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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 1,747 records · Page 97
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Data efficiency and extrapolation trends in neural network interatomic potentials

Abstract Recently, key architectural advances have been proposed for neural network interatomic potentials (NNIPs), such as incorporating message-passing networks, equivariance, or many-body expansion terms. Although modern NNIP models exhibit small differences in test accuracy, this metric is still considered the main target when developing new NNIP architectures. In this work, we show how architectural and optimization choices influence the generalization of NNIPs, revealing trends in molecular dynamics (MD) stability, data efficiency, and loss landscapes. Using the 3BPA dataset, we uncover trends in NNIP errors and robustness to noise, showing these metrics are insufficient to predict MD stability in the high-accuracy regime. With a large-scale study on NequIP, MACE, and their optimizers, we show that our metric of loss entropy predicts out-of-distribution error and data efficiency despite being computed only on the training set. This work provides a deep learning justification for probing extrapolation and can inform the development of next-generation NNIPs.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Illuminating the Material World: Autonomous Microscopy to Understand Order, Disorder, and Everything In Between

Artificial intelligence (AI) holds immense promise for revolutionizing microscopy, yet its widespread adoption has been hindered by challenges ranging from user inexperience to limited model transferability and difficulties in operationalizing machine learning. This presentation showcases our approach to developing practical autonomy for materials discovery, aiming to accelerate the integration of AI into everyday microscopy workflows. As shown in Fig. 1, I will focus on three key areas: understanding order-disorder transitions, quantifying point defects, and achieving truly device-scale microscopy. First, I will demonstrate the power of multi-modal knowledge graphs for integrating diverse microscopy data. By combining imaging, spectroscopy, and diffraction data, these graphs provide a holistic view of material behavior, capturing the intricate relationships between different modalities [1,2]. I will present a case study on how these models illuminate the structural and chemical changes associated with irradiation in oxide thin films, revealing critical insights for designing materials for extreme environments like spaceflight and nuclear energy. Specifically, I will show how multi-modal analysis clarifies the evolution of order-disorder transitions under irradiation, a key factor influencing material performance in these applications. Next, I will address the challenge of quantifying point defects in 2D materials. We demonstrate the application of computer vision and transfer learning to accurately identify and classify various defect types, such as vacancies and substitutional atoms, and to quantify their concentrations. This information is crucial for understanding and tailoring the properties of 2D materials for applications in electronics, optoelectronics, and catalysis. For example, I will show how our models can characterize the topological distribution of point defects in MXene transition metal carbides, providing valuable insights for optimizing their performance in energy storage and separation science. Finally, I will discuss our progress toward autonomous device-scale microscopy [3,4]. We are fundamentally redesigning electron microscopes around the principles of machine reasoning, enabling automation beyond basic tasks like sample navigation and data acquisition to include sophisticated experimental design. This approach paves the way for truly reproducible and massively scaled analysis campaigns. I will emphasize the importance of autonomous microscopy platforms for high-throughput materials discovery and characterization, facilitating the rapid screening of materials for a broad range of applications and accelerating the development of next-generation technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Controlling $H_{3}^{+}$ Formation From Ethane Using Shaped Ultrafast Laser Pulses

An adaptive learning algorithm coupled with 3D momentum-based feedback is used to identify intense laser pulse shapes that control $H_{3}^{+}$ formation from ethane. Specifically, we controlled the ratio of D 2 H + to $D_{3}^{+}$ produced from the D 3 C-CH 3 isotopologue of ethane, which selects between trihydrogen cations formed from atoms on one or both sides of ethane. We are able to modify the D 2 H + :$D_{3}^{+}$ ratio by a factor of up to three. In addition, two-dimensional scans of linear chirp and third-order dispersion are conducted for a few fourth-order dispersion values while the D 2 H + and $D_{3}^{+}$ production rates are monitored. The optimized pulse is observed to influence the yield, kinetic energy release, and angular distribution of the D 2 H + ions while the $D_{3}^{+}$ ion dynamics remain relatively stable. We subsequently conducted COLTRIMS experiments on C 2 D 6 to complement the velocity map imaging data obtained during the control experiments and measured the branching ratio of two-body double ionization. Two-body $D_{3}^{+}$ + $C_{2}D_{3}^{+}$ is the dominant final channel containing $D_{3}^{+}$ ions, although the three-body D + $D_{3}^{+}$ + $C_{2}D_{2}^{+}$ final state is also observed.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Feedback Control Strategy for Transient Stability Application

