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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Selecting the independent coordinates of manifolds with large aspect ratios

Many manifold embedding algorithms fail apparently when the data manifold has a large aspect ratio (such as a long, thin strip). Here, we formulate success and failure in terms of finding a smooth embedding, showing also that the problem is pervasive and more complex than previously recognized. Mathematically, success is possible under very broad conditions, provided that embedding is done by carefully selected eigenfunctions of the Laplace-Beltrami operator Δ. Hence, we propose a bicriterial Independent Eigencoordinate Selection (IES) algorithm that selects smooth embeddings with few eigenvectors. The algorithm is grounded in theory, has low computational overhead, and is successful on synthetic and large real data.

Meila, Marina↗
DOE OSTI2025

Accelerating Embedding Potential Optimization by Reconstructing the Pseudo-Valence Electron Density

Density functional embedding theory (DFET) enables use of electronic structure methods with higher accuracy than density functional theory in a local region, with applications thus far ranging from (photo/electro)catalysis to reactions in solution. DFET partitions a large collection of atoms into smaller groups that interact via a shared embedding (interaction) potential V emb , determined via functional optimization. The optimized effective potential (OEP) process used to optimize V emb is time-consuming and becomes a computational bottleneck due to sharp, oscillating features of V emb near nuclei. Here, similar to pseudopotential theory, by reconstructing electron densities used in the OEP process from smoother pseudo-valence-only (PVO) electron densities as proxies for total densities of the full system and subsystems, we can retain accuracy in the embedded electronic structure calculations while potentially reducing the overhead of V emb construction, within the projector augmented-wave (PAW) formalism. We explore three different chemical reactions as exemplars to test PVO–DFET, namely, H 2 dissociative adsorption on a Cu(111) surface, H 2 O adsorption on a Pt(111) surface, and aqueous [Ca 2+ –SO 4 2– ] ion-pair formation. The PVO approximation works well for all three systems with minimal loss of accuracy (∼10–70 meV error relative to the original exact-derivative (ED) approach) while accelerating V emb generation for the Cu and Pt systems respectively by 20× and 5×. Given proper numerical convergence parameters, the spatial distributions of differences between PVO- and ED-based V emb outside the core regions are small, explaining the exceptional agreement between the two approaches. Finally, we anticipate that this more efficient PVO–DFET approximation will be useful whenever computation of V emb is much more expensive than subsequent embedded high-level electron correlation calculations.

approximation↗
NASA NTRS1977

Supersonic flow about circular cones at large angles of attack - A floating discontinuity approach

The technique of floating shock fitting is adapted to the computation of the inviscid flowfield about circular cones in a supersonic free stream at angles of attack that exceed the cone half-angle. In those regions in which the governing conical equations are mixed elliptic-hyperbolic, the fully hyperbolic form is obtained by the addition of the temporal derivative. The resulting equations are applicable over the complete range of free-stream Mach numbers, angles of attack and cone half-angles for which the bow shock is attached. An explicit finite-difference algorithm is used to obtain the solution by an unsteady relaxation approach. The bow shock, embedded crossflow shock, and vortical singularity in the leeward symmetry plane are all treated as floating discontinuities in a fixed computational mesh. The method yields excellent results for the bow and embedded shocks, however, the solution in the leeward symmetry plane exhibits viscous-like effects and does not appear to adequately predict the behavior of the vortical singularity.

