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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
NASA NTRS1993

Statistical results from the Virginia Tech propagation experiment using the Olympus 12, 20, and 30 GHz satellite beacons

Virginia Tech has performed a comprehensive propagation experiment using the Olympus satellite beacons at 12.5, 19.77, and 29.66 GHz (which we refer to as 12, 20, and 30 GHz). Four receive terminals were designed and constructed, one terminal at each frequency plus a portable one with 20 and 30 GHz receivers for microscale and scintillation studies. Total power radiometers were included in each terminal in order to set the clear air reference level for each beacon and also to predict path attenuation. More details on the equipment and the experiment design are found elsewhere. Statistical results for one year of data collection were analyzed. In addition, the following studies were performed: a microdiversity experiment in which two closely spaced 20 GHz receivers were used; a comparison of total power and Dicke switched radiometer measurements, frequency scaling of scintillations, and adaptive power control algorithm development. Statistical results are reported.

Stutzman, Warren L.↗
DOE OSTI2019

Preface to the Focus Section on Machine Learning in Seismology

Machine learning (ML) is a collection of algorithms and statistical models that enable computers to extract relevant patterns and information from large data sets. Unlike physical modeling approaches, in which scientists develop theories based on physical laws to compare with real–world observations, ML approaches learn directly from data without explicitly reasoning about the underlying physical mechanisms. ML algorithms are often categorized into supervised and unsupervised learning (see fig. 2 in Kong et al., 2018). Supervised learning algorithms build a model from existing labeled input data with the goal of predicting the labels of new data.

58 GEOSCIENCES↗
DOE OSTI2020

Hybrid geological modeling: Combining machine learning and multiple-point statistics

Accurately modeling and constructing a geologically realistic subsurface model remains an outstanding problem as the morphology controls the flow behaviors. Particularly, one of the pattern-based methods, namely cross-correlation based simulation, has been proved to be an effective way to reconstruct a realistic model, at both small and large scales. However, conditioning to point data in the large-scale problems is still a crucial issue in these algorithms, since there is always a trade-off between the quality of the realizations and the degree of point data reproduction. Specifically, it is not practical to build a training image (TI) which includes all the possibilities and variabilities. Therefore, finding a pattern that can represent the point data and, at the same time, preserving the connectivities is difficult. This leads to producing highly-connected realizations with a significant mismatch or poor models with a reasonable degree of point data reproduction. To accurately reproduce the densely distributed hard data, pixel-based methods can also produce some unrealistic artifacts around the hard data. In this paper, to overcome this challenge, however, we use pattern-based methods as they often produce more disconnected geobodies when dealing with dense hard data, and proposed a hybrid algorithm using the pattern-based methods and convolutional neural network (CNN). The trained CNN model is utilized to improve the quality of conditioning to point data for the original realizations generated by the pattern-based algorithm. As such, the mismatch locations are identified, and the same regions are used in the training of CNN to mimic the procedure through which a missing region can be filled. To evaluate the performance of the proposed hybrid algorithm, it is tested on cases with different dimensions and different numbers of facies. Then, the newly improved realizations are compared with the initial realizations generated by the pattern-based algorithm. The comparison is also conducted by the flow simulation test. And it indicates that the proposed hybrid algorithm can better reproduce the point data, while the connectivities are better preserved.

58 GEOSCIENCES↗
DOE OSTI2020

Finite-Temperature Structures of Supported Subnanometer Catalysts Inferred via Statistical Learning and Genetic Algorithm-Based Optimization

Single-atom catalysts (SACs) minimize noble metal utilization and can alter the activity and selectivity of supported metal nanoparticles. However, the morphology of active centers, including single atoms and subnanometer clusters of a few atoms, remains elusive due to experimental challenges. The computational cost to describe numerous cluster shapes and sizes makes direct first-principles calculations impractical. We present a computational framework to enable structure determination for single-atom and subnanometer cluster catalysts. As a case study, we obtained the low energy structures of Pd n (n = 1-21) clusters supported on CeO 2 (111), which are critical components of automobile three-way catalysts. Trained on density functional theory data, a three-dimensional cluster expansion is established using statistical learning to describe the Hamiltonian and predict energies of supported Pdn clusters of any structure. Low energy stable and metastable structures are identified using a Metropolis Monte Carlo-based genetic algorithm in the canonical ensemble at 300 K. We observe that supported single atoms sinter to form bilayer clusters and large cluster isomers share similarities in both shape and energy, and elucidate the significance of the support and microstructure on cluster stability. We discovered a simple surrogate structure-energy model, where the energy per atom scales with the square root of the average first coordination number, which can be used to estimate energies and compare the stability of clusters. Our framework, applicable to any metal/support system, fills an important methodological gap to predict the stability of supported metal catalysts in the subnanometer regime.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

