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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 1,225 records · Page 68

Learning to Solve Large-Scale Security-Constrained Unit Commitment Problems

Security-constrained unit commitment (SCUC) is a fundamental problem in power systems and electricity markets. In practical settings, SCUC is repeatedly solved via mixed-integer linear programming (MIP), sometimes multiple times per day, with only minor changes in input data. In this work, we propose a number of machine learning techniques to effectively extract information from previously solved instances in order to significantly improve the computational performance of MIP solvers when solving similar instances in the future. Based on statistical data, we predict redundant constraints in the formulation, good initial feasible solutions, and affine subspaces where the optimal solution is likely to lie, leading to a significant reduction in problem size. Computational results on a diverse set of realistic and large-scale instances show that using the proposed techniques, SCUC can be solved on average 4.3 times faster with optimality guarantees and 10.2 times faster without optimality guarantees, with no observed reduction in solution quality. Out-of-distribution experiments provide evidence that the method is somewhat robust against data-set shift. Summary of Contribution. The paper describes a novel computational method, based on a combination of mixed-integer linear programming (MILP) and machine learning (ML), to solve a challenging and fundamental optimization problem in the energy sector. The method advances the state-of-the-art, not only for this particular problem, but also, more generally, in solving discrete optimization problems via ML. We expect that the techniques presented can be readily used by practitioners in the energy sector and adapted, by researchers in other fields, to other challenging operations research problems that are solved routinely.

Machine Learning↗

Studies on Printability Methodologies and Directed-Energy-Deposition-Fabricated Iron Alloys for Nuclear Applications

This report provides results from a printability study of laser directed energy deposition (DED)-based additive manufacturing of nuclear-grade stainless steels as well as DED process parameter development for austenitic Alloy 709 (A709) and ferritic/martensitic Grade 91 (G91) and Grade 92 (G92) steels. The printability study includes the use of machine learning and physics-based modeling via commercial software such as FLOW-3D for insights into the impact of the alloy composition, particularly the carbon content, on the printability of stainless steels during the DED process. In the DED process development work, 1 cm 3 alloy blocks were deposited with broad ranges of laser powers, scan speeds, and hatch spacings to optimize the build quality, resulting in densities of more than 99.8% for all three alloys. The microstructure and mechanical properties were characterized using electron microscopy, X-ray diffraction, and Vickers hardness measurements. Further, tensile samples were extracted from DED-fabricated alloys utilizing the optimized process parameters. The present work provides guidance and progress towards the successful deployment of the DED process for the fabrication of structural components of nuclear reactors.

36 MATERIALS SCIENCE↗

Overview of IMPACT Data Acquisition System and Data Reduction Process

This report documents the development of the data acquisition system (DAS) and data reduction methodologies for the Irradiated Material Property Accelerated Characterization Test (IMPACT) experiment at the Advanced Test Reactor (ATR). The IMPACT experiment is designed to enable in-pile measurement of thermal conductivity in metallic nuclear fuels, specifically U-10Zr, using an instrumented thermal conductivity probe. The DAS supports both passive temperature monitoring and active thermal interrogation of the probe through controlled AC and DC excitation. Significant modifications to laboratory-scale systems were required to accommodate the higher resistance paths associated with the in-pile application. Custom electronics and relay-controlled measurement sequencing were developed to enable the measurement and sufficient power delivery to the sensing region. A reduced-order, axisymmetric thermal model based on the thermal quadrupoles method is presented to support data interpretation. This model enables efficient evaluation of transient heat transfer behavior and facilitates solution of the inverse problem required to extract thermal properties from measured signals. Multiple boundary condition formulations are discussed to address varying experimental time scales and geometries. Additionally, machine learning techniques are introduced to support data reduction and improve confidence in inverse solutions. Convolutional neural networks are applied to identify the presence of gas gaps and other evolving geometric features that significantly impact thermal response during irradiation. These efforts contribute to the broader integration of digital twin frameworks and real-time modeling capabilities within the Advanced Fuels Campaign.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗

Fourier Transform Infrared Spectroscopy of CF4 on the GEC Reference Cell

Fourier Transform Infrared Spectroscopy (FTIR) has been used to characterize inductively coupled CF4 plasmas in a GEC Reference Cell in-situ In examining these FTIR spectra, several assumptions and approximations of FTIR analysis are addressed. This includes the density dependence of cross-sections, non-linear effects in the addition of overlapping bands and the effect of spatial variations in density and temperature, This analysis demonstrates that temperatures extracted from MR spectra may provide a poor estimate of the true neutral plasma temperature. The FTIR spectra are dominated by unreacted CF, accounting for 40-60% of the gas products. The amount of CF4 consumption is found to have a marked dependence on power, and is nearly independent of pressure in the range of 10-50 mtorr. Small amounts of C2F6 are observed at low power. Also observed are etching products from the quartz window SiF4 COF2 and CO which occur in approximately equal ratios and together account for less than 10% of the gas. The concentrations of these species are nearly independent of pressure. CFx radicals are below the detection limit of this apparatus (approx. 1012/cc).

Rao, M. V. V. S.↗

Scientific Visualization and Computational Science: Natural Partners

Scientific visualization is developing rapidly, stimulated by computational science, which is gaining acceptance as a third alternative to theory and experiment. Computational science is based on numerical simulations of mathematical models derived from theory. But each individual simulation is like a hypothetical experiment; initial conditions are specified, and the result is a record of the observed conditions. Experiments can be simulated for situations that can not really be created or controlled. Results impossible to measure can be computed.. Even for observable values, computed samples are typically much denser. Numerical simulations also extend scientific exploration where the mathematics is analytically intractable. Numerical simulations are used to study phenomena from subatomic to intergalactic scales and from abstract mathematical structures to pragmatic engineering of everyday objects. But computational science methods would be almost useless without visualization. The obvious reason is that the huge amounts of data produced require the high bandwidth of the human visual system, and interactivity adds to the power. Visualization systems also provide a single context for all the activities involved from debugging the simulations, to exploring the data, to communicating the results. Most of the presentations today have their roots in image processing, where the fundamental task is: Given an image, extract information about the scene. Visualization has developed from computer graphics, and the inverse task: Given a scene description, make an image. Visualization extends the graphics paradigm by expanding the possible input. The goal is still to produce images; the difficulty is that the input is not a scene description displayable by standard graphics methods. Visualization techniques must either transform the data into a scene description or extend graphics techniques to display this odd input. Computational science is a fertile field for visualization research because the results vary so widely and include things that have no known appearance. The amount of data creates additional challenges for both hardware and software systems. Evaluations of visualization should ultimately reflect the insight gained into the scientific phenomena. So making good visualizations requires consideration of characteristics of the user and the purpose of the visualization. Knowledge about human perception and graphic design is also relevant. It is this breadth of knowledge that stimulates proposals for multidisciplinary visualization teams and intelligent visualization assistant software. Visualization is an immature field, but computational science is stimulating research on a broad front.

Uselton, Samuel P.↗

Pulsed Operation of an Ion Accelerator

Electronic circuitry has been devised to enable operation of an ion accelerator in either a continuous mode or a highpeak power, low-average-power pulsed mode. In the original intended application, the ion accelerator would be used as a spacecraft thruster and the pulse mode would serve to generate small increments of impulse for precise control of trajectories and attitude. The present electronic drive circuitry generates the extraction voltage in pulses. Pulse-width modulation can affect rapid, fine control of time-averaged impulse or ion flux down to a minimum level much lower than that achievable in continuous operation.

