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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

Probabilistic simulation of uncertainties in thermal structures

Development of probabilistic structural analysis methods for hot structures is a major activity at NASA-Lewis, and consists of five program elements: (1) probabilistic loads, (2) probabilistic finite element analysis, (3) probabilistic material behavior, (4) assessment of reliability and risk, and (5) probabilistic structural performance evaluation. Attention is given to quantification of the effects of uncertainties for several variables on High Pressure Fuel Turbopump blade temperature, pressure, and torque of the Space Shuttle Main Engine; the evaluation of the cumulative distribution function for various structural response variables based on assumed uncertainties in primitive structural variables; evaluation of the failure probability; reliability and risk-cost assessment; and an outline of an emerging approach for eventual hot structures certification. Collectively, the results demonstrate that the structural durability/reliability of hot structural components can be effectively evaluated in a formal probabilistic framework. In addition, the approach can be readily extended to computationally simulate certification of hot structures for aerospace environments.

Chamis, C. C.↗
NASA NTRS1995

Nonlinear Fluid Computations in a Distributed Environment

The performance of a loosely and tightly-coupled workstation cluster is compared against a conventional vector supercomputer for the solution the Reynolds- averaged Navier-Stokes equations. The application geometries include a transonic airfoil, a tiltrotor wing/fuselage, and a wing/body/empennage/nacelle transport. Decomposition is of the manager-worker type, with solution of one grid zone per worker process coupled using the PVM message passing library. Task allocation is determined by grid size and processor speed, subject to available memory penalties. Each fluid zone is computed using an implicit diagonal scheme in an overset mesh framework, while relative body motion is accomplished using an additional worker process to re-establish grid communication.

Atwood, Christopher A.↗
NASA NTRS1994

Cluster Computation of Flight Reynolds Number Flows

The performance of a workstation cluster used for the solution of the Reynolds-averaged Navier-Stokes equations is compared with a conventional vector supercomputer architecture. The application simulation of the steady flowfield about a transonic transport was computed using an implicit diagonal scheme in an overset mesh framework. Static load balancing was used, while coarse grain decomposition was achieved by solution of a grid zone per processor. Price/performance ratios are estimated for several scenarios in which such clusters may be utilized.

Atwood, Christopher A.↗
NASA NTRS1998

Towards a Theory for Integration of Mathematical Verification and Empirical Testing

From the viewpoint of a project manager responsible for the V&V (verification and validation) of a software system, mathematical verification techniques provide a possibly useful orthogonal dimension to otherwise standard empirical testing. However, the value they add to an empirical testing regime both in terms of coverage and in fault detection has been difficult to quantify. Furthermore, potential cost savings from replacing testing with mathematical verification techniques cannot be realized until the tradeoffs and synergies can be formulated. Integration of formal verification with empirical testing is also difficult because the idealized view of mathematical verification providing a correctness proof with total coverage is unrealistic and does not reflect the limitations imposed by computational complexity of mathematical techniques. This paper first describes a framework based on software reliability and formalized fault models for a theory of software design fault detection - and hence the utility of various tools for debugging. It then describes a utility model for integrating mathematical and empirical techniques with respect to fault detection and coverage analysis. It then considers the optimal combination of black-box testing, white-box (structural) testing, and formal methods in V&V of a software system. Using case studies from NASA software systems, it then demonstrates how this utility model can be used in practice.