Daywitt, J.↗
NASA NTRS2005

Encryption for Remote Control via Internet or Intranet

A data-communication protocol has been devised to enable secure, reliable remote control of processes and equipment via a collision-based network, while using minimal bandwidth and computation. The network could be the Internet or an intranet. Control is made secure by use of both a password and a dynamic key, which is sent transparently to a remote user by the controlled computer (that is, the computer, located at the site of the equipment or process to be controlled, that exerts direct control over the process). The protocol functions in the presence of network latency, overcomes errors caused by missed dynamic keys, and defeats attempts by unauthorized remote users to gain control. The protocol is not suitable for real-time control, but is well suited for applications in which control latencies up to about 0.5 second are acceptable. The encryption scheme involves the use of both a dynamic and a private key, without any additional overhead that would degrade performance. The dynamic key is embedded in the equipment- or process-monitor data packets sent out by the controlled computer: in other words, the dynamic key is a subset of the data in each such data packet. The controlled computer maintains a history of the last 3 to 5 data packets for use in decrypting incoming control commands. In addition, the controlled computer records a private key (password) that is given to the remote computer. The encrypted incoming command is permuted by both the dynamic and private key. A person who records the command data in a given packet for hostile purposes cannot use that packet after the public key expires (typically within 3 seconds). Even a person in possession of an unauthorized copy of the command/remote-display software cannot use that software in the absence of the password. The use of a dynamic key embedded in the outgoing data makes the central-processing unit overhead very small. The use of a National Instruments DataSocket(TradeMark) (or equivalent) protocol or the User Datagram Protocol makes it possible to obtain reasonably short response times: Typical response times in event-driven control, using packets sized .300 bytes, are <0.2 second for commands issued from locations anywhere on Earth. The protocol requires that control commands represent absolute values of controlled parameters (e.g., a specified temperature), as distinguished from changes in values of controlled parameters (e.g., a specified increment of temperature). Each command is issued three or more times to ensure delivery in crowded networks. The use of absolute-value commands prevents additional (redundant) commands from causing trouble. Because a remote controlling computer receives "talkback" in the form of data packets from the controlled computer, typically within a time interval < or =1 s, the controlling computer can re-issue a command if network failure has occurred. The controlled computer, the process or equipment that it controls, and any human operator(s) at the site of the controlled equipment or process should be equipped with safety measures to prevent damage to equipment or injury to humans. These features could be a combination of software, external hardware, and intervention by the human operator(s). The protocol is not fail-safe, but by adopting these safety measures as part of the protocol, one makes the protocol a robust means of controlling remote processes and equipment by use of typical office computers via intranets and/or the Internet.

Lineberger, Lewis↗
NASA NTRS1993

surf3d: A 3-D finite-element program for the analysis of surface and corner cracks in solids subjected to mode-1 loadings

A computer program, surf3d, that uses the 3D finite-element method to calculate the stress-intensity factors for surface, corner, and embedded cracks in finite-thickness plates with and without circular holes, was developed. The cracks are assumed to be either elliptic or part eliptic in shape. The computer program uses eight-noded hexahedral elements to model the solid. The program uses a skyline storage and solver. The stress-intensity factors are evaluated using the force method, the crack-opening displacement method, and the 3-D virtual crack closure methods. In the manual the input to and the output of the surf3d program are described. This manual also demonstrates the use of the program and describes the calculation of the stress-intensity factors. Several examples with sample data files are included with the manual. To facilitate modeling of the user's crack configuration and loading, a companion program (a preprocessor program) that generates the data for the surf3d called gensurf was also developed. The gensurf program is a three dimensional mesh generator program that requires minimal input and that builds a complete data file for surf3d. The program surf3d is operational on Unix machines such as CRAY Y-MP, CRAY-2, and Convex C-220.

Raju, I. S.↗
DOE OSTI2026

Dispersion Loss Counteracts Embedding Condensation and Improves Generalization in Small Language Models

Large language models (LLMs) achieve remarkable performance through ever-increasing parameter counts, but scaling incurs steep computational costs. To better understand LLM scaling, we study representational differences between LLMs and their smaller counterparts, with the goal of replicating the representational qualities of larger models in smaller models. We observe a geometric phenomenon which we term embedding condensation, where token embeddings collapse into a narrow cone-like subspace in some language models. Through systematic analyses across multiple Transformer families, we show that small models such as GPT2 and Qwen3-0.6B exhibit severe condensation, whereas larger models such as GPT2-x1 and Qwen3-32B are more resistant to this phenomenon. Additional observations show that embedding condensation is not reliably mitigated by knowledge distillation from larger models. To fight against it, we formulate a dispersion loss that explicitly encourages embedding dispersion during training. Experiments demonstrate that it mitigates condensation, recovers dispersion patterns seen in larger models, and yields performance gains across 10 benchmarks. We believe this work offers a principled path toward improving smaller Transformers without additional parameters.