Wirz, Richard↗

Integration and Ruggedization of a Commercially Available Gas Chromatograph and Mass Spectrometer (GCMS) for the Resource Prospector Mission (RPM)

The Resource Prospector is a mission to prospect for lunar volatiles (primarily water) at one of the two lunar poles, as well as demonstrate In-Situ Resource Utilization (ISRU) on the Moon. The Resource Prospector consists of a lander, a rover, and a rover-borne scientific payload. The Regolith and Environment Science and Oxygen & Lunar Volatile Extraction (RESOLVE) payload, will be able to (1) locate near subsurface volatiles, (2) excavate and analyze samples of the volatile-bearing regolith, and (3) demonstrate the form, extractability and usefulness of the materials. The gas chromatograph mass spectrometer (GCMS) is the primary instrument in the RESOLVE instrumentation suite responsible for identification and quantification of the volatiles evolved from the lunar regolith. Specifically, this instrument must have: a low mass, a low power consumption, be able to perform fast analyses of samples ranging from less than one to greater than ninety nine percent water by mass, be autonomously controlled by the payload's software and avionics platform, and be able to operate in the harsh lunar environment. The RPM's short mission duration is the primary driver of the requirement for a very fast analysis time currently base lined at less than 2 minutes per sample. This presentation will discuss the requirements levied upon the GCMS design, lessons learned from a preliminary field demonstration deployment, the current design, and the path forward.

Loftin, Kathleen↗

Integration and Ruggedization of a Commercially Available Gas Chromatograph and Mass Spectrometer (GCMS) for the Resource Prospector Mission (RPM)

The Resource Prospector is a mission to prospect for lunar volatiles (primarily water) at one of the two lunar poles, as well as demonstrate In-Situ Resource Utilization (ISRU) on the Moon. The Resource Prospector consists of a lander, a rover, and a rover-borne scientific payload. The Regolith and Environment Science and Oxygen & Lunar Volatile Extraction (RESOLVE) payload, will be able to (1) locate near subsurface volatiles, (2) excavate and analyze samples of the volatile-bearing regolith, and (3) demonstrate the form, extractability and usefulness of the materials. The gas chromatograph mass spectrometer (GCMS) is the primary instrument in the RESOLVE instrumentation suite responsible for identification and quantification of the volatiles evolved from the lunar regolith. Specifically, this instrument must have: a low mass, a low power consumption, be able to perform fast analyses of samples ranging from less than one to greater than ninety nine percent water by mass, be autonomously controlled by the payload's software and avionics platform, and be able to operate in the harsh lunar environment. The RPM's short mission duration is the primary driver of the requirement for a very fast analysis time currently base lined at less than 2 minutes per sample. This presentation will discuss the requirements levied upon the GCMS design, lessons learned from a preliminary field demonstration deployment, the current design, and the path forward.

Loftin, Kathleen↗

Low power and privacy preserving sensor platform for occupancy detection

A low-cost, low-power, stand-alone sensor platform having a visible-range camera sensor, a thermopile array, a microphone, a motion sensor, and a microprocessor that is configured to perform occupancy detection and counting while preserving the privacy of occupants. The platform is programmed to extract shape/texture from images in spatial domain; motion from video in time domain; and audio features in frequency domain. Embedded binarized neural networks are used for efficient object of interest detection. The platform is also programmed with advanced fusion algorithms for multiple sensor modalities addressing dependent sensor observations. The platform may be deployed for (i) residential use in detecting occupants for autonomously controlling building systems, such as HVAC and lighting systems, to provide energy savings, (ii) security and surveillance, such as to detect loitering and surveil places of interest, (iii) analyzing customer behavior and flows, (iv) identifying high performing stores by retailers.

Velipasalar, Senem↗

Parametric Identification of Nonlinear Dynamical Systems

In this project, we looked at the application of harmonic balancing as a tool for identifying parameters (HBID) in a nonlinear dynamical systems with chaotic responses. The main idea is to balance the harmonics of periodic orbits extracted from measurements of each coordinate during a chaotic response. The periodic orbits are taken to be approximate solutions to the differential equations that model the system, the form of the differential equations being known, but with unknown parameters to be identified. Below we summarize the main points addressed in this work. The details of the work are attached as drafts of papers, and a thesis, in the appendix. Our study involved the following three parts: (1) Application of the harmonic balance to a simulation case in which the differential equation model has known form for its nonlinear terms, in contrast to a differential equation model which has either power series or interpolating functions to represent the nonlinear terms. We chose a pendulum, which has sinusoidal nonlinearities; (2) Application of the harmonic balance to an experimental system with known nonlinear forms. We chose a double pendulum, for which chaotic response were easily generated. Thus we confronted a two-degree-of-freedom system, which brought forth challenging issues; (3) A study of alternative reconstruction methods. The reconstruction of the phase space is necessary for the extraction of periodic orbits from the chaotic responses, which is needed in this work. Also, characterization of a nonlinear system is done in the reconstructed phase space. Such characterizations are needed to compare models with experiments. Finally, some nonlinear prediction methods can be applied in the reconstructed phase space. We developed two reconstruction methods that may be considered if the common method (method of delays) is not applicable.

