping, and hard-coding. Beyond time efficiency, they enable reliable automation by minimizing human interpretation and providing a means for consistency across projects. We describe the processes and best practices for model creation and model usage, from translating heterogeneous building documentation into semantic representations to implementing control logic in real-world systems. Finally, we discuss the challenges that persist, including integration with legacy software environments, gaps in interoperability, and the level of expertise still required to effectively leverage semantic models.

Prakash, Anand Krishnan↗
DOE OSTI2024

A Framework for Integrating Quantum Simulation and High Performance Computing

Scientific applications are starting to explore the viability of quantum computing. This exploration typically begins with quantum simulations that can run on existing classical platforms, albeit without the performance advantages of real quantum resources. In the context of high-performance computing (HPC), the incorporation of simulation software can often take advantage of the powerful resources to help scale-up the simulation size. The configuration, installation and operation of these quantum simulation packages on HPC resources can often be rather daunting and increases friction for experimentation by scientific application developers. We describe a framework to help streamline access to quantum simulation software running on HPC resources. This includes an interface for circuit-based quantum computing tasks, as well as the necessary resource management infrastructure to make effective use of the underlying HPC resources. The primary contributions of this work include a classification of different usage models for quantum simulation in an HPC context, a review of the software architecture for our approach and a detailed description of the prototype implementation to experiment with these ideas using two different simulators (TNQVM & NWQ-Sim). We include initial experimental results running on the Frontier supercomputer at the Oak Ridge Leadership Computing Facility (OLCF) using a synthetic workload generated via the SupermarQ quantum benchmarking framework.

Shehata, Amir [ORNL] (ORCID:0000000224531426)↗
NASA NTRS1994

Scientific Computing Paradigm

The usage model of supercomputers for scientific applications, such as computational fluid dynamics (CFD), has changed over the years. Scientific visualization has moved scientists away from looking at numbers to looking at three-dimensional images, which capture the meaning of the data. This change has impacted the system models for computing. This report details the model which is used by scientists at NASA's research centers.

VanZandt, John↗
NASA NTRS2003

Data-Mining Toolset Developed for Determining Turbine Engine Part Life Consumption

The current practice in aerospace turbine engine maintenance is to remove components defined as life-limited parts after a fixed time, on the basis of a predetermined number of flight cycles. Under this schedule-based maintenance practice, the worst-case usage scenario is used to determine the usable life of the component. As shown, this practice often requires removing a part before its useful life is fully consumed, thus leading to higher maintenance cost. To address this issue, the NASA Glenn Research Center, in a collaborative effort with Pratt & Whitney, has developed a generic modular toolset that uses data-mining technology to parameterize life usage models for maintenance purposes. The toolset enables a "condition-based" maintenance approach, where parts are removed on the basis of the cumulative history of the severity of operation they have experienced. The toolset uses data-mining technology to tune life-consumption models on the basis of operating and maintenance histories. The flight operating conditions, represented by measured variables within the engine, are correlated with repair records for the engines, generating a relationship between the operating condition of the part and its service life. As shown, with the condition-based maintenance approach, the lifelimited part is in service until its usable life is fully consumed. This approach will lower maintenance costs while maintaining the safety of the propulsion system. The toolset is a modular program that is easily customizable by users. First, appropriate parametric damage accumulation models, which will be functions of engine variables, must be defined. The tool then optimizes the models to match the historical data by computing an effective-cycle metric that reduces the unexplained variability in component life due to each damage mode by accounting for the variability in operational severity. The damage increment due to operating conditions experienced during each flight is used to compute the effective cycles and ultimately the replacement time. Utilities to handle data problems, such as gaps in the flight data records, are included in the toolset. The tool was demonstrated using the first stage, high-pressure turbine blade of the PW4077 engine (Pratt & Whitney, East Hartford, CT). The damage modes considered were thermomechanical fatigue and oxidation/erosion. Each PW4077 engine contains 82 first-stage, high-pressure turbine blades, and data from a fleet of engines were used to tune the life-consumption models. The models took into account not only measured variables within the engine, but also unmeasured variables such as engine health parameters that are affected by degradation of the engine due to aging. The tool proved effective at predicting the average number of blades scrapped over time due to each damage mode, per engine, given the operating history of the engine. The customizable tools are available to interested parties within the aerospace community.