Xiao, Xi [ORNL] (ORCID:0009000009316982)↗
DOE OSTI2024

Understanding Event Trajectories Across Massive Temporal Datasets with Word Embeddings and Visualization

In collaboration with researchers from Virginia Tech, Savannah River National Laboratory has continued development of a natural language processing pipeline to identify and extract events of interest from massive open data sources in the domain of worldwide state-sponsored civil nuclear energy. The foundation of the pipeline is built on compass aligned temporal word embedding models, whereby contextual shifts are automatically identified by comparing keyword embedding vectors across successive time windows. Within the approach, a contextual shift indicates the occurrence of a potential event of interest. However, in such a broad topical domain that captures events at a global scale, across various life cycle stages, and across numerous different technology types, a user that is monitoring events may have broad interests in capturing many different event types with varying degrees of signal. As such, the quantity of information that may be returned from an automated event extraction pipeline can be substantial, requiring manual effort to sift through the information to identify any relevant bits of information. Therefore, a more streamlined workflow that aids in directing a user toward specific information at different points in time is necessary. The workflow presented here has been developed with this concept in mind, built on top of the initial prototype event extraction pipeline, whereby a user can analyze temporal text-based data sources at multiple different contextual levels to isolate key points in time and key subdomains captured within a data corpus. Using multiple corpuses that consist of approximately 7 million Tweets and 7 million news articles, the team has extended compass aligned temporal word embedding models to establish an interconnected and hierarchical structure that relates known key words of interest to documents, local topics (i.e., within a time window), and global topics across the corpuses. All of this information is packaged into a visual analytics system that is linked to the information extraction pipeline and enables a user to identify contextual information that describes the evolution of a high dimensional embedding space across time to isolate changes of interest and explore associated events. This report demonstrates the use of these analytics and a means to fuse information across multiple datasets.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2004

Photoionization of Benzene and Small Polycyclic Aromatic Hydrocarbons in Ultraviolet-Processed Astrophysical Ices: A Computational Study

We employed density functional theory (DFT) calculations to model the photoionization behavior of benzene and small polycyclic aromatic hydrocarbons when they are embedded in a matrix of water ice in order to investigate issues raised by recent experimental work by Gudipati and Allamandola. The ionization energies of benzene, naphthalene, anthracene, and pyrene were found to be lowered by 1.5-2.1 eV in water ice. Low-lying vertical electronic excitation energies were computed with time-dependent DFT for both neutral and ionized species and are found in both cases to be remarkably unaffected by the ice matrix. Chemical behavior in ultraviolet-photoprocessed ices is also discussed, with a focus on electron recombination and pathways leading to phenol and analogous products.

Woon, D. E.↗
NASA NTRS1998

Embedded Web Technology: Internet Technology Applied to Real-Time System Control

The NASA Lewis Research Center is developing software tools to bridge the gap between the traditionally non-real-time Internet technology and the real-time, embedded-controls environment for space applications. Internet technology has been expanding at a phenomenal rate. The simple World Wide Web browsers (such as earlier versions of Netscape, Mosaic, and Internet Explorer) that resided on personal computers just a few years ago only enabled users to log into and view a remote computer site. With current browsers, users not only view but also interact with remote sites. In addition, the technology now supports numerous computer platforms (PC's, MAC's, and Unix platforms), thereby providing platform independence.In contrast, the development of software to interact with a microprocessor (embedded controller) that is used to monitor and control a space experiment has generally been a unique development effort. For each experiment, a specific graphical user interface (GUI) has been developed. This procedure works well for a single-user environment. However, the interface for the International Space Station (ISS) Fluids and Combustion Facility will have to enable scientists throughout the world and astronauts onboard the ISS, using different computer platforms, to interact with their experiments in the Fluids and Combustion Facility. Developing a specific GUI for all these users would be cost prohibitive. An innovative solution to this requirement, developed at Lewis, is to use Internet technology, where the general problem of platform independence has already been partially solved, and to leverage this expanding technology as new products are developed. This approach led to the development of the Embedded Web Technology (EWT) program at Lewis, which has the potential to significantly reduce software development costs for both flight and ground software.

Daniele, Carl J.↗
DOE OSTI2021

First Principles Simulations of Electrified Interfaces in Electrochemistry

This chapter discusses some of the recent advances made in the first principles modeling of electrochemical catalysts. It also discusses the key development, namely the ability to explicitly treat the effects of surface electrification due to electrochemical processes and applied voltages in a computationally efficient manner. The chapter introduces the thermodynamics and statistical mechanics of electrified metal-solution interfaces. It then discusses the structure of the electrode-electrolyte interface and the effects of applied voltages, followed by an overview of the first-principles model and a motivating example. The chapter also provides a brief summary of classical thermodynamics and describes the basics of thermodynamic detour. It considers the thermodynamics of macroscopic systems and introduces several useful fundamental relations. Here, the chapter also considers a system to exist in a certain macrostate, which is a particular thermodynamic state specified by a set of fixed properties such as constant particle number, constant volume, and constant temperature.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