Lowry, Michael↗
NASA NTRS2003

Computational Aspects of Data Assimilation and the ESMF

The scientific challenge of developing advanced data assimilation applications is a daunting task. Independently developed components may have incompatible interfaces or may be written in different computer languages. The high-performance computer (HPC) platforms required by numerically intensive Earth system applications are complex, varied, rapidly evolving and multi-part systems themselves. Since the market for high-end platforms is relatively small, there is little robust middleware available to buffer the modeler from the difficulties of HPC programming. To complicate matters further, the collaborations required to develop large Earth system applications often span initiatives, institutions and agencies, involve geoscience, software engineering, and computer science communities, and cross national borders.The Earth System Modeling Framework (ESMF) project is a concerted response to these challenges. Its goal is to increase software reuse, interoperability, ease of use and performance in Earth system models through the use of a common software framework, developed in an open manner by leaders in the modeling community. The ESMF addresses the technical and to some extent the cultural - aspects of Earth system modeling, laying the groundwork for addressing the more difficult scientific aspects, such as the physical compatibility of components, in the future. In this talk we will discuss the general philosophy and architecture of the ESMF, focussing on those capabilities useful for developing advanced data assimilation applications.

daSilva, A.↗
NASA NTRS2018

Application of Lattice Boltzmann and Navier-Stokes Methods to NASA's Wall Mounted Hump

Lattice Boltzmann (LB) based Large Eddy Simulation (LES), Reynolds-averaged Navier-Stokes (RANS) as well as hybrid RANS/LES methods within the Launch Ascent and Vehicle Aerodynamics (LAVA) solver framework are applied to NASA's wall-mounted hump. Computational results are compared with experiments performed by Greenblatt et al. A detailed comparison between the accuracy and resolution requirements of the two approaches for turbulence resolving simulations, as well as the suitability of different grid paradigms (body-fitted curvilinear and block structured Cartesian) are presented. This test case is part of NASA's Revolutionary Computational Aerosciences (RCA) sub-project which addresses the technical challenge of predicting flow separation and reattachment accurately. Improvements in predictive accuracy by as much as 90% are demonstrated using LB as well as hybrid RANS/LES approaches compared to state-of-the-art steady state RANS simulations.

Lattice Boltzmann↗
NASA NTRSDate not supplied

NASA’s Advance Information Systems Technology (AIST) Program

NASA’s Earth Science Technology Office (ESTO) develops early-stage technologies to enhance scientific understanding. ESTO’s technologies can be reliably and confidently applied to a broad range of science measurements and missions, as well as facilitate practical applications to benefit society at large. As the lead technology office within the Earth Science Division of the NASA Science Mission Directorate, ESTO is focused on the technological challenges inherent to space-based investigations of our planet's dynamic, interrelated systems. Through flexible, science-driven technology strategies and a competitive selection process, ESTO-funded technologies have supported numerous Earth science missions as well as commercial applications. From next generation sensors and instruments to communication and information systems, ESTO technologies enable many NASA missions and data services. The Advanced Information Systems Technology (AIST) Program is one focal area of ESTO. AIST innovates information system technologies that enable the development of new observing systems as well as agile science investigations through data analytics and artificial intelligence tools and algorithms. AIST utilizes an end-to-end development approach with the goal of infusing mature technologies into future missions, measurements, and analysis. One thrust of AIST is data exploitation and analysis using an analytic center framework to make observational data and model output more accessible and usable to scientists conducting specific investigations as well as to extract higher-level science content and information from the data. The framework accelerates scientific discovery by harmonizing the data, tools, and computational resources. NASA’s upcoming Surface, Biology and Geology (SBG) mission is one such mission whose data architecture will leverage many of the technologies developed through the AIST program. This talk will highlight current and future program development goals.

Laura Rogers↗
NASA NTRSDate not supplied

Evaluation of User Experience of Self-Scheduling Software for Astronauts: Defining a Satisfaction Baseline

As NASA turns its sights to deep-space exploration, a greater focus on sup-porting crew autonomy has led to the development of Playbook, a self-scheduling software tool. Evaluating the user satisfaction of Playbook is essential in ensuring its usability for critical spaceflight operations. Satisfaction of an interface is often quantified with attitude surveys, such as the User Experience Questionnaire (UEQ). This paper demonstrates an application of the UEQ in comparing the user experience of Playbook interface de-signs for displaying graphical data. We lay the foundation for future user experience comparisons by defining a satisfaction baseline, which is crucial as more features are integrated into Playbook’s interface. This work ex-tends a validated user experience framework into a spaceflight domain, allowing optimization of human-computer interaction as future operational tools are developed.