Feeny, Brian↗

Solar cell contacts: quantifying the impact of interfacial layers on selectivity, recombination, charge transfer, and V oc

Interfacial layers (IFLs) are ubiquitous in solar cells, but their precise impact on carrier transfer rates and the relation of these rates to performance metrics and the concepts of selectivity and recombination is lacking. We report the use of a well-defined interdigitated back-contact (IBC) silicon solar cell to determine the precise role of such IFLs. We characterize the action of the common IFL spiro-OMeTAD by making it a third contact to the IBC cell. This architecture creates three solar cells within a single structure that, with numerical simulation, provide the exchange current densities (i.e., charge transfer rates) for electrons ( J 0n ) and holes ( J 0p ) and the quasi Fermi-level splitting in the absorber, which measures the balance of generation and recombination. Further, we describe the relation of V oc to contact recombination, the asymmetry in electron/hole collection rates at a single contact (contact selectivity), and the asymmetry in collection rates of the same carrier at separate contacts (carrier selectivity). Relative to bare gold, neat spiro-OMeTAD reduces J 0n and J 0p (their geometric mean ( J 0n J 0p ) 0.5 decreases by 10 4 ), decreasing contact recombination. Addition of the common dopant Li-TFSI and air increase J 0p / J 0n by 10 6 with little effect on ( J 0n J 0p ) 0.5 , increasing contact hole selectivity. The significant increase in V oc observed by introducing spiro-OMeTAD/Li-TFSI IFLs into the cells studied, however, is due to an increase in the carrier selectivity rather than the contact selectivity or recombination of the spiro-OMeTAD-modified contact. Operando measurements further show voltage-dependent changes in the J 0 s, demonstrating that spiro-OMeTAD contributes to hysteresis. Broader context : Solar cells operate by photogenerating excess charge carriers in an absorber material and, in competition with recombination, asymmetrically extracting them at so-called carrier-selective contacts, one that ideally collects only electrons and the other, only holes. Particularly in emerging photovoltaics such as perovskites, thin layers of organic semiconductors or related materials are introduced between the absorber and contact to improve power conversion efficiency. In terms of interfacial charge transfer, a prevailing view is that such interfacial layers improve performance by helping block the collection of the undesired carrier, considered a form of recombination. We use a novel platform to study the simultaneous impact of spiro-OMeTAD, a common interfacial layer, on the collection of electrons, the collection of holes, and on the recombination of electrons and holes. We quantitatively demonstrate that spiro-OMeTAD layers indeed passivate the contact toward recombination, but that larger improvements in the open-circuit voltage, a key cell metric, can come not only from this but also from increasing the asymmetry of the collection of electrons in the system. Further, operando measurements show transient changes in the properties of spiro-OMeTAD which suggest that it contributes to hysteresis phenomena commonly observed in perovskite and other solar cells.

36 MATERIALS SCIENCE↗

Excess noise in high-current diamond diodes

We report the results of an investigation of low-frequency excess noise in high-current diamond diodes. It was found that the electronic excess noise of the diamond diodes is dominated by the 1/f and generation-recombination noise, which reveals itself as Lorentzian spectral features (f is the frequency). The generation-recombination bulges are characteristic of diamond diodes with lower turn-on voltages. The noise spectral density dependence on forward current, I, reveals three distinctive regions in all examined devices—it scales as I 2 at the low (I < 10 μA) and high (I > 10 mA) currents and, rather unusually, remains nearly constant at the intermediate current range. The characteristic trap time constants, extracted from the noise data, show a uniquely strong dependence on current. Interestingly, the performance of the diamond diodes improves with the increasing temperature. The obtained results are important for the development of noise spectroscopy-based approaches for device reliability assessment for high-power diamond electronics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Covariance matrices for variance-suppressed simulations

