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At least 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Unsupervised machine learning discovery of structural units and transformation pathways from imaging data

We show that unsupervised machine learning can be used to learn chemical transformation pathways from observational Scanning Transmission Electron Microscopy (STEM) data. To enable this analysis, we assumed the existence of atoms, a discreteness of atomic classes, and the presence of an explicit relationship between the observed STEM contrast and the presence of atomic units. With only these postulates, we developed a machine learning method leveraging a rotationally invariant variational autoencoder (VAE) that can identify the existing molecular fragments observed within a material. The approach encodes the information contained in STEM image sequences using a small number of latent variables, allowing the exploration of chemical transformation pathways by tracing the evolution of atoms in the latent space of the system. The results suggest that atomically resolved STEM data can be used to derive fundamental physical and chemical mechanisms involved, by providing encodings of the observed structures that act as bottom-up equivalents of structural order parameters. The approach also demonstrates the potential of variational (i.e., Bayesian) methods in the physical sciences and will stimulate the development of more sophisticated ways to encode physical constraints in the encoder–decoder architectures and generative physical laws and causal relationships in the latent space of VAEs.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1986

Tactical missile aerodynamics

The present conference on tactical missile aerodynamics discusses autopilot-related aerodynamic design considerations, flow visualization methods' role in the study of high angle-of-attack aerodynamics, low aspect ratio wing behavior at high angle-of-attack, supersonic airbreathing propulsion system inlet design, missile bodies with noncircular cross section and bank-to-turn maneuvering capabilities, 'waverider' supersonic cruise missile concepts and design methods, asymmetric vortex sheding phenomena from bodies-of-revolution, and swept shock wave/boundary layer interaction phenomena. Also discussed are the assessment of aerodynamic drag in tactical missiles, the analysis of supersonic missile aerodynamic heating, the 'equivalent angle-of-attack' concept for engineering analysis, the vortex cloud model for body vortex shedding and tracking, paneling methods with vorticity effects and corrections for nonlinear compressibility, the application of supersonic full potential method to missile bodies, Euler space marching methods for missiles, three-dimensional missile boundary layers, and an analysis of exhaust plumes and their interaction with missile airframes.

Hemsch, Michael J.↗
NASA NTRSDate not supplied

Statistical Descriptors of Composite Fiber Aggregation

This study introduces a method of characterizing fiber aggregation and resin rich regions in composite microstructures. Microscale models of representative elements (RVE) need to be indicative of the extend of clustering (i.e. close fiber-to-fiber interaction) and resin rich “pools” which may impact the overall strength and performance of a composite structure. This algorithm was used to evaluate different unidirectional 2-D microstructure scans, which will be compared to their manufacturing method or any special treatment processes. These cluster and pool scan statistics can be used as criteria to judge statistical equivalency of artificially constructed microstructures.

Statistics↗
NASA NTRS2000

Low Order Equivalent System Identification for the Tu-144LL Supersonic Transport Aircraft

Low order equivalent system models were identified from flight test data for the Tu-144LL supersonic transport aircraft. Flight test maneuvers were executed by Russian and American test Pilots flying the aircraft from Zhukovsky airfield outside Moscow, Russia. Flight tests included longitudinal and lateral / directional maneuvers at supersonic cruise flight conditions. Piloted frequency sweeps and multi-step maneuvers were used to generate data for closed loop low order equivalent system modeling. Model parameters were estimated using a flexible. high accuracy Fourier transform and an equation error / output error (EE/OE) formulation in the frequency domain. Results were compared to parameter estimates obtained using spectral estimation and subsequent least squares fit to frequency response data in Bode plots. Modeling results from the two methods agreed well for both a frequency sweep and multiple concatenated multi-step maneuvers. For a single multi-step maneuvers the EE/OE method gave a better model fit with improved prediction capability. A summary of closed loop low order equivalent system identification results for the Tu-144LL, including estimated parameters, standard errors, and flying qualities level predictions, were computed and tabulated.

Morelli, Eugene A.↗
NASA NTRS2000

Low Order Equivalent System for the Tu-144LL Supersonic Transport Aircraft

Low order equivalent system models were identified from flight test data for the Tu- 144LL supersonic transport aircraft. Flight test maneuvers were executed by Russian and American test pilots flying the aircraft from Zhukovsky airfield outside Moscow, Russia. Flight tests included longitudinal and lateral/directional maneuvers at supersonic cruise flight conditions. Piloted frequency sweeps and multi-step maneuvers were used to Generate data for p closed loop low order equivalent system modeling Model parameters were estimated using a flexible, high accuracy Fourier transform and an equation error output error (EE/OE) formulation in the frequency domain. Results were compared to parameter estimates obtained using spectral estimation and subsequent least squares fit to frequency response data in Bode plots. Modeling results from the two methods a-reed well for both a frequency sweep and multiple concatenated multi-step maneuvers. For a single multi-step maneuver, the EE/OE method gave a better model fit with improved prediction capability. A summary of closed loop low order equivalent system identification results for the Tu-144LL. including estimated parameters, standard errors, and flying qualities level predictions, were computed and tabulated.

