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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 613 records · Page 34

Randomized Algorithms for Symmetric Nonnegative Matrix Factorization

Symmetric Nonnegative Matrix Factorization (SymNMF) is a technique in data analysis and machine learning that approximates a matrix with a product of a nonnegative, low-rank matrix and it transpose. To design faster and more scalable algorithms for SymNMF we develop two randomized algorithms for its computation. The first method uses randomized matrix sketching to compute an initial low-rank approximation to the input matrix and proceeds to uses this as a low-rank input to rapidly compute a SymNMF. The second methods uses randomized leverage score sampling to approximately solve constrained least squares problems. Many successful methods for SymNMF rely on (approximately) solving sequences of constrained least squares problems. Here, we prove theoretically that leverage score sampling can approximately solve constrained least squares problems to e-accuracy. Finally we demonstrate both methods work in practice by applying them to graph clustering tasks on large real world data sets. These experiments show that our methods approximately maintain solution quality and achieve significant speed ups for both large dense and large sparse problems.

97 MATHEMATICS AND COMPUTING↗

Three-Photon Optical Pumping for Trapped Ion Quantum Computing

In this report we describe the testing of a novel scheme for state preparation of trapped ions in a quantum computing setup. This technique optimally would allow for similar precision and speed of state preparation while allowing for individual addressability of single ions in a chain using technology already available in a trapped ion experiment. As quantum computing experiments become more complicated, mid-experiment measurements will become necessary to achieve algorithms such as quantum error correction. Any mid-experiment measurement then requires the measured qubit to be re-prepared to a known quantum state. Currently this involves the protected qubits to be moved a sizeable distance away from the qubit being re-prepared which can be costly in terms of experiment length as well as introducing errors. Theoretical calculations predict that a three-photon process would allow for state preparation without qubit movement with similar efficiencies to current state preparation methods.

97 MATHEMATICS AND COMPUTING↗

Aeroservoelastic modeling and applications using minimum-state approximations of the unsteady aerodynamics

The theoretical basis of flexible-aircraft modeling techniques encompassing aerodynamic, control, and elastic-structure effects is investigated analytically, with a focus on methods which employ minimum-state approximations for the unsteady aerodynamics. Rational-function approximations to generalized aerodynamic forces are reviewed; constraints and lag-coefficient optimization are explained; the problem of physical weighting in the minimum-state equations of motion is examined; and results of typical analyses from the NASA Active Flexible Wing project (Perry et al., 1988) are presented in extensive tables and graphs and discussed in detail. The minimum-state approach is shown to produce accurate models at significantly reduced computation costs.

Tiffany, Sherwood H.↗

Remote sensing of chlorophyll in an atmosphere-ocean environment - A theoretical study

A Monte Carlo program was written to compute the effect of chlorophyll on the ratio of upwelling to downwelling radiance and irradiance as a function of wavelength, height above the ocean, and depth within the ocean. This program simulates the actual physical situation, since a real atmospheric model was used, i.e., one that contained both aerosol and Rayleigh scattering as well as ozone absorption. The complete interaction of the radiation field with the ocean was also taken into account. The chlorophyll was assumed to be uniformly mixed in the ocean and was also assumed to act only as an absorbing agent. For the ocean model both scattering and absorption by hydrosols was included. Results have been obtained for both a very clear ocean and a medium turbid ocean. Recommendations are made for optimum techniques for remotely sensing chlorophyll both in situ and in vitro.

Kattawar, G. W.↗

On the clustering of multidimensional pictorial data

Obvious approaches to reducing the cost (in computer resources) of applying current clustering techniques to the problem of remote sensing are discussed. The use of spatial information in finding fields and in classifying mixture pixels is examined, and the AMOEBA clustering program is described. Internally, a pattern recognition program, from without, AMOEBA appears to be an unsupervised clustering program. It is fast and automatic. No choices (such as arbitrary thresholds to set split/combine sequences) need be made. The problem of finding the number of clusters is solved automatically. At the conclusion of the program, all points in the scene are classified; however, a provision is included for a reject classification of some points which, within the theoretical framework, cannot rationally be assigned to any cluster.

