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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

GFiRe—Gauge Field integrator for Reheating

We present a new numerical algorithm and code, GFiRe, for solving the nonlinear evolution of Abelian gauge fields coupled to complex scalar fields in homogeneous and isotropic spacetimes. We adopt a hybrid approach to solving the system: the spatial derivatives are discretized using standard Lattice Gauge Field Theory techniques, whereas the time evolution of the fields and scale factor is implemented with explicit, composite, symplectic integrators. An important property of our compound algorithm is that the discretized Gauss constraint is respected exactly, regardless of the order of the symplectic integrator. This remains true even when the background expansion is computed “self-consistently”; that is, when the expansion history is computed using spatial averaged components of the energy momentum tensor in the simulation volume. Hence, our code can also be used in cases where the fields dominate the energy density of the universe, for example, during reheating after inflation. We test the algorithm in scenarios of reheating where the inflaton is a complex scalar field with a potential ∝(2|Φ| 2 - v 2 ) 2 and is coupled to an Abelian gauge field. Tracing the evolution of the system through complex dynamics (including resonant excitation of fields, backreaction, formation of solitons, and changes in the equation of state) in a self-consistently expanding universe, we find the energy conservation violation (<10 -4 ) to be very stable and the Gauss constraint violation (<10 -6 ) to be dominated by differencing noise.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Quantum computing and preconditioners for hydrological linear systems

Modeling hydrological fracture networks is a hallmark challenge in computational earth sciences. Accurately predicting critical features of fracture systems, e.g. percolation, can require solving large linear systems far beyond current or future high performance capabilities. Quantum computers can theoretically bypass the memory and speed constraints faced by classical approaches, however several technical issues must first be addressed. Chief amongst these difficulties is that such systems are often ill-conditioned, i.e. small changes in the system can produce large changes in the solution, which can slow down the performance of linear solving algorithms. We test several existing quantum techniques to improve the condition number, but find they are insufficient. We then introduce the inverse Laplacian preconditioner, which improves the scaling of the condition number of the system from O(N) to O($\sqrt{N}$) and admits a quantum implementation. These results are a critical first step in developing a quantum solver for fracture systems, both advancing the state of hydrological modeling and providing a novel real-world application for quantum linear systems algorithms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Enhanced Surgical Decision-Making Tools in Breast Cancer: Predicting 2-Year Postoperative Physical, Sexual, and Psychosocial Well-Being following Mastectomy and Breast Reconstruction (INSPiRED 004)

Background: We sought to predict clinically meaningful changes in physical, sexual, and psychosocial well-being for women undergoing cancer-related mastectomy and breast reconstruction 2 years after surgery using machine learning (ML) algorithms trained on clinical and patient-reported outcomes data. Patients and Methods: We used data from women undergoing mastectomy and reconstruction at 11 study sites in North America to develop three distinct ML models. We used data of ten sites to predict clinically meaningful improvement or worsening by comparing pre-surgical scores with 2 year follow-up data measured by validated Breast-Q domains. We employed ten-fold cross-validation to train and test the algorithms, and then externally validated them using the 11th site’s data. We considered area-under-the-receiver-operating-characteristics-curve (AUC) as the primary metric to evaluate performance. Results: Overall, between 1454 and 1538 patients completed 2 year follow-up with data for physical, sexual, and psychosocial well-being. In the hold-out validation set, our ML algorithms were able to predict clinically significant changes in physical well-being (chest and upper body) (worsened: AUC range 0.69–0.70; improved: AUC range 0.81–0.82), sexual well-being (worsened: AUC range 0.76–0.77; improved: AUC range 0.74–0.76), and psychosocial well-being (worsened: AUC range 0.64–0.66; improved: AUC range 0.66–0.66). Baseline patient-reported outcome (PRO) variables showed the largest influence on model predictions. Conclusions: Machine learning can predict long-term individual PROs of patients undergoing postmastectomy breast reconstruction with acceptable accuracy. This may better help patients and clinicians make informed decisions regarding expected long-term effect of treatment, facilitate patient-centered care, and ultimately improve postoperative health-related quality of life.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Integrating Quantum Computing with High-Performance Computing: A Streamlined Approach