user experience↗
DOE OSTI2024

The Cybersecurity Value-at-Risk Framework: Informing Cybersecurity Decisions

The Cybersecurity Value-at-Risk Framework is a tool that can be used by hydropower plant manager to make more educated cybersecurity investments. Users can take a self guided assessment allowing the tools to generate risk, impact and cybersecurity scores and be given risk-based recommendations to enhance decision-making.

CVF↗
NASA NTRS2006

Slat Cove Unsteadiness Effect of 3D Flow Structures

Previous studies have indicated that 2D, time accurate computations based on a pseudo-laminar zonal model of the slat cove region (within the framework of the Reynolds-Averaged Navier-Stokes equations) are inadequate for predicting the full unsteady dynamics of the slat cove flow field. Even though such computations could capture the large-scale, unsteady vorticity structures in the slat cove region without requiring any external forcing, the simulated vortices were excessively strong and the recirculation zone was unduly energetic in comparison with the PIV measurements for a generic high-lift configuration. To resolve this discrepancy and to help enable physics based predictions of slat aeroacoustics, the present paper is focused on 3D simulations of the slat cove flow over a computational domain of limited spanwise extent. Maintaining the pseudo-laminar approach, current results indicate that accounting for the three-dimensionality of flow fluctuations leads to considerable improvement in the accuracy of the unsteady, nearfield solution. Analysis of simulation data points to the likely significance of turbulent fluctuations near the reattachment region toward the generation of broadband slat noise. The computed acoustic characteristics (in terms of the frequency spectrum and spatial distribution) within short distances from the slat resemble the previously reported, subscale measurements of slat noise.

Choudhari, Meelan M.↗
DOE OSTI2025

Determining the Ensemble N -Representability of Reduced Density Matrices

The N-representability problem for reduced density matrices remains a fundamental challenge in electronic structure theory. Following our previous work that employs a unitary-evolution algorithm based on an adaptive derivative-assembled pseudo-Trotter variational quantum algorithm to probe pure-state N-representability of reduced density matrices [J. Chem. Theory Comput. 2024, 20, 9968], in this work we propose a practical framework for determining the ensemble N-representability of a p-body matrix. This is accomplished using a purification strategy that embeds an ensemble state into a pure state defined on an extended Hilbert space, such that the reduced density matrices of the purified state reproduce those of the original ensemble. By iteratively applying variational unitaries to an initial purified state, the proposed algorithm minimizes the Hilbert-Schmidt distance between its p-body reduced density matrix and a specified target p-body matrix, which serves as a measure of the N-representability of the target. This methodology facilitates both error correction of defective ensemble reduced density matrices and quantum-state reconstruction on a quantum computer, offering a route for density-matrix refinement. We validate the algorithm with numerical simulations on systems of two, three, and four electrons in both simple models as well as molecular systems at finite temperature, demonstrating its robustness.

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

End-To-End Decentralized Transmission Line Protection in IBR-Dominated Weak Grids Using Interpretable Data-Driven Methods

Traditional transmission line protection relies on predictable synchronous-based fault signatures, which frequently fail under the non-standard, current-limited fault characteristics of Inverter-Based Resources (IBRs). This study investigates how to achieve secure, communication-free fault isolation in IBR-dominated weak grids without relying on opaque, computationally heavy "black-box" machine learning algorithms. To address this, we propose a novel, standalone, and inherently interpretable data-driven protection framework. Unlike centralized methods requiring multi-terminal communication, this decentralized approach relies solely on local measurements using a hierarchical linear-kernel Support Vector Machine (SVM). The methodology decomposes the protection task into four sequential stages that mimic traditional protection elements: fault detection and fault direction identification, fault type classification, zone classification, and location estimation. This multi-stage architecture allows for specialized feature engineering at each stage, combining high computational efficiency with logic traceability. The framework's end-to-end performance was validated via C-code and PSCAD/EMTDC co-simulation, utilizing a real-world utility network and an OEM black-box IBR model. The proposed relay achieves 97.2% overall accuracy and provides a reliable trip decision within a 2.5-cycle window. The results confirm 100% accuracy in fundamental fault detection, reliable zone selectivity across low to moderate fault resistances, and robust security against non-fault transients, proving its immediate viability for integration into commercial numerical relays.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