The PACE-MAPP Polarized Ocean Bio-optical Model

The MAPP polarimeter retrieval algorithm, originally developed for the airborne NASA GISS Research Scanning Polarimeter, is being adapted to the PACE observing system to allow for a simultaneous retrieval of aerosol, thin cirrus, and ocean products using both PACE polarimeters and the OCI shortwave infrared channels. Here, we describe the polarized ocean bio-optical model we have developed for PACE-MAPP, which is designed to use a combination of homogenous and coated spheres to more accurately model the absorption and backscattering properties of algal and non-algal particles, and which also includes absorption by colored dissolved organic matter. We first use Lorenz-Mie computations to create lookup tables to accurately and efficiently characterize the optical properties of homogeneous and coated spheres embedded in water for PACE. We then use these lookup tables to develop a bio-optical model that consists of an external mixture of homogeneous (non-algal) and coated (algal) spheres. Lastly, we use the bio-optical model in forward radiative transfer computations to perform inversions of MODIS remote sensing reflectance for a variety of ocean regions. We explore the sensitivity of these inversions to ocean constituent inherent optical properties.

James Allen↗
NASA NTRS2018

A GNSS Receiver for Small-Sats Enabling Precision POD, Radio Occultations and Reflections

A low cost, low power, and low mass GNSS receiver (called Cion) has been developed and is currently flying on the CICERO cubesats. The receiver was designed in less than a year by JPL for Tyvak and GeoOptics for use in the GeoOptics CICERO constellation and leverages 25 years of JPL GNSS reciever design experience. Cion uses a commercial off-the-shelf (COTS) computer along with existing space qualified RF down-converters, software, and firmware to produce atmospheric Radio Occultation (RO) data. By combining a FPGA with dual core ARM processor and an embedded system controller, the Xilinx Zynq processor is an enabling technology that provides a customizable digital signal processing platform integrated into the computer (System on a chip) and enables off-the-shelf hardware to become the main engine behind this software defined radio. Using Linux for the on-board computer allows for fast development times and liberal use of existing open source software libraries. The parts of the receiver that require realtime implementation are performed in the Field Programmable Gate Array (FPGA), which can also be reprogrammed in flight. While the Zynq is not rad hard, the silicon on insulator (SOI) technology is rad tolerant ‘by accident’, allowing for its use in many space-based applications. Early results show that the Cion is working as designed, has demonstrated the first known GLONASS occultations, and obtains high quality atmospheric profiles with excellent lower troposphere penetration (near Earth’s surface).

Young, Larry↗
DOE OSTI2022

Operator inference for non-intrusive model reduction with quadratic manifolds

This paper proposes a novel approach for learning a data-driven quadratic manifold from high-dimensional data, then employing this quadratic manifold to derive efficient physics-based reduced-order models. The key ingredient of the approach is a polynomial mapping between high-dimensional states and a low-dimensional embedding. This mapping consists of two parts: a representation in a linear subspace (computed in this work using the proper orthogonal decomposition) and a quadratic component. The approach can be viewed as a form of data-driven closure modeling, since the quadratic component introduces directions into the approximation that lie in the orthogonal complement of the linear subspace, but without introducing any additional degrees of freedom to the low-dimensional representation. Combining the quadratic manifold approximation with the operator inference method for projection-based model reduction leads to a scalable non-intrusive approach for learning reduced-order models of dynamical systems. Further, applying the new approach to transport-dominated systems of partial differential equations illustrates the gains in efficiency that can be achieved over approximation in a linear subspace.

42 ENGINEERING↗
NASA NTRS1981

Software error detection

Several methods were employed to detect both the occurrence and source of errors in the operational software of the AN/SLQ-32. A large embedded real time electronic warfare command and control system for the ROLM 1606 computer are presented. The ROLM computer provides information about invalid addressing, improper use of privileged instructions, stack overflows, and unimplemented instructions. Additionally, software techniques were developed to detect invalid jumps, indices out of range, infinte loops, stack underflows, and field size errors. Finally, data are saved to provide information about the status of the system when an error is detected. This information includes I/O buffers, interrupt counts, stack contents, and recently passed locations. The various errors detected, techniques to assist in debugging problems, and segment simulation on a nontarget computer are discussed. These error detection techniques were a major factor in the success of finding the primary cause of error in 98% of over 500 system dumps.