Estimated accuracy of ground-based liquid water measurements during FIRE

Since on goal of the First ISCCP Regional Experiment (FIRE) project is to improve our understanding of the relationships between cloud microphysics and cloud reflectivity, it is important that the accuracy of remote liquid measurements by microwave radiometry be thoroughly understood. The question is particularly relevant since the uncertainty in the absolute value of the radiometric liquid measurement is greatest at low liquid water contents (less than 0.1 mm). However it should be stressed that although uncertainty exists in the absolute value of liquid, it is well known that the observed radiometric signal is proportional to the amount of liquid in the antenna beam. As a result, changes in amounts of liquid are known to greater accuracy than the absolute value, which may contain a bias. Here, an assessment of the liquid measurement accuracy attained at San Nicolas Island (SNI) is presented. The vapor and liquid water data shown were computed from the radiometric brightness temperatures using statistical retrieval algorithms. The retrieval coefficients were derived from the 69 soundings made by Colorado State University during the SNI observations. Sources of error in the vapor and liquid measurements include cross-talk in the retrieval algorithms (not a factor at low liquid contents), uncertainties in the brightness temperature measurement, and uncertainties in the vapor and liquid attenuation coefficients. The relative importance of these errors is discussed. For the retrieval of path-integrated liquid water, the greatest uncertainty is caused by the temperature dependence of the absorption at microwave frequencies. As a result, the accuracy of statistical retrieval of liquid depends to large measure upon how representative the a priori radiosonde data are of the conditions prevailing during the measurements. The microwave radiometer measurements at SNI were supplemented by an infrared (IR) radiometer modified for measurement of cloud-base temperature. Thus, the IR system provides the means to incorporate continuous measurements of the liquid temperature into the retrieval process.

Snider, Jack B.↗
NASA NTRS1993

TOPEX/POSEIDON Microwave Radiometer (TMR): III. Wet Troposphere Range Correction Algorithm and Pre-Launch Error Budget

The sole mission function of the TOPEX/POSEIDON Microwave Radiometer (TMR) is to provide corrections for the altimeter range errors induced by the highly variable atmospheric water vapor content. The three TMR frequencies are shown to be near-optimum for measuring the vapor-induced path delay within an environment of variable cloud cover and variable sea surface flux background. After a review of the underlying physics relevant to the prediction of 5-40 GHz nadir-viewing microwave brightness temperatures, we describe the development of the statistical, iterative algorithm used for the TMR retrieval of path delay. Test simulations are presented which demonstrate the uniformity of algorithm performance over a range of cloud liquid and sea surface wind speed conditions...

Keihm, S. J.↗
NASA NTRS1982

Some statistical performance characteristics of the 'ITD' modal identification algorithm

Performance characteristics of the Ibrahim time-domain algorithms are examined on a statistical basis. The method uses multiple free-response measurements from a test structure directly in the time domain, and displays varying accuracy, with the strongly excited modes identified most accurately and the weakly excited modes least accurately. Sets of computer-generated free-response functions for a simple 1-mode model are used to study the identification performance for several basic changes in the modal characteristics of the data, the user-selectable analysis constants, and the level of superimposed noise. Results indicate the existence of a direct and often linear effect of noise on the scatter of identified parameters, and good identification is maintained at the 1% noise level down to the point in frequency when only 1/4-cycle of data is analyzed.

Pappa, R. S.↗
DOE OSTI2018

Final Scientific/Technical Report: Integrating Advanced Software and Statistical Methods for Spectroscopic Dark Energy Surveys

“Dark energy” is a phenomenon of unknown origin that pervades the vacuum of space and is causing the present-day expansion of the universe to accelerate. Understanding the nature of dark energy is one of the most fundamental challenges to modern physics, having the potential to revolutionize our theories of both gravity and elementary particle physics. The effects of dark energy are currently only accessible to astronomical survey experiments that probe large volumes of the cosmos. One of the most powerful forms of experiment for studying dark energy is the cosmological “redshift survey,” which maps the large-scale structure of the universe as traced by the positions of galaxies, quasars, and intergalactic hydrogen clouds. The signature of dark energy and other cosmological parameters is imprinted on this large-scale structure as it evolves over cosmic time. This project focused on maximizing the accurate extraction of information from redshift surveys by improving the algorithms and statistics applied across the chain of inference from raw pixels to high-level cosmological parameter estimation. At the low level, this project developed new techniques for calibrating and analyzing high-background, low signal-to-noise data from astronomical survey spectrographs to provide reliable three-dimensional maps of galaxies and quasars throughout the universe. At the high level, this project developed new statistical frameworks for understanding the completeness of redshift surveys and the underlying demographics of the galaxies that they observe, thereby allowing for a more accurate connection between survey results and theoretical models. This work contributes to maximizing the scientific reach of existing and planned surveys, and opens new potential feasibility for more ambitious surveys in the future.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2012