ABSTRACT Cosmological N-body simulations provide numerical predictions of the structure of the Universe against which to compare data from ongoing and future surveys, but the growing volume of the Universe mapped by surveys requires correspondingly lower statistical uncertainties in simulations, usually achieved by increasing simulation sizes at the expense of computational power. It was recently proposed to reduce simulation variance without incurring additional computational costs by adopting fixed-amplitude initial conditions. This method has been demonstrated not to introduce bias in various statistics, including the two-point statistics of galaxy samples typically used for extracting cosmological parameters from galaxy redshift survey data, but requires us to revisit current methods for estimating covariance matrices of clustering statistics for simulations. In this work, we find that it is not trivial to construct covariance matrices analytically for fixed-amplitude simulations, but we demonstrate that ezmock (Effective Zel’dovich approximation mock catalogue), the most efficient method for constructing mock catalogues with accurate two- and three-point statistics, provides reasonable covariance matrix estimates for such simulations. We further examine how the variance suppression obtained by amplitude-fixing depends on three-point clustering, small-scale clustering, and galaxy bias, and propose intuitive explanations for the effects we observe based on the ezmock bias model.

79 ASTRONOMY AND ASTROPHYSICS↗

Glass formulation and composition optimization with property models: A review

Abstract Glass is a versatile material with a remarkable history and many practical applications. It plays a critical role in our everyday lives, the advancement of science, and the development of many technologies. The Edisonian type trial‐and‐error method was commonly used for conventional design of glass compositions, which was time‐consuming and costly. With the urgent need to develop new glass compositions for technology applications rapidly, it has become necessary to develop precise property models with predictive powers using large databases and efficient formulation approaches. This paper reviews the design of glass compositions using these analytical and numerical models of composition–structure–property relations of glasses, some based on large databases and machine learning approaches. Aspects of data collection, model fitting, feature extraction, model evaluation, and uncertainty quantification will be covered. Furthermore, advances in the glass optimization framework and available tools are summarized with examples. The outlook and perspective for further glass property model development and formulation approaches are discussed.

Lu, Xiaonan↗

On the identification of normal modes of oscillation from observations of the solar periphery

The decomposition of solar oscillations into their constituent normal modes requires a knowledge of both the spatial and temporal variation of the perturbation to the Sun's surface. The task is especially difficult when only limited spatial information is available. Observations of the limb darkening function, for example, are probably sensitive to too large a number of modes to permit most of the modes to be identified in a power spectrum of measurements at only a few points on the limb, unless the results are combined with other data. A procedure was considered by which the contributions from quite small groups of modes to spatially well resolved data obtained at any instant can be extracted from the remaining modes. Combining these results with frequency information then permits the modes to be identified, at least if their frequencies are low enough to ensure that modes of high degree do not contribute substantially to the signal.

Gough, D. D.↗

Advanced infrared astronomy

This task supports the application of infrared heterodyne and Fourier transform spectroscopy to ultra-high resolution studies of molecular constituents of planetary astomspheres and cometary comae. High spectral and spatial resolutions are especially useful for detection and study of localized, non-thermal phenomena in low temperature and low density regions, for detection of trace constituents and for measurement of winds and dynamical phenomena such as thermal tides. Measurement and analysis of individual spectial lines permits retrieval of atmospheric molecular abundances and temperatures and thus, information on local photochemical processes. Determination of absolute line positions to better than 10 to the minus eighth power permits direct measurements of gas velocity to a few meters/sec. Observations are made from ground based heterodyne spectrometers at the Kitt Peak McMath solar telescope and from the NASA infrared Telescope Facility on Mauna Kea, Hawaii. Wind velocities at 110km altitude on Venus were extracted approximately 1 m/sec from measurements of non-thermal emission cores of 10.3 micron CO2 lines. Results indicate a subsolar to antisolar circulationwith a small zonal retrograde component.

Kostiuk, T.↗