In recent years, quantum computing has demon-strated the potential to revolutionize specific algorithms and applications by solving problems exponentially faster than classical computers. However, its widespread adoption for general computing remains a future prospect. This paper discusses the integration of quantum computing within High-Performance Computing (HPC) environments, focusing on a resource management framework designed to streamline quantum simulators' use and enhance runtime performance and efficiency. The proposed framework facilitates hybrid applications' transition from simulation backends to real quantum hardware, optimizing resource utilization and providing a flexible infrastructure for developing and testing quantum algorithms.

Shehata, Amir↗
NASA NTRS2022

Performance Analysis of Terrain Relative Navigation Using Blue Origin New Shepard Suborbital Flight Telemetry

As part of a NASA Tipping Point Partnership with Blue Origin to mature precision lunar landing technologies, two test flights of the Blue Origin New Shepard vehicle carrying a NASA-developed sensor suite were conducted on 10/13/2020 and 08/26/2021 at the West Texas Launch Site (LS-1). Part of the acquired datasets, comprising data from an inertial measurement unit and a downward facing camera, was postprocessed through a JPL-developed prototype Visual Odometry and Map Relative Localization software (TRNVOSIM), and compared against ground truth acquired by the host vehicle navigation system. In this paper, we provide a description of the algorithms, the test setup, and the processed results.

Pedrotty, Samuel M.↗
NASA NTRS1983

On a satellite scatterometer as an anemometer

The Seasat-A satellite scatterometer (SASS) wind-algorithm was tested against surface wind fields. Three classes of surface wind fields were used; point measurements, an isotach field over an intensively measured triangle with 200 km sides, and synoptic scale winds determined from pressure and temperature fields and a planetary boundary layer model. These comparisons can verify optimal capabilities of SASS at accuracies of + or - 2 m/s and + or - 20 deg. SASS ability to locate fronts accurately is also established. Complications in nonsteady, highly variable fields indicate problems exist in unqualified application of the SASS algorithm to all conditions.

Brown, R. A.↗
NASA NTRS2000

Infrared Submillimeter and Radio Astronomy Research and Analysis Program

This program entitled "Infrared Submillimeter and Radio Astronomy Research and Analysis Program" with NASA-Ames Research Center (ARC) was proposed by the Smithsonian Astrophysical Observatory (SAO) to cover three years. Due to funding constraints only the first year installment of $18,436 was funded, but this funding was spread out over two years to try to maximize the benefit to the program. During the tenure of this contact, the investigators at the SAO, Drs. Wesley A. Traub and Nathaniel P. Carleton, worked with the investigators at ARC, Drs. Jesse Bregman and Fred Wittebom, on the following three main areas: 1. Rapid scanning SAO and ARC collaborated on purchasing and constructing a Rapid Scan Platform for the delay arm of the Infrared-Optical Telescope Array (IOTA) interferometer on Mt. Hopkins, Arizona. The Rapid Scan Platform was tested and improved by the addition of stiffening plates which eliminated a very small but noticeable bending of the metal platform at the micro-meter level. 2. Star tracking Bregman and Wittebom conducted a study of the IOTA CCD-based star tracker system, by constructing a device to simulate star motion having a specified frequency and amplitude of motion, and by examining the response of the tracker to this simulated star input. 3. Fringe tracking. ARC, and in particular Dr. Robert Mah, developed a fringe-packet tracking algorithm, based on data that Bregman and Witteborn obtained on IOTA. The algorithm was tested in the laboratory at ARC, and found to work well for both strong and weak fringes.