Morelli, Eugene A.↗
NASA NTRS1995

Elliptic surface grid generation on minimal and parametrized surfaces

An elliptic grid generation method, which generates boundary conforming grids in a two dimensional physical space, is presented. The method is based on the composition of an algebraic and elliptic transformation. The composite mapping obeys the Poisson grid generation system with control functions specified by the algebraic transformation. It is shown that the grid generation on a minimal surface in a three dimensional space is equivalent to the grid generation in a two dimensional domain in physical space. A second elliptic grid generation method, which generates boundary conforming grids on smooth surfaces, is presented. Concerning surface modeling, it is shown that bicubic Hermit interpolation is an excellent method to generate a smooth surface crossing a discrete set of control points.

Spekreijse, S. P.↗
NASA NTRS1995

Elliptic surface grid generation on minimal and parmetrized surfaces

An elliptic grid generation method is presented which generates excellent boundary conforming grids in domains in 2D physical space. The method is based on the composition of an algebraic and elliptic transformation. The composite mapping obeys the familiar Poisson grid generation system with control functions specified by the algebraic transformation. New expressions are given for the control functions. Grid orthogonality at the boundary is achieved by modification of the algebraic transformation. It is shown that grid generation on a minimal surface in 3D physical space is in fact equivalent to grid generation in a domain in 2D physical space. A second elliptic grid generation method is presented which generates excellent boundary conforming grids on smooth surfaces. It is assumed that the surfaces are parametrized and that the grid only depends on the shape of the surface and is independent of the parametrization. Concerning surface modeling, it is shown that bicubic Hermite interpolation is an excellent method to generate a smooth surface which is passing through a given discrete set of control points. In contrast to bicubic spline interpolation, there is extra freedom to model the tangent and twist vectors such that spurious oscillations are prevented.

Spekreijse, S. P.↗
DOE OSTI2024

A prototype scintillator real‐time beam monitor for ultra‐high dose rate radiotherapy

Background: FLASH Radiotherapy (RT) is an emergent cancer RT modality where an entire therapeutic dose is delivered at more than 1000 times higher dose rate than conventional RT. For clinical trials to be conducted safely, a precise and fast beam monitor that can generate out-of-tolerance beam interrupts is required. This paper describes the overall concept and provides results from a prototype ultra-fast, scintillator-based beam monitor for both proton and electron beam FLASH applications. Purpose: A FLASH Beam Scintillator Monitor (FBSM) is being developed that employs a novel proprietary scintillator material. The FBSM has capabilities that conventional RT detector technologies are unable to simultaneously provide: (1) large area coverage; (2) a low mass profile; (3) a linear response over a broad dynamic range; (4) radiation hardness; (5) real-time analysis to provide an IEC-compliant fast beam-interrupt signal based on true two-dimensional beam imaging, radiation dosimetry and excellent spatial resolution. Methods: The FBSM uses a proprietary low mass, less than 0.5 mm water equivalent, non-hygroscopic, radiation tolerant scintillator material (designated HM: hybrid material) that is viewed by high frame rate CMOS cameras. Folded optics using mirrors enable a thin monitor profile of ∼10 cm. A field programmable gate array (FPGA) data acquisition system generates real-time analysis on a time scale appropriate to the FLASH RT beam modality: 100–1000 Hz for pulsed electrons and 10–20 kHz for quasi-continuous scanning proton pencil beams. An ion beam monitor served as the initial development platform for this work and was tested in low energy heavy-ion beams ( 86 Kr +26 and protons). A prototype FBSM was fabricated and then tested in various radiation beams that included FLASH level dose per pulse electron beams, and a hospital RT clinic with electron beams. Results: Results presented in this report include image quality, response linearity, radiation hardness, spatial resolution, and real-time data processing. Furthermore, the HM scintillator was found to be highly radiation damage resistant. It exhibited a small 0.025%/kGy signal decrease from a 216 kGy cumulative dose resulting from continuous exposure for 15 min at a FLASH compatible dose rate of 237 Gy/s. Measurements of the signal amplitude versus beam fluence demonstrate linear response of the FBSM at FLASH compatible dose rates of >40 Gy/s. Comparison with commercial Gafchromic film indicates that the FBSM produces a high resolution 2D beam image and can reproduce a nearly identical beam profile, including primary beam tails. The spatial resolution was measured at 35–40 µm. Tests of the firmware beta version show successful operation at 20 000 Hz frame rate or 50 µs/frame, where the real-time analysis of the beam parameters is achieved in less than 1 µs. Conclusions: The FBSM is designed to provide real-time beam profile monitoring over a large active area without significantly degrading the beam quality. A prototype device has been staged in particle beams at currents of single particles up to FLASH level dose rates, using both continuous ion beams and pulsed electron beams. Using a novel scintillator, beam profiling has been demonstrated for currents extending from single particles to 10 nA currents. Radiation damage is minimal and even under FLASH conditions would require ≥50 kGy of accumulated exposure in a single spot to result in a 1% decrease in signal output. Beam imaging is comparable to radiochromic films, and provides immediate images without hours of processing. Real-time data processing, taking less than 50 µs (combined data transfer and analysis times), has been implemented in firmware for 20 kHz frame rates for continuous proton beams.