Litt, Jonathan S.↗
NASA NTRS2004

In-flight propulsion system characterization for both Mars Exploration Rover Spacecraft

Two Mars Exploration Rover spacecraft were dispensed to red planet in 2003, culminating in a phenomenally successful prime science mission. Twin cruise stage propulsion systems were developed in record time, largely through heritage with Mars Pathfinder. As expected, consumable usage was minimal during the short seven-month cruise for both spacecraft. Propellant usage models based on pressure and temperature agreed with throughput models with in a few percent. Trajectory correction maneuver performance was nominal, allowing the cancellation of near-Mars maneuvers. Spin thruster delivered impulse was 10-12% high vs. ground based models for the intial spin-down maneuvers, while turn performance was XX-XX% high/low vs. expectations. No clear indications for pressure transducer drift were noted during the brief MER missions.

maneuvers↗
DOE OSTI2021

The Microstructure Aware Plasticity Model: Formulation and Usage Guide

Herein, the formulation, parameter sensitivities, and usage methods for the Microstructure-Aware Plasticity (MAP) model are presented. This document is intend to serve as a reference for the underlying theory that constitutes the MAP model and as a practical guide for analysts and future developers on how aspects of this material model influence generalized mechanical behavior.

42 ENGINEERING↗
NASA NTRSDate not supplied

Extravehicular Mobility Unit System-Level Model (SINDA EMU) Usage for Operational Mitigations in Support of US EVA 80

During United States Extravehicular Activity 80 (US EVA 80), water was observed in the helmet of an Extravehicular Mobility Unit (EMU) during cabin repressurization. Through a comparative analysis and Test, Teardown, and Evaluation (TT&E) of this EMU, the most likely cause of the US EVA 80 water failure was determined to be sublimator carryover caused by a comparatively high latent load (water vapor production by the crewmember). High latent load can be reduced by the crewmember adjusting the thermal control valve (TCV) setting on the EMU to prevent the onset of significant sweating. To reduce the risk of high latent load leading to water in the helmet, a potential warning system was developed using the Systems Improved Numerical Differencing Analyzer EMU model (SINDA EMU). The goal of this warning system is to alert the crewmember when they are producing a high latent load and recommend adjustment of the TCV to increase cooling. This warning system was designed to ensure high risk conditions are avoided while simultaneously preventing a system that warns the crewmember too frequently. Theoretical tests of the warning system through modeling calculated that if the warning system were used during US EVA 80, the total latent load could have been reduced by up to 33% which would have significantly reduced the risk of water in the helmet. This analysis also investigated the effectiveness of the warning system on EVAs that occurred after US EVA 80.

Noah Andersen↗
NASA NTRS1987

Computer-based phosphoric acid fuel cell analytical tools Descriptions and usages

Simulation models have been developed for the prediction of phosphoric acid fuel cell (PAFC) powerplant system performance under both transient and steady operation conditions, as well as for the design of component configurations and for optimal systems synthesis. These models, which are presently computer-implemented, are an engineering and a system model; the former being solved by the finite difference method to determine the balances and properties of different sections, and the latter using thermodynamic balances to set up algebraic equations that yield physical and chemical properties of the stream for one operating condition.

Lu, C.↗
DOE OSTI2022

Quantifying shifts in natural selection on codon usage between protein regions: a population genetics approach

Codon usage bias (CUB), the non-uniform usage of synonymous codons, occurs across all domains of life. Adaptive CUB is hypothesized to result from various selective pressures, including selection for efficient ribosome elongation, accurate translation, mRNA secondary structure, and/or protein folding. Given the critical link between protein folding and protein function, numerous studies have analyzed the relationship between codon usage and protein structure. The results from these studies have often been contradictory, likely reflecting the differing methods used for measuring codon usage and the failure to appropriately control for confounding factors, such as differences in amino acid usage between protein structures and changes in the frequency of different structures with gene expression. Here we take an explicit population genetics approach to quantify codon-specific shifts in natural selection related to protein structure in S. cerevisiae and E. coli. Unlike other metrics of codon usage, our approach explicitly separates the effects of natural selection, scaled by gene expression, and mutation bias while naturally accounting for a region’s amino acid usage. Bayesian model comparisons suggest selection on codon usage varies only slightly between helix, sheet, and coil secondary structures and, similarly, between structured and intrinsically-disordered regions. Similarly, in contrast to previous findings, we find selection on codon usage only varies slightly at the termini of helices in E. coli. Using simulated data, we show this previous work indicating “non-optimal” codons are enriched at the beginning of helices in S. cerevisiae was due to failure to control for various confounding factors (e.g. amino acid biases, gene expression, etc.), and rather than selection to modulate cotranslational folding. Our results reveal a weak relationship between codon usage and protein structure, indicating that differences in selection on codon usage between structures are slight. In addition to the magnitude of differences in selection between protein structures being slight, the observed shifts appear to be idiosyncratic and largely codon-specific rather than systematic reversals in the nature of selection. Overall, our work demonstrates the statistical power and benefits of studying selective shifts on codon usage or other genomic features from an explicitly evolutionary approach. Limitations of this approach and future potential research avenues are discussed.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Internship Final Report on the unsupervised learning sensor fusion (ULSF) approach