FunM2C: A Filter for Uncertainty Visualization of Multivariate Data on Multi-Core Devices

Uncertainty visualization is an emerging research topic in data visualization because neglecting uncertainty in visualization can lead to inaccurate assessments. In this paper, we study the propagation of multivariate data uncertainty in visualization. Although there have been a few advancements in probabilistic uncertainty visualization of multivariate data, three critical challenges remain to be addressed. First, the state-of-the-art probabilistic uncertainty visualization framework is limited to bivariate data (two variables). Second, existing uncertainty visualization algorithms use computationally intensive techniques and lack support for cross-platform portability. Third, as a consequence of the computational expense, integration into production visualization tools is impractical. In this work, we address all three issues and make a threefold contribution. First, we take a step to generalize the state-of-the-art probabilistic framework for bivariate data to multivariate data with an arbitrary number of variables. Second, through utilization of VTK-m’s shared-memory parallelism and cross-platform compatibility features, we demonstrate acceleration of multivariate uncertainty visualization on different many-core architectures, including OpenMP and AMD GPUs. Third, we demonstrate the integration of our algorithms with the ParaView software. We demonstrate the utility of our algorithms through experiments on multivariate simulation data with three and four variables.

Hari, Gautam↗
NASA NTRS1982

Nucleosynthesis in novae - A source of Ne-E and Al-26

It is shown upon computation of the nucleosynthesis products of explosive hydrogen burning, in the framework of recent nova models, that nova condensates will probably contain isotopic anomalies in Ne-22, from Na-22 decay, and Mg-26, from Al-26 decay. It is found, for all the models considered, that while too much Ne-20 and -21 is produced relative to Ne-22 to explain the presumably almost pure Ne-22 meteoritic Ne-E component, the Na-22 abundance is high enough to explain Ne-E as its decay product if nova condensates are preserved in Ne samples. It is also determined that while Al-26 is coproduced with Na-22, its total amount strongly depends on the uncertain, Si-27(p, gamma)P-28 reaction rate. The abundances of all nuclides, up to Ar, are computed and found to be clearly nonsolar in many cases.

Hillebrandt, W.↗
DOE OSTI2024

Performance of high-order Godunov-type methods in simulations of astrophysical low Mach number flows