Traub, Wesley A.↗
DOE OSTI2018

Fracture Diagnostics Using Low Frequency Electromagnetic Induction and Electrically Conductive Proppants

The monitoring and diagnostics of induced fractures are important for the real-time performance evaluation of hydraulic fracturing operations. Previous electromagnetic (EM) based studies show that single backbone tri-axial induction logging tools are promising candidates for real-time monitoring and diagnosis of fractures in open-hole wells. To support the development of field deployable tools, the concept must be tested in experiments, in a controllable environment, before it is tested under field-like conditions. To this end, we have developed numerical tools which can simulate any wellbore environment while logging hydraulic fractures with the induction tool. We have designed and built a prototype induction tool and performed two sets of tests to compare with numerical simulation results. The computational and experimental setup consists of tri-axial transmitter- and receiver-coils in co-axial, co-planar and cross-polarized configurations. Both lab and shallow earth measurements are shown to be in good agreement with simulations for all examined cases. The average relative and maximum discrepancies of the measured signals from the simulated ones were lower than 3% and 10%, respectively. With the prototype tool, strong signals sensitive to the fracture’s surface area and dip-angle were measured in co-axial coil configuration, while weaker signals sensitive to the fracture’s aspect ratio were observed in the co-planar configuration. Cross-polarized signals are also shown to be strong and sensitive to the fracture’s dip. Lastly, we resolved the detectable components of the signal tensor to obtain parameters of simplified fracture geometries. The inversion algorithm, a derivative free directional search model, uses an objective function defined as a combination of co-axial and cross-polarized signals from different tool spacings to provide a well behaved global minimum. The robustness of inversion algorithm is tested on synthetic data for single cluster fractures in homogeneous and heterogeneous background electrical conductivity. All the effective model parameters for different cases, fracture conductivity (width), propped area (length) and dip-angle, are shown to be recovered with sufficient accuracy. We also evaluated the effect of multiple neighboring fractures and suggested a multi-cluster inversion algorithm that can accurately recover the proppant distribution in each fracture. Based on these results we provide a downhole tool design, with detailed specifications, that can effectively recover far-field proppant distribution in hydraulic fractures.

02 PETROLEUM↗
DOE OSTI2023

Machine learning assisted phase and size-controlled synthesis of iron oxide particles

Synthesis of iron oxides with specific phases and particle sizes is a crucial challenge in various fields, including materials science, energy storage, biomedical applications, environmental science, and earth science. However, despite significant advances in this area, much of the current palette of particle outcomes has been based on time-consuming trial-and-error exploration of synthesis conditions. The present study was designed to explore a very different approach to 1) predict the outcome of synthesis from specified reaction parameters based on using machine learning (ML) techniques, and 2) correlate sets of parameters to obtain products with desired outcomes by a newly designed recommendation algorithm. To achieve this, four ML algorithms were tested, namely random forest, logistic regression, support vector machine, and k-nearest neighbor. Among the models, random forest outperformed the others, attaining 96% and 81% accuracy when predicting the phase and size of iron oxide particles in the test dataset. Surprisingly, the permutation feature importance analysis revealed that volume, which may strongly relate to pressure, was one of the important features, along with precursor concentration, pH, temperature, and time, influencing the phase and size of iron oxide particles during synthesis. To verify the robustness of the random forest models, prediction and experimental results were compared based on 24 randomly generated methods in additive and non-additive systems not included in the datasets. The predictions of product phase and particle size from the models agreed well with the experimental results. Furthermore, a searching and ranking algorithm was developed to recommend potential synthesis parameters for obtaining iron oxide products with the desired phase and particle size from previous studies in the dataset. Furthermore, this study lays the foundation for a closed-loop approach in materials synthesis and preparation, beginning with suggesting potential reaction parameters from the dataset and predicting potential outcomes, followed by conducting experiments and analyses, and ultimately enriching the dataset.

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

A Geometric Measure Theory Approach to Identify Complex Structural Features on Soft Matter Surfaces

The structural features that protrude above or below a soft matter interface are well-known to be related to interfacially mediated chemical reactivity and transport processes. It is a challenge to develop a robust algorithm for identifying these organized surface structures, as the morphology can be highly varied and they may exist on top of an interface containing significant interfacial roughness. A new algorithm that employs concepts from geometric measure theory, algebraic topology, and optimization is developed to identify candidate structures at a soft matter surface, and then, using a probabilistic approach, to rank their likelihood of being a complex structural feature. The algorithm is tested for a surfactant laden water/oil interface, where it is robust to identifying protrusions responsible for water transport against a set identified by visual inspection. To our knowledge, this is the first example of applying geometric measure theory to analyze the properties of a chemical/materials science system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2019