This paper describes a summer internship project undertaken at Sandia National Labs (SNL), both current status and future work. The project was to explore various machine learning approaches for use on turbulent flow data. Specifically, unsupervised classification of turbulent flow data was explored. First, the usage of models in this field is discussed, and several issues in the common usage of the models are identified. Solutions to these issues are then proposed, in the form of a Bayesian filtering approach which probabilistically incorporates multiple sources of data to improve confidence in a result. Several types of sensors are suggested for this method, the incorporation of which range from semi-supervised learning approaches to fully unsupervised. These approaches are then tested on several turbulent flow cases.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1999

The Identification and Modeling of Visual Cue Usage in Manual Control Task Experiments

Many fields of endeavor require humans to conduct manual control tasks while viewing a perspective scene. Manual control refers to tasks in which continuous, or nearly continuous, control adjustments are required. Examples include flying an aircraft, driving a car, and riding a bicycle. Perspective scenes can arise through natural viewing of the world, simulation of a scene (as in flight simulators), or through imaging devices (such as the cameras on an unmanned aerospace vehicle). Designers frequently have some degree of control over the content and characteristics of a perspective scene; airport designers can choose runway markings, vehicle designers can influence the size and shape of windows, as well as the location of the pilot, and simulator database designers can choose scene complexity and content. Little theoretical framework exists to help designers determine the answers to questions related to perspective scene content. An empirical approach is most commonly used to determine optimum perspective scene configurations. The goal of the research effort described in this dissertation has been to provide a tool for modeling the characteristics of human operators conducting manual control tasks with perspective-scene viewing. This is done for the purpose of providing an algorithmic, as opposed to empirical, method for analyzing the effects of changing perspective scene content for closed-loop manual control tasks.

Sweet, Barbara Townsend↗
NASA NTRS1985

Initial investigation of cryogenic wind tunnel model filler materials

Various filler materials are being investigated for applicability to cryogenic wind tunnel models. The filler materials will be used to fill surface grooves, holes and flaws. The severe test environment of cryogenic models precludes usage of filler materials used on conventional wind tunnel models. Coefficients of thermal expansion, finishing characteristics, adhesion and stability of several candidate filler materials were examined. Promising filler materials are identified.

Rush, H. F.↗
DOE OSTI2021

New developments including X-ray standing waves in the dynamical Bragg diffraction program of X-ray Server

X-ray Server (https://x-server.gmca.aps.anl.gov) is a collection of programs for online modelling of X-ray diffraction and scattering. Additionally, the dynamical diffraction program is the second most popular Server program, contributing 34% of total Server usage. It models dynamical X-ray diffraction from strained crystals and multilayers for any Bragg-case geometry including grazing incidence and exit. This paper reports on a revision of equations used by the program, which yields ten times faster calculations in most use cases, on implementing calculations of X-ray standing waves and on adding new options for modelling diffraction from monolayers.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Development of the IES Plug-and-Play Framework

This report discusses the status of the flexible plug-and-play framework development currently ongoing that aims to integrate Modelica/Dymola with the Risk Analysis and Virtual ENvironment (RAVEN) software in terms of both Functional Mock-Up Interface (FMI)/Functional Mock-Up Unit (FMU) construction and repository structures that aim to ease the sharing and simulation of complex dynamic models. This report aims to provide an overview of all the performed activities resolving around the deployment of methods, software infrastructures, guidelines and workflow for the construction and usage of models, encapsulated using the FMI/FMU protocols and standards. In particular, the report is organized in three main macro-subjects, which are connected to each other: - FMI/FMU adaptors for modelica models - HYBRID repository new structure and open-source deployment - RAVEN FMI/FMU exporting capabilities and Artificial Intelligence (AI)-based analysis acceleration. The first part of the report discusses the FMI/FMU adaptors that have been created within the HYBRID repository to allow users to quickly export models, such as FMUs. Several examples are shown that highlight the step-by-step process of converting an existing Modelica model into an FMU for use within the Dymola platform. Simulation results demonstrate that, while minor differences may occur, the overall control, trends, and solution integrity are maintained between standard Modelica simulation and FMU simulation results. However, it is worth noting that, for small systems, the FMU results have a slower simulation time than the Modelica only simulation. Using this process, a company can provide models that contain proprietary information to entities without disclosing any of the information about the model that could be considered business sensitive. Such an ability would allow institutions to bypass the necessity of “whitewashing” data. In the second part of the report, the new structure of the HYBRID repository is discussed with a major focus on the series of updates that has been completed. These updates include the addition of Modelica system-level regression tests and software quality assurance documentation that ensure that modifications to the Modelica models do not alter system-level model results. The third and final part of the report aims to report the work that has been performed for the deployment of methods and workflows for the construction of RAVEN AI-based models compliant with the FMI/FMU standard. Such development represents the key for the deployment of the concept of “Flexible ecosystem” since it allows for the replacement of high-fidelity modelica models (or any other FMI/FMU compliant model) with RAVEN generated AI surrogate models. Overall, extensive work has been completed on developing FMUs and FMIs from existing models, understanding the requirements and limitations of FMUs, and open-sourcing the HYBRID repository with an integrated regression system.

42 ENGINEERING↗