An Automated Algorithm to Screen Massive Training Samples for a Global Impervious Surface Classification

An algorithm is developed to automatically screen the outliers from massive training samples for Global Land Survey - Imperviousness Mapping Project (GLS-IMP). GLS-IMP is to produce a global 30 m spatial resolution impervious cover data set for years 2000 and 2010 based on the Landsat Global Land Survey (GLS) data set. This unprecedented high resolution impervious cover data set is not only significant to the urbanization studies but also desired by the global carbon, hydrology, and energy balance researches. A supervised classification method, regression tree, is applied in this project. A set of accurate training samples is the key to the supervised classifications. Here we developed the global scale training samples from 1 m or so resolution fine resolution satellite data (Quickbird and Worldview2), and then aggregate the fine resolution impervious cover map to 30 m resolution. In order to improve the classification accuracy, the training samples should be screened before used to train the regression tree. It is impossible to manually screen 30 m resolution training samples collected globally. For example, in Europe only, there are 174 training sites. The size of the sites ranges from 4.5 km by 4.5 km to 8.1 km by 3.6 km. The amount training samples are over six millions. Therefore, we develop this automated statistic based algorithm to screen the training samples in two levels: site and scene level. At the site level, all the training samples are divided to 10 groups according to the percentage of the impervious surface within a sample pixel. The samples following in each 10% forms one group. For each group, both univariate and multivariate outliers are detected and removed. Then the screen process escalates to the scene level. A similar screen process but with a looser threshold is applied on the scene level considering the possible variance due to the site difference. We do not perform the screen process across the scenes because the scenes might vary due to the phenology, solar-view geometry, and atmospheric condition etc. factors but not actual landcover difference. Finally, we will compare the classification results from screened and unscreened training samples to assess the improvement achieved by cleaning up the training samples. Keywords:

Tan, Bin↗
DOE OSTI2018

Optimal Portfolio Management in a Modified Constant Elasticity of Variance Model

We investigate the optimal management of a portfolio consisting of a risk asset and a risk-free bond. The asset dynamics is specified by the M-CEV model. Assuming that the investor has a power utility function, we derive an explicit analytical portfolio-management formula that contains confluent hypergeometric functions. The asymptotic form of the proposed portfolio management strategy is obtained, as well as approximate formulas consisting only of elementary functions. We additionally present an application of our results in the context of algorithmic statistical-arbitrage strategies.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Advancing Fusion with Machine Learning Research Needs Workshop Report

Abstract Machine learning and artificial intelligence (ML/AI) methods have been used successfully in recent years to solve problems in many areas, including image recognition, unsupervised and supervised classification, game-playing, system identification and prediction, and autonomous vehicle control. Data-driven machine learning methods have also been applied to fusion energy research for over 2 decades, including significant advances in the areas of disruption prediction, surrogate model generation, and experimental planning. The advent of powerful and dedicated computers specialized for large-scale parallel computation, as well as advances in statistical inference algorithms, have greatly enhanced the capabilities of these computational approaches to extract scientific knowledge and bridge gaps between theoretical models and practical implementations. Large-scale commercial success of various ML/AI applications in recent years, including robotics, industrial processes, online image recognition, financial system prediction, and autonomous vehicles, have further demonstrated the potential for data-driven methods to produce dramatic transformations in many fields. These advances, along with the urgency of need to bridge key gaps in knowledge for design and operation of reactors such as ITER, have driven planned expansion of efforts in ML/AI within the US government and around the world. The Department of Energy (DOE) Office of Science programs in Fusion Energy Sciences (FES) and Advanced Scientific Computing Research (ASCR) have organized several activities to identify best strategies and approaches for applying ML/AI methods to fusion energy research. This paper describes the results of a joint FES/ASCR DOE-sponsored Research Needs Workshop on Advancing Fusion with Machine Learning, held April 30–May 2, 2019, in Gaithersburg, MD (full report available at https://science.osti.gov/-/media/fes/pdf/workshop-reports/FES_ASCR_Machine_Learning_Report.pdf ). The workshop drew on broad representation from both FES and ASCR scientific communities, and identified seven Priority Research Opportunities (PRO’s) with high potential for advancing fusion energy. In addition to the PRO topics themselves, the workshop identified research guidelines to maximize the effectiveness of ML/AI methods in fusion energy science, which include focusing on uncertainty quantification, methods for quantifying regions of validity of models and algorithms, and applying highly integrated teams of ML/AI mathematicians, computer scientists, and fusion energy scientists with domain expertise in the relevant areas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