Overview of the New Version 3 NASA Micro-Pulse Lidar Network (MPLNET) Automatic Precipitation Detection Algorithm

Precipitation modifies atmospheric column thermodynamics through the process of evaporation and serves as a proxy for latent heat modulation. For this reason, a correct precipitation parameterization (especially for low-intensity precipitation) within global scale models is crucial. In addition to improving our modeling of the hydrological cycle, this will reduce the associated uncertainty of global climate models in correctly forecasting future scenarios, and will enable the application of mitigation strategies. In this manuscript we present a proof of concept algorithm to automatically detect precipitation from lidar measurements obtained from the National Aeronautics and Space Administration Micropulse lidar network (MPLNET). The algorithm, once tested and validated against other remote sensing instruments, will be operationally implemented into the network to deliver a near real time (latency <1.5 h) rain masking variable that will be publicly available on MPLNET website as part of the new Version 3 data products. The methodology, based on an image processing technique, detects only light precipitation events (defined by intensity and duration) such as light rain, drizzle, and virga. During heavy rain events, the lidar signal is completely extinguished after a few meters in the precipitation or it is unusable because of water accumulated on the receiver optics. Results from the algorithm, in addition to filling a gap in light rain, drizzle, and virga detection by radars, are of particular interest for the scientific community as they help to fully characterize the aerosol cycle, from emission to deposition, as precipitation is a crucial meteorological phenomenon accelerating atmospheric aerosol removal through the scavenging effect. Algorithm results will also help the understanding of long term aerosol–cloud interactions, exploiting the multi-year database from several MPLNET permanent observational sites across the globe. The algorithm is also applicable to other lidar and/or ceilometer network infrastructures in the framework of the Global Aerosol Watch (GAW) aerosol lidar observation network (GALION).

Simone Lolli↗
DOE OSTI2024

Sensitivity of modelled passive margin stratigraphy to variations in sea level, sediment supply and subsidence

Abstract We produced a 10 Myr synthetic stratigraphic section using a forward stratigraphic model that generates marine deltaic stratigraphy over geological timescales. We recursively fit the model using a Bayesian inversion algorithm to test: (1) if it could be accurately reconstructed; (2) if the parameters used to create it could be recovered; and (3) the sensitivity of the model output to given model parameters and the attendant physical processes. The original synthetic stratigraphic section was produced with cyclical sea‐level variations of 40 and 30 m with 2.4 and 10 Myr periods respectively. Sediment was also supplied cyclically, in 2.4 and 10 Myr cycles with amplitudes of 30 and 80 tons/100 kyr, respectively, varying from a mean of 232 tons/100 kyr. Parameter values were sampled to fit the model using a Markov chain Monte Carlo algorithm, resulting in a ±5 m (1σ) variation between the experimental output and the original. Sea level varied by ±7 m (1σ) within the posterior distribution of parameters. As a result, both the 10 Myr and 2.4 Myr sea‐level cycles could be extracted from the original output. The variation in sediment supply was approximately ±38 tons/100 kyr (1σ) and, as a result, only the larger long‐term supply variations could be accurately recovered in refitting the model. The variation in thermal, flexural and total subsidence across those parameter sets is less than ±10 m (1σ). The original section experienced 150 m of total subsidence at the depocentre. Our results demonstrate the distinct and interpretable imprint of sea level and subsidence on continental margin stratigraphy can be quantified. Moreover, we conclude that sea‐level change produces a defined effect on the geometries of stratigraphic architecture, and that techniques applied for the purpose of delineating sea‐level variation from continental margin strata have a well‐founded conceptual basis.