Bryant, J. D.↗

Digital simulation of dynamic processes in radiometer systems

The development and application of several computer programs for simulating different classes of microwave radiometers are described. The programs are dynamic in nature, and they may be used to determine the instantaneous behavior of system variables as a function of time. Some of the programs employ random variable models in the simulations so that the statistical nature of the results may be investigated. The programs have been developed to utilize either the Continuous System Modeling Program or the Advanced Continuous System Language. The validity of most of the programs was investigated using statistical tests, and the results show excellent correlation with theoretical predictions. The programs are currently being used in the investigation of new design techniques for microwave radiometers.

Stanley, W. D.↗

Measurement of Phased Array Point Spread Functions for Use with Beamforming

Microphone arrays can be used to localize and estimate the strengths of acoustic sources present in a region of interest. However, the array measurement of a region, or beam map, is not an accurate representation of the acoustic field in that region. The true acoustic field is convolved with the array s sampling response, or point spread function (PSF). Many techniques exist to remove the PSF's effect on the beam map via deconvolution. Currently these methods use a theoretical estimate of the array point spread function and perhaps account for installation offsets via determination of the microphone locations. This methodology fails to account for any reflections or scattering in the measurement setup and still requires both microphone magnitude and phase calibration, as well as a separate shear layer correction in an open-jet facility. The research presented seeks to investigate direct measurement of the array's PSF using a non-intrusive acoustic point source generated by a pulsed laser system. Experimental PSFs of the array are computed for different conditions to evaluate features such as shift-invariance, shear layers and model presence. Results show that experimental measurements trend with theory with regard to source offset. The source shows expected behavior due to shear layer refraction when observed in a flow, and application of a measured PSF to NACA 0012 aeroacoustic trailing-edge noise data shows a promising alternative to a classic shear layer correction method.

Bahr, Chris↗

Penalized ensemble Kalman filters for high dimensional non-linear systems

The ensemble Kalman filter (EnKF) is a data assimilation technique that uses an ensemble of models, updated with data, to track the time evolution of a usually non-linear system. It does so by using an empirical approximation to the well-known Kalman filter. However, its performance can suffer when the ensemble size is smaller than the state space, as is often necessary for computationally burdensome models. This scenario means that the empirical estimate of the state covariance is not full rank and possibly quite noisy. To solve this problem in this high dimensional regime, we propose a computationally fast and easy to implement algorithm called the penalized ensemble Kalman filter (PEnKF). Under certain conditions, it can be theoretically proven that the PEnKF will be accurate (the estimation error will converge to zero) despite having fewer ensemble members than state dimensions. Further, as contrasted to localization methods, the proposed approach learns the covariance structure associated with the dynamical system. These theoretical results are supported with simulations of several non-linear and high dimensional systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The Schwarz Alternating Method for the Seamless Coupling of Nonlinear Reduced Order Models and Full Order Models

Projection-based model order reduction allows for the parsimonious representation of full order models (FOMs), typically obtained through the discretization of a set of partial differential equations (PDEs) using conventional techniques (e.g., finite element, finite volume, finite difference methods) where the discretization may contain a very large number of degrees of freedom. As a result of this more compact representation, the resulting projection-based reduced order models (ROMs) can achieve considerable computational speedups, which are especially useful in real-time or multi-query analyses. One known deficiency of projection-based ROMs is that they can suffer from a lack of robustness, stability and accuracy, especially in the predictive regime, which ultimately limits their useful application. Another research gap that has prevented the widespread adoption of ROMs within the modeling and simulation community is the lack of theoretical and algorithmic foundations necessary for the “plug-and-play” integration of these models into existing multi-scale and multi-physics frameworks. This paper describes a new methodology that has the potential to address both of the aforementioned deficiencies by coupling projection-based ROMs with each other as well as with conventional FOMs by means of the Schwarz alternating method [41]. Leveraging recent work that adapted the Schwarz alternating method to enable consistent and concurrent multiscale coupling of finite element FOMs in solid mechanics [35, 36], we present a new extension of the Schwarz framework that enables FOM-ROM and ROM-ROM coupling, following a domain decomposition of the physical geometry on which a PDE is posed. In order to maintain efficiency and achieve computation speed-ups, we employ hyper-reduction via the Energy-Conserving Sampling and Weighting (ECSW) approach [13]. We evaluate the proposed coupling approach in the reproductive as well as in the predictive regime on a canonical test case that involves the dynamic propagation of a traveling wave in a nonlinear hyper-elastic material.