2D beam imaging↗
DOE OSTI2021

Replacing liquid fossil fuels and hydrocarbon chemical feedstocks with liquid biofuels from large-scale nuclear biorefineries

Liquid fossil fuels (1) enable transportation and (2) provide energy for mobile work platforms and (3) supply dispatchable energy to highly variable demand (seasonal heating and peak electricity). We describe a system to replace liquid fossil fuels with drop-in biofuels including gasoline, diesel and jet fuel. Because growing biomass removes carbon dioxide from the air, there is no net addition of carbon dioxide to the atmosphere from burning biofuels. In addition, with proper management, biofuel systems can sequester large quantities of carbon as soil organic matter, improving soil fertility and providing other environmental services. In the United States liquid biofuels can potentially replace all liquid fossil fuels. The required system has two key features. First, the heat and hydrogen for conversion of biomass into high-quality liquid fuels is provided by external low-carbon energy sources--nuclear energy or fossil fuels with carbon capture and sequestration. Using external energy inputs can almost double the energy content of the liquid fuel per unit of biomass feedstock by fully converting the carbon in biomass into a hydrocarbon fuel. Second, competing effectively with fossil fuels requires very large biorefineries—the equivalent of a 250,000 barrel per day oil refinery. This requires commercializing methods for converting local biomass into high-density storable feedstocks that can be economically shipped to large-scale biorefineries.

09 - BIOMASS FUELS↗
DOE OSTI2022

A computationally efficient algorithm for computing convex hull prices

Electricity markets worldwide allow participants to bid non-convex production offers. While non-convex offers can more accurately reflect a resource's capabilities, they create challenges for market clearing processes. For example, system operators may be required to execute side payments to participants whose costs are not covered through energy sales as determined via traditional locational marginal pricing schemes. Convex hull pricing minimizes this and other types of side payments while providing uniform (i.e., locationally and temporally consistent) prices. Computing convex hull prices involves solving either a large-scale linear program or the Lagrangian dual of the corresponding non-convex scheduling problem. Further, the former approach requires explicit descriptions of market participants' convex hulls. While linear programs for computing convex hull prices are large, their structure is naturally decomposable by generators. Here, in this work, we propose and empirically analyze a Benders decomposition approach to computing convex hull prices that leverages recent advances in convex hull formulations for thermal generating units. We demonstrate across a large set of test instances that our decomposition approach only requires modest computational effort, obtaining solutions at least an order of magnitude faster than the equivalent large-scale linear programming approach. Overall, we provide a computationally feasible method for computing convex hull prices for industrial scale market clearing problems, enabling the possibility of practical adoption of this advanced pricing mechanism.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Elucidating Electron Storage and Distribution within the Pentaheme Scaffold of Cytochrome c Nitrite Reductase (NrfA)

Cytochrome c nitrite reductases (CcNIR or NrfA) play important roles in the global nitrogen cycle by conserving the usable nitrogen in the soil. Here, the electron storage and distribution properties within the pentaheme scaffold of Geobacter lovleyi NrfA were investigated via EPR spectroscopy coupled with chemical titration experiments. Initially, a chemical reduction method was established to sequentially add electrons to the fully oxidized protein, one equivalent at a time. The step–by–step reduction of the hemes was then followed using UV–Vis and EPR spectroscopy. EPR–spectral simulations elucidate the sequence of heme reduction within the pentaheme scaffold, and identify the signals of all five hemes in the EPR spectra. Electrochemical experiments ascertain the reduction potentials for each heme, observed in a narrow +11 (Heme 5) to –212 mV (Heme 3) range (vs SHE). Based on quantitative analysis/simulation of the EPR data, we demonstrate that Hemes 4 and 5 are reduced first (before the active site Heme 1) and serve the purpose of an electron storage unit within the protein. To probe the role of the central Heme 3, a H108M NrfA variant was generated where the reduction potential of Heme 3 is shifted positively (from –212 mV to +29 mV). Here, the H108M mutation significantly impacts the distribution of electrons within the pentaheme scaffold and the reduction potentials of the hemes, reducing the catalytic activity of the enzyme to 3% compared to wild–type. We propose that this is due to Heme 3’s important role as an electron gateway in the wild–type enzyme.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Resonant Soft X-Ray Scattering from Stripe-Ordered La 2 - x Ba x Cu O 4 Detected by a Transition-Edge Sensor Array Detector