Power systems are subjected to a wide range of disturbances during daily operations. Severe disturbances, such as a loss of a large generator, a three-phase bolted fault on a generator bus, or a loss of a transmission line, can lead to the loss of synchronism of a generator or group of generators. The ability of a power system to maintain synchronism during the few seconds after being subjected to a severe disturbance is known as transient stability. Most of the modern methods of controlling transient stability involve special protection schemes or remedial action schemes. These special protection schemes sense predetermined system conditions and take corrective actions, such as generator tripping or generation re-dispatch, in real time to maintain transient stability. Another method is the use of a real-time feedback control system to modulate the output of an actuator in response to a signal. This paper provides a fundamental evaluation of the use of feedback control strategies to improve transient stability in a power system. An optimal feedback control strategy that modulates the real power injected and absorbed by distributed energy-storage devices is proposed. Its performance is evaluated on a four-machine power system and on a 34-machine reduced-order model of the Western North American Power System. The result shows that the feedback control strategy can increase the critical fault clearing time by 60%, thereby improving the transient stability of the power system.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Wave resource spatial and temporal variability dependence on WEC size

As the wave energy sector grows and looks to the Blue Economy for commercialization opportunities, there is a distinct and pressing need to clearly understand and quantify the coupled impacts of wave energy converter (WEC) size and wave resource characteristics on the annual energy production, spatial variability and temporal variability. Utilizing generic frequency domain representations of the Oscilla Power Triton WEC and spectral wave conditions at PacWave (Oregon), Los Angeles (California) and WETS (Hawaii), a series of interesting results emerge. Firstly, the ‘optimal’ WEC size, from an energy standpoint, is fundamentally dependent on the frequency distribution of the incoming wave variance density spectrum. Secondly, and from a seasonality perspective, the seasonal WEC energy generation doesn’t necessarily follow the seasonal distribution of gross wave power. Finally, from an hourly power variability perspective, a reduction in WEC size generally decreases variability. However, for each of the locations investigated, there appears to be a WEC size threshold; a threshold where further reducing WEC size results in increased power variability.

16 TIDAL AND WAVE POWER↗
NASA NTRS1978

A hybrid technique for wire antennas in a cavity

An evaluation is conducted of two numerical techniques developed by Richmond (1961, 1966) for wire antennas and scattering bodies. It is concluded that a more efficient and accurate scheme can be devised by suitably combining the two techniques. This scheme, which is called the 'hybrid method', is well suited for a wire antenna mounted in a cavity. Reaction matching is employed in the case of the antenna, while point matching is used for the support structure. The described approach makes it possible to consider voltage generators without the use of any equivalent magnetic frill current sources. The number of unknown currents to be determined is essentially optimized by this combination of reaction matching and point matching. The resulting current distribution is a quantized distribution on the support structure and is continuous on the main radiator.