Schmelz, William J.↗
NASA NTRS2010

Analyzing Non Stationary Processes in Radiometers

The lack of well-developed techniques for modeling changing statistical moments in our observations has stymied the application of stochastic process theory for many scientific and engineering applications. Non linear effects of the observation methodology is one of the most perplexing aspects to modeling non stationary processes. This perplexing problem was encountered when modeling the effect of non stationary receiver fluctuations on the performance of radiometer calibration architectures. Existing modeling approaches were found not applicable; particularly problematic is modeling processes across scales over which they begin to exhibit non stationary behavior within the time interval of the calibration algorithm. Alternatively, the radiometer output is modeled as samples from a sequence random variables; the random variables are treated using a conditional probability distribution function conditioned on the use of the variable in the calibration algorithm. This approach of treating a process as a sequence of random variables with non stationary stochastic moments produce sensible predictions of temporal effects of calibration algorithms. To test these model predictions, an experiment using the Millimeter wave Imaging Radiometer (MIR) was conducted. The MIR with its two black body calibration references was configured in a laboratory setting to observe a third ultra-stable reference (CryoTarget). The MIR was programmed to sequentially sample each of the three references in approximately a 1 second cycle. Data were collected over a six-hour interval. The sequence of reference measurements form an ensemble sample set comprised of a series of three reference measurements. Two references are required to estimate the receiver response. A third reference is used to estimate the uncertainty in the estimate. Typically, calibration algorithms are designed to suppress the non stationary effects of receiver fluctuations. By treating the data sequence as an ensemble collection, it is possible to apply temporal algorithms which exacerbate the non stationary effects. By varying the algorithm, information about the properties of the non stationary receiver fluctuations is obtained. Comparisons of analytical calculations and statistical analysis of data demonstrate impressive agreement.

Racette, Paul↗
NASA NTRS1992

A passive microwave algorithm for tropical oceanic rainfall

This study discusses a rainfall algorithm utilizing six channels of microwave radiance data from the Nimbus-7 Scanning Multifrequency Microwave Radiometer. The algorithm is intended for short-term climate studies over the ocean at low latitudes. To find a set of functional relationships, rain rates are regressed on brightness temperatures for each channel. Next, these functions are integrated over a class of rain-rate distributions to find relations between mean brightness temperatures and mean rain rates. This step accounts for beam filling. Finally, weights are obtained for combining the rain rates from the individual channels. The weights vary with the rain rates, so that the optimum combination of channels is always used. Results are stored in a database grid 1 deg latitude x 1 deg longitude by one month. To test the algorithm, three years (1979-81) of data from the Indian Ocean are processed.

Hinton, Barry B.↗
DOE OSTI2023

Overlapping Domain Coupling of Multidimensional and System Codes in NEAMS - Pronghorn and SAM

This report describes the implementation and testing of domain-overlapping coupling of the Pronghorn and SAM codes. Both Pronghorn and SAM are codes developed by the DOE Nuclear Energy Advanced Modeling and Simulation (NEAMS) program for analysis of advanced nuclear reactors. Pronghorn focuses on analyzing multi-dimensional core flow conditions, while SAM focuses on analysis of the entire system including, among other components, piping, pumps, and heat exchangers. It is desirable for many advanced reactor thermal-hydraulics simulations to couple Pronghorn and SAM to obtain self-consistent solutions in the core and the system. The domain-overlapping coupling approach provides a robust and numerically efficient candidate for this coupling. We describe the algorithm for obtaining self-consistent solutions between a SAM network of flow channels and an overlapped multi-dimensional Pronghorn domain. The algorithm is tested for a variety of simple canonical test problems and a model of the Molten Salt Reactor Experiment (MSRE). Results demonstrate that the domain overlapping coupling approach provides consistent pressure, mass flow rate, enthalpy, and passive scalar distributions between Pronghorn and SAM and converges reliably and efficiently (at most 15 iterations, usually much less than 10) for the considered test problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Active Learning Accelerated Discovery of Stable Iridium Oxide Polymorphs for the Oxygen Evolution Reaction