Buechler, W.↗
NASA NTRS1995

Backscatter model for the unusual radar properties of the Greenland Ice Sheet

A number of planetary objects exhibit large radar reflectivity and polarization ratios, and more recently, a similar behavior has been observed over a vast portion of the Earth's surface: the percolation facies of the Greenland Ice Sheet. Surface-based ranging radar data and snow stratigraphy studies demonstrated that the radar properties of that portion of Greenland are caused by enhanced scattering from massive, large, solid-ice bodies buried in the top few meters of the dry, cold, clean snowy surface of the ice sheet and created by seasonal melting and refreezing events. Here, we model the icy inclusions as randomly oriented, discrete, noninteracting, dielectric cylinders embedded in a transparent snow medium. An exact analytical solution is used to compute the scattered field from the cylinders. Using this model, we correctly predict the polarimetric radar observations gathered by an airborne imaging system at three wavelengths (5.6, 24, and 68 cm), between 19 deg and 65 deg incidence angle. The diameter and number density of the cylinders that are inferred from the radar data using the model are consistent with in situ observations of the icy inclusions. The large radar reflectivity and polarization ratios are interpreted as arising internal reflections of the radar signals in the icy inclusions that first-order external reflection models fail to predict. The results compare favorably with predictions from the coherent backscatter or weak localization theory and may provide a complementary framework for interpreting exotic radar echoes from other planetary objects.

Rignot, Eric↗
NASA NTRS2004

Computer Tomography 3-D Imaging of the Metal Deformation Flow Path in Friction Stir Welding

In friction stir welding, a rotating threaded pin tool is inserted into a weld seam and literally stirs the edges of the seam together. This solid-state technique has been successfully used in the joining of materials that are difficult to fusion weld such as aluminum alloys. To determine optimal processing parameters for producing a defect free weld, a better understanding of the resulting metal deformation flow path is required. Marker studies are the principal method of studying the metal deformation flow path around the FSW pin tool. In our study, we have used computed tomography (CT) scans to reveal the flow pattern of a lead wire embedded in a FSW weld seam. At the welding temperature of aluminum, the lead becomes molten and thus tracks the aluminum deformation flow paths in a unique 3-dimensional manner. CT scanning is a convenient and comprehensive way of collecting and displaying tracer data. It marks an advance over previous more tedious and ambiguous radiographic/metallographic data collection methods.

Schneider, Judy↗
NASA NTRS2005

Computed Tomography 3-D Imaging of the Metal Deformation Flow Path in Friction Stir Welding

In friction stir welding (FSW), a rotating threaded pin tool is inserted into a weld seam and literally stirs the edges of the seam together. To determine optimal processing parameters for producing a defect free weld, a better understanding of the resulting metal deformation flow path is required. Marker studies are the principal method of studying the metal deformation flow path around the FSW pin tool. In our study, we have used computed tomography (CT) scans to reveal the flow pattern of a lead wire embedded in a FSW weld seam. At the welding temperature of aluminum, the lead becomes molten and is carried with the macro-flow of the weld metal. By using CT images, a 3-dimensional (3D) image of the lead flow pattern can be reconstructed. CT imaging was found to be a convenient and comprehensive way of collecting and displaying tracer data. It marks an advance over previous more tedious and ambiguous radiographic/metallographic data collection methods.

Schneider, Judy↗
NASA NTRS2008

Proceedings of the Sixth NASA Langley Formal Methods (LFM) Workshop

Today's verification techniques are hard-pressed to scale with the ever-increasing complexity of safety critical systems. Within the field of aeronautics alone, we find the need for verification of algorithms for separation assurance, air traffic control, auto-pilot, Unmanned Aerial Vehicles (UAVs), adaptive avionics, automated decision authority, and much more. Recent advances in formal methods have made verifying more of these problems realistic. Thus we need to continually re-assess what we can solve now and identify the next barriers to overcome. Only through an exchange of ideas between theoreticians and practitioners from academia to industry can we extend formal methods for the verification of ever more challenging problem domains. This volume contains the extended abstracts of the talks presented at LFM 2008: The Sixth NASA Langley Formal Methods Workshop held on April 30 - May 2, 2008 in Newport News, Virginia, USA. The topics of interest that were listed in the call for abstracts were: advances in formal verification techniques; formal models of distributed computing; planning and scheduling; automated air traffic management; fault tolerance; hybrid systems/hybrid automata; embedded systems; safety critical applications; safety cases; accident/safety analysis.

Rozier, Kristin Yvonne↗