Agrawal, P. K.↗
NASA NTRS1985

Assessment of Computer-based Geologic Mapping of Rock Units in the LANDSAT-4 Scene of Northern Death Valley, California

Geologists obtain low accuracy levels when maps derived from LANDSAT MSS data are compared with those made by conventional methods. Procedures developed for the IDIMS computer system and used to classify a subset of a TM image of the Death Valley, California - Nevada border are described. Despite the superior resolution, broader spectral coverage, and greater sensitivity inherent to the TM, the actual recorded measured accuracy was in the same narrow range (30 to 60%) recorded for MSS data from earlier LANDSATs. The supervised classification approach appears to be superior to the unsupervised approach when applied to vegetation-sparse surfaces composed of spectrally contrasting rock/soil units distributed in relatively flat to low relief terrain. As spatial resolution improves and optimal spectral bands for identifying rock materials are specified, use of classified multispectral remote sensing data from air and space when coupled with supporting field calibration and checks should become the dominant way in which geologic mapping is carried out in future decades.

Short, N. M.↗
NASA NTRS1984

Non-enzymatic template-directed synthesis on RNA random copolymers - Poly(C, U) templates

Random copolymer templates containing cytosine and uracil in ratios of 3:1 and 1:1 are used to explore the optimum conditions for efficient synthesis of guanine and adenine-containing oligonucleotides. The experimental procedure is described, including the preparation of mononucleoside 5'-phospho-2-methylimidazolides and random copolymers, the template-directed oligomerization, the removal and reintroduction of mononucleotides in interrupted reactions, the determination of oligomerization efficiency, the alkaline and enzymatic hydrolysis of reaction products, and the column chromatography. Results are presented and discussed for the dependence of adenine incorporation on the formation of short oligo(G)s, optimization of incorporation efficiencies by adjusting monomer concentrations, the characterization of oligomeric product distribution, and the regiospecificity of adenine incorporation. The prebiotic significance of the results is assessed.

Joyce, G. F.↗
NASA NTRS1986

Shaping of airplane fuselages for minimum drag

The VSAERO surface panel method is employed to investigate fuselage shapes which can enhance the natural laminar flow (NLF) characteristics. The study is performed at cruise Re which are relevant to commuter, transport, and business aircraft. The technique is based on piecewise constant doublet and source singularities and takes into account the effects of compressibility. Inviscid pressure distributions were generated for five configurations to aid in the search for an optimized NLF body shape as a function of the transition locations and the drag coefficients. Granville's transition criteria are incorporated into the calculations to yield shapes with longer runs of laminar flow and reduced drag. In comparison with other transition prediction methods, the method described is shown to have significantly higher valicity for making three-dimensional transition predictions.

Dodbele, S. S.↗
NASA NTRS1989

On processing development for fabrication of fiber reinforced composite, part 2

Fiber-reinforced composite laminates are used in many aerospace and automobile applications. The magnitudes and durations of the cure temperature and the cure pressure applied during the curing process have significant consequences for the performance of the finished product. The objective of this study is to exploit the potential of applying the optimization technique to the cure cycle design. Using the compression molding of a filled polyester sheet molding compound (SMC) as an example, a unified Computer Aided Design (CAD) methodology, consisting of three uncoupled modules, (i.e., optimization, analysis and sensitivity calculations), is developed to systematically generate optimal cure cycle designs. Various optimization formulations for the cure cycle design are investigated. The uniformities in the distributions of the temperature and the degree with those resulting from conventional isothermal processing conditions with pre-warmed platens. Recommendations with regards to further research in the computerization of the cure cycle design are also addressed.

Hou, Tan-Hung↗
NASA NTRS1990

Aeroelastic optimization of a helicopter rotor using an efficient sensitivity analysis

To reduce oscillatory hub loads in forward flight, a structural optimization analysis of a hingeless helicopter rotor has been developed and applied. The aeroelastic analysis of the rotor is based on a finite element method in space and time, and linked with automated optimization algorithms. For the optimization analysis two types of structural representation are used: a generic stiffness-distribution and a single-cell thin-walled beam. For the first type, the design variables are nonstructural mass and its placement, chordwise center of gravity offset from the elastic axis, and stiffness. For the second type, width, height and thickness of spar are used as design variables. For the behavior constraints, frequency placement, autorotational inertia and aeroelastic stability of the blade are included. The required sensitivity derivatives are obtained using a direct analytical approach. An optimum oscillatory hub load shows a 25-77 percent reduction for the generic blade, and 30-50 percent reduction for the box-beam.