97 MATHEMATICS AND COMPUTING↗

Comparison of predicted and measured elastohydrodynamic film thickness in a 20-millimeter-bore ball bearing

Elastohydrodynamic film thicknesses were measured for a 20-mm bore ball bearing using the capacitance technique. The bearing was thrust loaded to 90, 445, and 778 N (20, 100, and 175 lb). The corresponding maximum contact stress on the inner race was 1.28, 2.09, and 2.45 GPa (185 000, 303,000, and 356, 000 psi). Test speeds ranged from 400 to 15,000 rpm. Measurements were taken with four different lubricants: (1) synthetic paraffinic; (2) synthetic paraffinic with additives; (3) synthetic type II aircraft oil; and (4) synthetic cycloaliphatic hydrocarbon traction fluid. The test bearing was mist lubricated. Test temperatures were 27, 65, and 121 C (80, 150, and 250 F). The measured results for the various test parameters were compared to theoretical predictions from computer programs. Also the data were plotted on dimensionless coordinates and compared to several classical isothermal theories.

Coy, J. J.↗

A Photographic Study of Freezing of Water Droplets Falling Freely in Air

A photographic technique for investigating water droplets of diameter less than 200 microns falling freely in air at temperatures between 0 C and -50 C has been devised and used to determine: (i) The shape of frozen droplets (2) The occurrence of collisions of partly frozen or of frozen and liquid droplets (3) The statistics on the freezing temperatures of individual free-falling droplets A considerable number of droplets were found to have a nonspherical shape after freezing because of various protuberances and frost growth, and droplet aggregates formed by collision. The observed frequency of collision of partly frozen droplets showed good order of magnitude agreement with the frequency computed from theoretical collection efficiencies. The freezing temperature statistics indicated a general similarity of the data to those obtained for droplets frozen on a metallic surface in previous experiments.

Dorsch, Robert G.↗

Beam Heating of Samples: Modeling and Verification

Energy absorbed from the X-ray beam by the sample requires cooling by forced convection (i.e. cryostream) to minimize temperature increase and the damage caused to the sample by the X-ray heating. In this presentation we will first review the current theoretical models and recent studies in the literature, which predict the sample temperature rise for a given set of beam parameters. It should be noted that a common weakness of these previous studies is that none of them provide actual experimental confirmation. This situation is now remedied in our investigation where the problem of x-ray sample heating is taken up once more. We have theoretically investigated, and at the same time, in addition to the numerical computations, performed experiments to validate the predictions. We have modeled, analyzed and experimentally tested the temperature rise of a 1 mm diameter glass sphere (sample surrogate) exposed to an intense synchrotron X-ray beam, while it is being cooled in a uniform flow of nitrogen gas. The heat transfer, including external convection and internal heat conduction was theoretically modeled using CFD to predict the temperature variation in the sphere during cooling and while it was subjected to an undulator (ID sector 19) X-ray beam at the APS. The surface temperature of the sphere during the X-ray beam heating was measured using the infrared camera measurement technique described in a previous talk. The temperatures from the numerical predictions and experimental measurements are compared and discussed. Additional results are reported for the two different sphere sizes and for two different supporting pin orientations.