The impact of urban configuration types on urban heat islands, air pollution, CO 2 emissions, and mortality in Europe: a data science approach

The world is becoming increasingly urbanized. As cities around the world continue to grow, it is important for urban planners and policymakers to understand how different urban configuration patterns affect the environment and human health. We aimed at identifying European urban configuration types, based on the Local Climate Zones categories and street design variables from Open Street Map, and evaluating their association with motorized traffic flows, Surface Urban Heat Island (SUHI) intensities, tropospheric nitrogen dioxide (NO 2 ), CO 2 per capita emissions and age-standardized mortality. We considered 946 European cities from 31 countries for the analysis defined in the 2018 Urban Audit database, of which 919 European cities were analysed. Data were collected at a 250 m × 250 m grid cell resolution. We divided all cities into five concentric rings based on the Burgess concentric urban planning model and calculated the mean values of all variables for each ring. First, to identify distinct urban configuration types, we applied the Uniform Manifold Approximation and Projection for Dimension Reduction method, followed by the k-means clustering algorithm. Next, statistical differences in exposures (including SUHI) and mortality between the resulting urban configuration types were evaluated using a Kruskal–Wallis test followed by a post-hoc Dunn's test. We identified four distinct urban configuration types characterising European cities: compact high density (n=246), open low-rise medium density (n=245), open low-rise low density (n=261), and green low density (n=167). Compact high density cities were a small size, had high population densities, and a low availability of natural areas. In contrast, green low-density cities were a large size, had low population densities, and a high availability of natural areas and cycleways. The open low-rise medium and low-density cities were a small to medium size with medium to low population densities and low to moderate availability of green areas. Motorised traffic flows and NO 2 exposure were significantly higher in compact high density and open low rise medium density cities when compared with green low density and open low-rise low density cities. Additionally, green low-density cities had a significantly lower SUHI effect compared with all other urban configuration types. Per person CO 2 emissions were significantly lower in compact high density cities compared with green low density cities. Lastly, green low density cities had significantly lower mortality rates when compared with all other urban configuration types. Our findings indicate that, although the compact city model is more sustainable, European compact cities still face challenges related to poor environmental quality and health. Our results have notable implications for urban and transport planning policies in Europe and contribute to the ongoing discussion on which city models can bring the greatest benefits for the environment, climate, and health.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Database-wide hazard modelling of the onset of DIII-D tearing modes with field features

The rate of onset (hazard) of tearing modes is modelled probabilistically using statistical learning algorithms. Axisymmetric energy-density equilibrium fields are taken as raw high-dimensional input features which are reduced with principal component analysis. Signal processing of non-axisymmetric magnetics fluctuation array data provides the target information from which to learn. Model selection, visualization and calibration assessment procedures are detailed. Here, the analysis is deployed at large scale across the DIII-D tokamak database. Standard model selection criteria suggest that the energy-density post-processed feature is a better choice for modelling the onset rate compared to the non-processed equilibrium reconstruction solution. Two example applications of the learned rate function are demonstrated: (i) proximity-to-onset discharge monitoring and (ii) database analysis showing an (expected) observational global trend that the general hazard increases as a plasma performance metric increases. An important connection between the hazard function and its use as a conditional probability generator is reviewed in the Appendix.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Self-Assembly of a Triblock Copolymer in the Presence of a Rigid Conjugated Polyelectrolyte

The properties of conducting polymers are strongly influenced by structural changes induced by long-range order, which can be achieved by using block copolymers that self-assemble into crystalline structures. These blends result in unique mesophases distinct from the pure components with self-assembly behavior modulated by solution conditions and polymer architectures. High-throughput small-angle X-ray scattering data of aqueous Pluronic P123 (PEO 20 –PPO 70 –PEO 20 ) and conjugated polyelectrolyte poly[3-(potassium-4-butanoate) thiophene-2,5-diyl] (PPBT) blends at various concentrations and temperatures were automatically classified into phase maps by autophasemap, an unsupervised statistical analysis algorithm. The outlined phase boundaries revealed that adding PPBT to high P123 concentrations induced a transition from cubicly ordered spherical micelles to hexagonally packed cylindrical micelles. Shear alignment via rheological small-angle neutron scattering of the blends produced monolithic oriented cubic and hexagonal crystal gels. Furthermore, these insights into the self-assembly of conductive polymer blends will aid in the design of soft materials with tunable structural and electronic properties.