Lim, Joon W.↗
NASA NTRS1990

Payload accommodations. Avionics payload support architecture

Concepts for vehicle and payload avionics architectures for future NASA programs, including the Assured Shuttle Access program, Space Station Freedom (SSF), Shuttle-C, Advanced Manned Launch System (AMLS), and the Lunar/Mars programs are discussed. Emphasis is on the potential available to increase payload services which will be required in the future, while decreasing the operational cost/complexity by utilizing state of the art advanced avionics systems and a distributed processing architecture. Also addressed are the trade studies required to determine the optimal degree of vehicle (NASA) to payload (customer) separation and the ramifications of these decisions.

Creasy, Susan L.↗
NASA NTRS1991

Cardiovascular Adjustments to Gravitational Stress

The effects of gravity on the cardiovascular system must be taken into account whenever a hemodynamic assessment is made. All intravascular pressure have a gravity-dependent hydrostatic component. The interaction between the gravitational field, the position of the body, and the functional characteristics of the blood vessels determines the distribution of intravascular volume. In turn this distribution largely determines cardiac pump function. Multiple control mechanisms are activated to preserve optimal tissue perfusion when the magnitude of the gravitational field or its direction relative to the body changes. Humans are particularly sensitive to such changes because of the combination of their normally erect posture and the large body mass and blood volume below the level of the heart. Current aerospace technology also exposes human subjects to extreme variations in the gravitational forces that range from zero during space travel to as much an nine-times normal during operation of high-performance military aircraft. This chapter therefore emphasizes human physiology.

Blomqvist, C. Gunnar↗
NASA NTRS1987

High-speed code validation

The topics are presented in viewgraph form and include the following: NFL body experiment; high-speed validation problems; 3-D Euler/Navier-Stokes inlet code; two-strut inlet configuration; pressure contours in two longitudinal planes; sidewall pressure distribution; pressure distribution on strut inner surface; inlet/forebody tests in 60 inch helium tunnel; pressure distributions on elliptical missile; code validations; small scale test apparatus; CARS nonintrusive measurements; optimized cone-derived waverider study; etc.

Barnwell, Richard W.↗
NASA NTRS2011

Thermal Structure and Dynamics of Saturn's Northern Springtime Disturbance

This article combined several infrared datasets to study the vertical properties of Saturn's northern springtime storm. Spectroscopic observations of Saturn's northern hemisphere at 0.5 and 2.5 / cm spectral resolution were provided by the Cassini Composite Infrared Spectrometer (CIRS, 17). These were supplemented with narrow-band filtered imaging from the ESO Very Large Telescope VISIR instrument (16) to provide a global spatial context for the Cassini spectroscopy. Finally, nightside imaging from the Cassini Visual and Infrared Mapping Spectrometer (VIMS, 22) provided a glimpse of the undulating cloud activity in the eastern branch of the disturbance. Each of these datasets, and the methods used to reduce and analyse them, will be described in detail below. Spatial maps of atmospheric temperatures, aerosol opacity and gaseous distributions are derived from infrared spectroscopy using a suite of radiative transfer and optimal estimation retrieval tools developed at the University of Oxford, known collectively as Nemesis (23). Synthetic spectra created from a reference atmospheric model for Saturn and appropriate sources of spectroscopic line data (6, 24) are convolved with the instrument function for each dataset. Atmospheric properties are then iteratively adjusted until the measurements are accurately reproduced with physically-realistic temperatures, compositions and cloud opacities.

Fletcher, Leigh N.↗
NASA NTRS1994

Electrochemical Characterization of InP and GaAs Based Structures for Space Solar Cell Applications.