Resonant soft x-ray scattering (RSXS) is a leading probe of valence-band order in materials best known for detecting charge-density-wave order in copper-oxide superconductors. One of the biggest limitations on the RSXS technique is the presence of a severe fluorescence background, which, like the RSXS cross section itself, is enhanced under resonant conditions. This background prevents the study of weak signals such as diffuse scattering from glassy or fluctuating order that is spread widely over momentum space. Recent advances in superconducting transition-edge-sensor (TES) detectors have led to major improvements in energy resolution and detection efficiency in the soft x-ray range. Here, we perform a RSXS study of stripe-ordered La 2 - x Ba x Cu O 4 at the Cu L 3 / 2 edge (932.2 eV) using a TES detector with 1.5-eV resolution, to evaluate its utility for mitigating the fluorescence-background problem. We find that, for suitable degree of detuning from the resonance, the TES rejects the fluorescence background, leading to a five to ten times improvement in the statistical quality of the data compared to an equivalent, energy-integrated measurement. We conclude that a TES introduces a promising method to reducing background in RSXS studies and may lead to discoveries in materials exhibiting valence-band order that is fluctuating or glassy.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Different Ways to Formulate the Statistical Theory of Fission Chains

We describe the statistical theory of fission chains and how different ways of formulating it are mathematically equivalent. When confronted with actual data and the burden of finite statistics, different methods of expressing the theory offer advantages for understanding the underlying source parameters from an information theory standpoint.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

VERA Enhancements for Cross Section Shielding and Geometry Capabilities

Two tasks were undertaken in FY22 that focus on VERA enhancements. The first task involved improvements to the new cross section shielding capability that was added to VERA in FY21. This cell-based capability solves the slowing down problem for each pin cell using Dancoff factors calculated from the whole-core problem. The Dancoff factors are determined for each subgroup level for important sets of materials such as fuel rods, control rods, fuel rods loaded with gad, etc. The cross-section shielding is then performed for each cell using a 1D cylindrical collision probabilities (CP) calculation to obtain the equivalence cross sections required for the core transport calculations. The advantage of this method over the whole-core subgroup calculations is efficiency, since far fewer sweeps of the entire core are required.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1975

Application of LANDSAT and Skylab data for land use mapping in Italy

Utilizing LANDSAT and Skylab multispectral imagery of 1972 and 1973, a land use map of the mountainous regions of Italy was evaluated at a scale of 1:250,000. Seven level I categories were identified by conventional methods of photointerpretation. Images of multispectral scanner (MSS) bands 5 and 7, or equivalents were mainly used. Areas of less than 200 by 200 m were classified and standard procedures were established for interpretation of multispectral satellite imagery. Land use maps were produced for central and southern Europe indicating that the existing land use maps could be updated and optimized. The complexity of European land use patterns, the intensive morphology of young mountain ranges, and time-cost calculations are the reasons that the applied conventional techniques are superior to automatic evaluation.

Bodechtel, J.↗
NASA NTRS1976

Pollutant formation in fuel lean recirculating flows

An opposed reacting jet combustor (ORJ) was tested at a pressure of 1 atmosphere. A premixed propane/air stream was stabilized by a counterflowing jet of the same reactants. The resulting intensely mixed zone of partially reacted combustion products produced stable combustion at equivalence ratios as low as 0.45. Measurements are presented for main stream velocities of 7.74 and 13.6 m/sec with an opposed jet velocity of 96 m/sec, inlet air temperatures from 300 to 600 K, and equivalence ratios from 0.45 to 0.625. Fuel lean premixed combustion was an effective method of achieving low NOx emissions and high combustion efficiencies simultaneously. Under conditions promoting lower flame temperature, NO2 constituted up to 100 percent of the total NOx. At higher temperatures this percentage decreased to a minimum of 50 percent.

Schefer, R. W.↗
NASA NTRS1981

Comments on Reynolds number effects and the role of NTF in the development of air vehicles

The National Transonic Facility (NTF) capability to match the full scale Reynolds numbers of all but the largest airplanes is discussed. Conversion factors to enable calculation of Sl-unit equivalents for all U.S. units are listed. Using data from several facilities, analytic methods, and flight test data, a competetive aircraft in the relatively low Reynolds number was developed. The NTF offers the capability to obtain data at full scale Reynolds numbers in the cruise condition for most of the products, and will be much closer than previous tunnels to full scale Reynolds number for the operating envelopes. It is primarily on the operating envelope that Reynolds number effects are most important and least predictable.

Nagel, A. L.↗