36 MATERIALS SCIENCE↗
DOE OSTI2025

The Power of Many: An Ensemble Approach to Spectral Similarity

Quantifying the similarity between two mass spectra─a known reference mass spectrum and an unidentified sample mass spectrum─is at the heart of compound identification workflows in gas chromatography–mass spectrometry (GC-MS). The reference spectrum most like the sample is assigned as its identification (provided some quantitative similarity threshold is met, e.g., 80%) and thus accurately measuring similarity is essential. Significant research has gone toward developing metrics for this purpose, each of which has attempted to improve upon existing methods by incorporating GC-MS-specific information (e.g., peak ratios or retention times) or adopting various statistical and algorithmic frameworks. While this active development has led to a plethora of similarity metrics with demonstrated value across different contexts, the unfortunate consequence has been confusion surrounding which metric should be used as a global standard. No such metric is currently accepted as the standard method because different metrics have demonstrated optimal performance in different contexts. In this work, we propose an ensemble approach to spectral similarity scoring that combines the collective information from across existing similarity metrics to form an improved, globally representative similarity metric as a step toward establishing a global standard method. In conclusion, the resulting ensemble metrics are evaluated on over 88,000 spectra of varying complexity and demonstrate improved abilities to accurately rank the correct reference spectrum as the top-matching candidate for a sample relative to the rankings generated by individual similarity scores.

Carbohydrates↗
DOE OSTI2020

Assessing Historical Variability of South Asian Monsoon Lows and Depressions With an Optimized Tracking Algorithm

Abstract Cyclonic low‐pressure systems (LPS) produce abundant rainfall in South Asia, where they are traditionally categorized as monsoon lows, monsoon depressions, and more intense cyclonic storms. The India Meteorological Department (IMD) has tracked monsoon depressions for over a century, finding a large decline in their number in recent decades, but their methods have changed over time and do not include monsoon lows. This study presents a fast, objective algorithm for identifying monsoon LPS and uses it to assess interannual variability and trends in reanalyses. Variables and thresholds used in the algorithm are selected to best match a subjectively analyzed LPS data set while minimizing disagreement between four reanalyses in a training period. The stream function of 850 hPa horizontal wind is found to be optimal in this sense; it is less noisy than vorticity and represents the complete nondivergent wind, even when flow is not geostrophic. Using this algorithm, LPS statistics are computed for five reanalyses, and none show a detectable trend in monsoon depression counts since 1979. Both the Japanese 55‐year Reanalysis (JRA‐55) and the IMD data set show a step‐like reduction in depression counts when they began using geostationary satellite data, in 1979 and 1982, respectively; the 1958–2018 linear trend in JRA‐55, however, is smaller than in the IMD data set, and its error bar includes 0. There are more LPS in seasons with above‐average monsoon rainfall and in La Niña years, but few other large‐scale modes of interannual variability are found to modulate LPS counts, lifetimes, or track length consistently across reanalyses.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Identification of high-dielectric constant compounds from statistical design

Abstract The discovery of high-dielectric materials is crucial to increasing the efficiency of electronic devices and batteries. Here, we report three previously unexplored materials with very high dielectric constants (69 < ϵ < 101) and large band gaps (2.9 < E g (eV) < 5.5) obtained by screening materials databases using statistical optimization algorithms aided by artificial neural networks (ANN). Two of these new dielectrics are mixed-anion compounds (Eu 5 SiCl 6 O 4 and HoClO) and are shown to be thermodynamically stable against common semiconductors via phase diagram analysis. We also uncovered four other materials with relatively large dielectric constants (20 < ϵ < 40) and band gaps (2.3 < E g (eV) < 2.7). While the ANN training-data are obtained from the Materials Project, the search-space consists of materials from the Open Quantum Materials Database (OQMD)—demonstrating a successful implementation of cross-database materials design. Overall, we report the dielectric properties of 17 materials calculated using ab initio calculations, that were selected in our design workflow. The dielectric materials with high-dielectric properties predicted in this work open up further experimental research opportunities.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Demeter-W

Demeter-W, an open-access software written in Python, consists of extensible module packages. It is developed with statistical downscaling algorithms, to spatially and temporally downscale water demand data into finer scale. The spatial resolution will be downscaled from region/basin scale to grid (0.5 geographic degree) scale and the temporal resolution will be downscaled from year to month. For better understanding of the driving forces and patterns for global water withdrawal, the researchers is able to utilize Demeter-W to reconstruct the data sets to examine the issues related to water withdrawals at fine spatial and temporal scales.

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