High-order Godunov methods for gas dynamics have become a standard tool for simulating different classes of astrophysical flows. Their accuracy is mostly determined by the spatial interpolant used to reconstruct the pair of Riemann states at cell interfaces and by the Riemann solver that computes the interface fluxes. In most Godunov-type methods, these two steps can be treated independently, so that many different schemes can in principle be built from the same numerical framework. Because astrophysical simulations often test out the limits of what is feasible with the computational resources available, it is essential to find the scheme that produces the numerical solution with the desired accuracy at the lowest computational cost. However, establishing the best combination of numerical options in a Godunov-type method to be used for simulating a complex hydrodynamic problem is a nontrivial task. In fact, formally more accurate schemes do not always outperform simpler and more diffusive methods, especially if sharp gradients are present in the flow. For this work, we used our fully compressible Seven-League Hydro (SLH) code to test the accuracy of six reconstruction methods and three approximate Riemann solvers on two- and three-dimensional (2D and 3D) problems involving subsonic flows only. We considered Mach numbers in the range from 10 −3 to 10 −1 , which are characteristic of many stellar and geophysical flows. In particular, we considered a well-posed, 2D, Kelvin–Helmholtz instability problem and a 3D turbulent convection zone that excites internal gravity waves in an overlying stable layer. Although the different combinations of numerical methods converge to the same solution with increasing grid resolution for most of the quantities analyzed here, we find that (i) there is a spread of almost four orders of magnitude in computational cost per fixed accuracy between the methods tested in this study, with the most performant method being a combination of a low-dissipation Riemann solver and a sextic reconstruction scheme; (ii) the low-dissipation solver always outperforms conventional Riemann solvers on a fixed grid when the reconstruction scheme is kept the same; (iii) in simulations of turbulent flows, increasing the order of spatial reconstruction reduces the characteristic dissipation length scale achieved on a given grid even if the overall scheme is only second order accurate; (iv) reconstruction methods based on slope-limiting techniques tend to generate artificial, high-frequency acoustic waves during the evolution of the flow; and (v) unlimited reconstruction methods introduce oscillations in the thermal stratification near the convective boundary, where the entropy gradient is steep.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Heterogeneous Computing

To leverage the increasing heterogeneity in modern computing resources, Geant4 incorporates advanced software tools and a task-based framework (G4Tasking) that enables efficient parallelism at event, sub-event, and track levels. Ongoing R&D efforts focus on integrating GPUs into high-energy physics (HEP) simulations, including optical photon simulation with Opticks/NVIDIA OptiX, offloading electromagnetic particle transport using G4HepEM/AdePT and Celeritas, and employing advanced surface-based geometry models such as VecGeom2.0 and ORANGE. As Geant4 continues evolving toward high-performance computing (HPC) and heterogeneous architectures, it remains a key tool for large-scale simulations in HEP and beyond.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

A neural master equation framework for multiscale modeling of molecular processes: application to atomic-scale plasma processes

Plasma-surface interactions (PSI) play a crucial role in microelectronics fabrication; however, their multiscale nature and array of complex, often unknown interactions make computational modeling of PSIs extremely difficult. To this end, we propose a general neural master equation (NME) framework that uses master equations to describe the dynamics of a molecular process, wherein neural networks learned from atomistic simulations represent unknown transitions between different system states. By leveraging the physics-based structure of master equations and data-driven state transitions, the NME framework promotes generalizability and physics interpretability, and can bridge disparate length and time scales. The framework is demonstrated for multiscale modeling of Si atomic layer etching and reactive ion etching, where the learned NME-based surface kinetic models exhibit good predictive and extrapolative capabilities for predicting experimentally relevant observables as a function of process parameters. The NME-based surface kinetic models obey physical constraints, which are violated in models based on neural ordinary differential equations. The proposed NME framework for multiscale modeling of molecular processes can pave the way for the discovery of new chemistries and materials in atomic-scale plasma processes.

Chemical engineering↗
DOE OSTI2024

High throughput, accurate gene annotation through AI and HPC-enabled structural analysis

With the advances in next generation sequencing technologies, the number of sequenced genomes is growing exponentially, resulting in a technology bottleneck for the translation of sequence information into usable hypotheses about the function of each gene. We have proposed leveraging our leadership high-performance computing (HPC) resources to help break this annotation bottleneck. Here we design an HPC-based framework to infer gene function from gene sequence by incorporating information about protein structure and interactions predicted by deep learning approaches. Accurate functional prediction and gene annotation using computational methods will facilitate breakthroughs in the genomic sciences essential to understanding and harnessing life processes in bacteria, fungi and plants. The development and applications of the state-of-the-art deep neural networks to protein structural modeling, interaction prediction, sequence comparison, and quality assessment of protein structural models will be made possible by leadership computational resources. These HPC-enabled bioinformatics and molecular modeling tools will provide powerful insights into molecular functions of genes.

59 BASIC BIOLOGICAL SCIENCES↗