The discovery of high-performing and stable materials for sustainable energy applications is a pressing goal in catalysis and materials science. Understanding the relationship between a material’s structure and functionality is an important step in the process, such that viable polymorphs for a given chemical composition need to be identified. Machine-learning-based surrogate models have the potential to accelerate the search for polymorphs that target specific applications. Herein, we report a readily generalizable active-learning (AL) accelerated algorithm for identification of electrochemically stable iridium oxide polymorphs of IrO 2 and IrO 3 . The search is coupled to a subsequent analysis of the electrochemical stability of the discovered structures for the acidic oxygen evolution reaction (OER). Structural candidates are generated by identifying all 956 structurally unique AB2 and AB3 prototypes in existing materials databases (more than 38000). Next, using an active learning approach, we find 196 IrO 2 polymorphs within the thermodynamic amorphous synthesizability limit and reaffirm the global stability of the rutile structure. We find 75 synthesizable IrO 3 polymorphs and report a previously unknown FeF 3 -type structure as the most stable, termed α-IrO 3 . To test the algorithms performance, we compare to a random search of the candidate space and report at least a 2-fold increase in the rate of discovery. Additionally, the AL approach can acquire the most stable polymorphs of IrO 2 and IrO 3 with fewer than 30 density functional theory optimizations. Analysis of the structural properties of the discovered polymorphs reveals that octahedral local coordination environments are preferred for nearly all low-energy structures. Subsequent Pourbaix Ir–H 2 O analysis shows that α-IrO3 is the globally stable solid phase under acidic OER conditions and supersedes the stability of rutile IrO 2 . Calculation of theoretical OER surface activities reveal ideal weaker binding of the OER intermediates on α-IrO 3 than on any other considered iridium oxide. We emphasize that the proposed AL algorithm can be easily generalized to search for any binary metal oxide structure with a defined stoichiometry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

ARMing the Edge: Designing Edge Computing–Capable Machine Learning Algorithms to Target ARM Doppler Lidar Processing

Abstract There is a need for long-term observations of cloud and precipitation fall speeds in validating and improving rainfall forecasts from climate models. To this end, the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility Southern Great Plains (SGP) site at Lamont, Oklahoma, hosts five ARM Doppler lidars that can measure cloud and aerosol properties. In particular, the ARM Doppler lidars record Doppler spectra that contain information about the fall speeds of cloud and precipitation particles. However, due to bandwidth and storage constraints, the Doppler spectra are not routinely stored. This calls for the automation of cloud and rain detection in ARM Doppler lidar data so that the spectral data in clouds can be selectively saved and further analyzed. During the ARMing the Edge field experiment, a Waggle node capable of performing machine learning applications in situ was deployed at the ARM SGP site for this purpose. In this paper, we develop and test four algorithms for the Waggle node to automatically classify ARM Doppler lidar data. We demonstrate that supervised learning using a ResNet50-based classifier will classify 97.6% of the clear-air images and 94.7% of cloudy images correctly, outperforming traditional peak detection methods. We also show that a convolutional autoencoder paired with k -means clustering identifies 10 clusters in the ARM Doppler lidar data. Three clusters correspond to mostly clear conditions with scattered high clouds, and seven others correspond to cloudy conditions with varying cloud-base heights.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1982

Merging LANDSAT Derived Land Covers into Quad-referenced Geographic Information Systems

An approach for merging multiscene LANDSAT data bases into existing geographic information systems having 5-second or smaller cells is described. The approach uses the output from the State of Maryland's UNIVAC 1180-based LANDSAT classification program ASTEP (Algorithm Simulation Test and Evaluation) developed by NASA. The structure of the technique was designed to address the problems that emerged as part of the LANDSAT classification of the 64,000 square mile Chesapeake water shed involving twelve scenes. The removal of overlap among adjacent scenes, the crossreferencing of ground control points, and the isolation of the appropriate pixels from the LANDSAT data base for subsequent positioning into a file containing ancillary data referenced to a specific USGS 7 1/2 minute quadrangle sheet are described. Examples illustrate the clustering of classified LANDSAT pixels to define the dominant land use for each of 8,100 cells within a series of quadrangle sheets distributed over the State of Maryland. The approach uses a hard copy terminal tied to an ASTEP algorithm through telephone lines. A coordinate digitizing board for inputing the position of ground control points is also valuable, although manual measurements are possible. The approach is quite efficient and should be especially attractive for use on regional scale studies.

White, J. M.↗