Kazmierczak, Michael↗

Reliable and Efficient Machine Learning (Final Technical Report)

Modern scientific experiments generate massive amounts of data at a pace much faster than humans can manually analyze. While machine learning has revolutionized commercial data analysis (such as recommending movies or recognizing faces), applying these tools to complex scientific discovery is challenging because scientific answers must be precise, interpretable, and adhere to physical laws. The research under this project aims to develop new mathematical tools and computer algorithms specifically designed for scientific applications. Major progress has been made in automatically cleaning and deconstructing messy experimental data, analyzing the visual information of physical phenomena, determining the underlying physical variables, and providing rig orous mathematical analysis of interesting algorithms and concepts widely used in machine learning. This project addressed the critical gap between our ability to generate massive scientific data and our ability to extract interpretable information from it. We established mathematical foundations for Scientific Machine Learning (SciML) aimed at effective data analytics and automated discovery. Our work focused on three core objectives: (1) developing reliable feature extraction methods for dynamic high-dimensional data, (2) establishing mathematical foundations for discovering dynamics via neural networks, and (3) creating rigorous optimization techniques for these models. Key outcomes come from two fronts. On the practical side, they include the development of algorithms that significantly enhance the extraction of signals from field data, as well as the capability to handle situations that exhibit smooth variations or physical stretching due to temperature changes. They also include the creation of an automated framework for discovering fundamental state variables from raw experimental data, demonstrating the ability to identify intrinsic physical dimensions without prior knowledge of the governing laws. On the theoretical front, the research results in theoretical advances in Optimal Transport, a widely used notion in SciML, specifically regarding functions with fixed-size nodal sets, provide sharp bounds relevant to uncertainty quantification. Meanwhile, the outcomes also include the establishment of convergence theories for nonlocal gradient descent methods, enabling robust optimization with noisy data in high-dimensional settings commonly encountered in scientific modeling. The project also helps creating opportunities to train the next generation of researchers, equipping them with the necessary technical skills for today’s workplace and preparing them for future advances.

97 MATHEMATICS AND COMPUTING↗

Exploring Nontrivial Topological Superconductivity in 2M-WS2 for Topological Quantum Computation

This project has two main research goals: (1) growing the high-quality two-dimensional (2D) 2M-pahse WS 2 (2M-WS 2 ) single crystals and identifying clear signatures of the unconventional superconductivity in the 2M-WS 2 ; and (2) establishing the layer-dependence of the Majorana zero mode in the 2M-WS 2 down to the monoatomic layer limit. These goals were planned to be achieved by growing high-quality and large-scale 2M-WS 2 single crystals and transferring their thin layers onto different substrates for the proposed measurements. The layer-dependent unconventional superconductivity in 2M-WS 2 were systematically studied by different techniques, including transport measurements (charge, thermal and spin), scanning tunneling microscopy and spectroscopy (STM/S), angle-resolved photoemission spectroscopy (ARPES), and theoretical calculations. The research team is comprised of researchers from University of Wyoming (UW) and three DOE National Laboratories (DOE NLs), including Argonne National Laboratory (ANL), Lawrence Berkeley National Laboratory (LBNL) and Sandia National Laboratories (SNL), with complete and complementary expertise: PI Tian: Handling 2D materials, nanofabrication, nanodevices, and quantum transport; Co-Is: Ackerman and Leonard: van der Waals material crystal growth and handling; Chien: Nanoimaging with STM/S; and Tang: Magnetic measurements and charge and thermal transport; National lab collaborators (NLs): Guisinger (ANL): STM/S and nanoimaging; Mo and Rotenberg (LBNL): ARPES and nano ARPES (nARPES); Lu (SNL): Quantum information science, quantum transport, and nanofabrication; and Baczewski (SNL): Theoretical modeling and calculations.