In this paper the emphasis is on accurate majority carrier concentration EC-V profiling of structures based on Indium Phosphide and Gallium Arsenide, using a newly developed electrolyte based on Hydrogen Flouride, Acetic Acid, Phosphoric Acid, 1-phenyl-2-propanamine and Ammonia Diflouride. Some preliminary data on the use of this electrolyte for determining the energy distribution of surface and deep states of these structures, applicable to fabrication process optimization and radiation induced defects studies of solar cells, are also provided.

Faur, Maria↗
NASA NTRS2016

Enabling Wireless Avionics Intra-Communications

The Electromagnetics and Sensors Branch of NASA Langley Research Center (LaRC) is investigating the potential of an all-wireless aircraft as part of the ECON (Efficient Reconfigurable Cockpit Design and Fleet Operations using Software Intensive, Networked and Wireless Enabled Architecture) seedling proposal, which is funded by the Convergent Aeronautics Solutions (CAS) project, Transformative Aeronautics Concepts (TAC) program, and NASA Aeronautics Research Institute (NARI). The project consists of a brief effort carried out by a small team in the Electromagnetic Environment Effects (E3) laboratory with the intention of exposing some of the challenges faced by a wireless communication system inside the reflective cavity of an aircraft and to explore potential solutions that take advantage of that environment for constructive gain. The research effort was named EWAIC for "Enabling Wireless Aircraft Intra-communications." The E3 laboratory is a research facility that includes three electromagnetic reverberation chambers and equipment that allow testing and generation of test data for the investigation of wireless systems in reflective environments. Using these chambers, the EWAIC team developed a set of tests and setups that allow the intentional variation of intensity of a multipath field to reproduce the environment of the various bays and cabins of large transport aircraft. This setup, in essence, simulates an aircraft environment that allows the investigation and testing of wireless communication protocols that can effectively be used as a tool to mitigate some of the risks inherent to an aircraft wireless system for critical functions. In addition, the EWAIC team initiated the development of a computational modeling tool to illustrate the propagation of EM waves inside the reflective cabins and bays of aircraft and to obtain quantifiable information regarding the degradation of signals in aircraft subassemblies. The nose landing gear of a UAV CAD model was used to model the propagation of a system in a "deployed" configuration versus a "stowed" configuration. The differences in relative field strength provide valuable information about the distribution of the field that can be used to engineer RF links with optimal radiated power and antenna configuration that accomplish the intended system reliability. Such modeling will be necessary in subsequent studies for managing multipath propagation characteristics inside a main cabin and to understand more complex environments, such as the inside wings, landing gear bays, cargo bays, avionics bays, etc. The results of the short research effort are described in the present document. The team puts forth a set of recommendations with the intention of informing the project and program leadership of the future work that, in the opinion of the EWAIC team, would assist the ECON team reach the intended goal of developing an all-wireless aircraft.

Torres, Omar↗
DOE OSTI2021

Wave Resource Spatial and Temporal Variability Dependence on WEC Size

As the wave energy sector grows and looks to the Blue Economy for commercialization opportunities, there is a distinct and pressing need to clearly understand and quantify the coupled impacts of wave energy converter (WEC) size and wave resource characteristics on the annual energy production, spatial variability and temporal variability. Utilizing generic frequency domain representations of the Oscilla Power Triton WEC and spectral wave conditions at PacWave (Oregon), Los Angeles (California) and WETS (Hawaii), a series of interesting results emerge. Firstly, the 'optimal' WEC size, from an energy standpoint, is fundamentally dependent on the frequency distribution of the incoming wave variance density spectrum. Secondly, and from a seasonality perspective, the seasonal WEC energy generation doesn't necessarily follow the seasonal distribution of gross wave power. Finally, from an hourly power variability perspective, a reduction in WEC size generally decreases variability. However, for each of the locations investigated, there appears to be a WEC size threshold; a threshold where further reducing WEC size results in increased power variability.

blue economy↗