36 MATERIALS SCIENCE↗

Ptychography at all wavelengths

Ptychography is a computational imaging technique that operates across multiple wavelength regimes, from electron (picometres) to X-ray (~0.1 nm), extreme ultraviolet (~10 nm) and visible light (micrometres). By reconstructing both amplitude and phase from diffraction patterns, ptychography enables high-resolution, quantitative imaging without conventional limitations imposed by lens-based optics. Ptychography has enabled advances across a range of scales: achieving deep-sub-angstrom resolution with electron microscopy, becoming an indispensable tool at X-ray synchrotron facilities worldwide and overcoming the trade-offs between resolution and field-of-view in optical imaging. This Primer provides a unified treatment of ptychography across these wavelength regimes. First, we discuss theoretical foundations, reconstruction algorithms, experimental considerations and wavelength-specific challenges. We then give examples of raw and processed data from various configurations and wavelengths. Next, we highlight key applications of ptychography in life sciences, materials science and industry. We also discuss data standards, open-source software implementations and best practices for ensuring reproducibility across different wavelength regimes. Finally, we consider limitations and future opportunities for ptychography. Together with accompanying datasets and code implementations, this Primer aims to serve newcomers and experienced practitioners in the field, facilitating broader adoption of ptychography across different disciplines.

47 OTHER INSTRUMENTATION↗

Steady, subsonic, lifting surface theory for wings with swept, partial span, trailing edge control surfaces

A method for computing the lifting pressure distribution on a wing with partial span, swept control surfaces is presented. This method is valid within the framework of linearized, steady, potential flow theory and consists of using conventional lifting surface theory in conjuction with a flap pressure mode. The cause of a numerical instability that can occur during the quadrature of the flap pressure mode is discussed, and an efficient technique to eliminate the instability is derived. This technique is valid for both the flap pressure mode and regular pressure modes and could be used to improve existing lifting surface methods. Examples of the use of the flap pressure mode and comparisons among this method, other theoretical methods, and experiments are given. Discrepancies with experiment are indicated and candidate causes are presented. It is concluded that the method can lead to an efficient and accurate solution of the mathematical problem when a partial span, trailing edge flap is involved.

Medan, R. T.↗

Real-time insight into the multistage mechanism of nanoparticle exsolution from a perovskite host surface

In exsolution, nanoparticles form by emerging from oxide hosts by application of redox driving forces, leading to transformative advances in stability, activity, and efficiency over deposition techniques, and resulting in a wide range of new opportunities for catalytic, energy and net-zero-related technologies. However, the mechanism of exsolved nanoparticle nucleation and perovskite structural evolution, has, to date, remained unclear. Herein, we shed light on this elusive process by following in real time Ir nanoparticle emergence from a SrTiO 3 host oxide lattice, using in situ high-resolution electron microscopy in combination with computational simulations and machine learning analytics. We show that nucleation occurs via atom clustering, in tandem with host evolution, revealing the participation of surface defects and host lattice restructuring in trapping Ir atoms to initiate nanoparticle formation and growth. These insights provide a theoretical platform and practical recommendations to further the development of highly functional and broadly applicable exsolvable materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A cryogenic near-field thermal diode leveraging superconducting phase transitions

Control of charge and heat transport is essential for computing and thermal management technologies. Recent work with superconducting materials has shown rectified electrical supercurrents near liquid helium temperatures. However, despite large theoretical interest and expected impact on quantum technologies, no experiments have demonstrated control of nanoscale radiative heat currents at cryogenic temperatures. Here we study photon-mediated thermal transport in nanogaps between niobium and gold. Using novel scanning calorimetric probes and nanofabricated devices, we reveal a ~20-fold suppression of radiative heat transport, when niobium transitions from the metallic to the superconducting state. Taking advantage of this effect, we also demonstrate a niobium-based cryogenic thermal diode with a heat rectification ratio of 70%. As a result, the experimental techniques and advances presented here will enable studying nanoscale thermal transport in quantum materials and advancing thermal management of superconducting devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