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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 937 records · Page 52

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NASA NTRS1981

Geologic applications of thermal-inertia mapping from satellite

In the Powder River Basin, Wyo., narrow geologic units having thermal inertias which contrast with their surroundings can be discriminated in optimal images. A few subtle thermal inertia anomalies coincide with areas of helium leakage believed to be associated with deep oil and gas concentrations. The most important results involved delineation of tectonic framework elements some of which were not previously recognized. Thermal and thermal inertia images also permit mapping of geomorphic textural domains. A thermal lineament appears to reveal a basement discontinuity which involves the Homestake Mine in the Black Hill, a zone of Tertiary igneous activity and facies control in oil producing horizons. Applications of these data to the Cabeza Prieta, Ariz., area illustrate their potential for igneous rock type discrimination. Extension to Yellowstone National Park resulted in the detection of additional structural information but surface hydrothermal features could not be distinguished with any confidence. A thermal inertia mapping algorithm, a fast and accurate image registration technique, and an efficient topographic slope and elevation correction method were developed.

Offield, T. W.↗

NASA NTRS1982

Interaction of a cumulus cloud ensemble with the large-scale environment. IV - The discrete model

The Arakawa-Schubert (1974) parameterization is applied to a prognostic model of large-scale atmospheric circulations and used to analyze data in a general circulation model (GCM). The vertical structure of the large-scale model and the solution for the cloud subensemble thermodynamical properties are examined to choose cloud levels and representative regions. A mass flux distribution equation is adapted to formulate algorithms for calculating the large-scale forcing and the mass flux kernel, using either direct solution or linear programming. Finally, the feedback of the cumulus ensemble on the large-scale environment for a given subensemble mass flux is calculated. All cloud subensemble properties were determined from the conservation of mass, moist static energy, and total water.

Lord, S. J.↗

NASA NTRS1984

Fidelity of Satellite Soundings

Two pattern recognition procedures to provide improvements to first guess fields for satellite temperature retrievals were developed. The first technique where a radiometer measurement is used to select one or more historical radiosonde temperature profiles as analog estimates of ambient thermal structure. Radiosondes are the vertical scales of the analogs. The vertical resolving power of the satellite radiometer is relevant only to a decision process. The analog selection process is much more effective if implemented in an orthogonalized space of measurement information. The second procedure partitions a priori dependent data into shape coherent pattern libraries using structure information inherent in the data itself. It is shown that the pattern recognition techniques are able to reduce first guess profile errors by nearly 50%. The impact of pattern recognition on temperature retrieval error is assessed by regression and physical iterative retrieval algorithms. The influence of improved first guess fields is markedly different on these two types of algorithm. Pattern recognition was a strong positive impact on the physical iterative method.

Thompson, O.↗

NASA NTRS1990

Evolution and advanced technology

The NASREM architecture with its standard interfaces permits development and evolution of the Flight Telerobotic Servicer to greater autonomy. Technologies in control strategies for an arm with seven DOF, including a safety system containing skin sensors for obstacle avoidance, are being developed. Planning and robotic execution software includes symbolic task planning, world model data bases, and path planning algorithms. Research over the last five years has led to the development of laser scanning and ranging systems, which use coherent semiconductor laser diodes for short range sensing. The possibility of using a robot to autonomously assemble space structures is being investigated. A control framework compatible with NASREM is being developed that allows direct global control of the manipulator. Researchers are developing systems that permit an operator to quickly reconfigure the telerobot to do new tasks safely.

Ollendorf, Stanford↗

NASA NTRS1991

Model correlation and damage location for large space truss structures: Secant method development and evaluation

On-orbit testing of a large space structure will be required to complete the certification of any mathematical model for the structure dynamic response. The process of establishing a mathematical model that matches measured structure response is referred to as model correlation. Most model correlation approaches have an identification technique to determine structural characteristics from the measurements of the structure response. This problem is approached with one particular class of identification techniques - matrix adjustment methods - which use measured data to produce an optimal update of the structure property matrix, often the stiffness matrix. New methods were developed for identification to handle problems of the size and complexity expected for large space structures. Further development and refinement of these secant-method identification algorithms were undertaken. Also, evaluation of these techniques is an approach for model correlation and damage location was initiated.

Smith, Suzanne Weaver↗

NASA NTRS1993

Optimum Design of Aerospace Structural Components Using Neural Networks

The application of artificial neural networks to capture structural design expertise is demonstrated. The principal advantage of a trained neural network is that it requires a trivial computational effort to produce an acceptable new design. For the class of problems addressed, the development of a conventional expert system would be extremely difficult. In the present effort, a structural optimization code with multiple nonlinear programming algorithms and an artificial neural network code NETS were used. A set of optimum designs for a ring and two aircraft wings for static and dynamic constraints were generated using the optimization codes. The optimum design data were processed to obtain input and output pairs, which were used to develop a trained artificial neural network using the code NETS. Optimum designs for new design conditions were predicted using the trained network. Neural net prediction of optimum designs was found to be satisfactory for the majority of the output design parameters. However, results from the present study indicate that caution must be exercised to ensure that all design variables are within selected error bounds.

Berke, L.↗

DOE OSTI2025

Distinguishing isotropic and anisotropic signals for X-ray total scattering using machine learning

Understanding structure–property relationships is essential for advancing technologies based on thin films. X-ray pair distribution function (PDF) analysis can access relevant atomic structure details spanning local-, mid- and long-range structure. While X-ray PDF has been adapted for thin films on amorphous substrates, measurements on single-crystal substrates are necessary to accurately determine structure origins for some thin film materials, especially those for which the substrate changes the accessible structure and properties. However, when measuring films on single-crystal substrates, high-intensity anisotropic Bragg spots saturate 2D detector images, overshadowing the thin films' isotropic scattering signal. This renders previous data processing methods for films on amorphous substrates unsuitable for films on single-crystal substrates. To address this measurement need, we developed IsoDAT2D, an innovative data processing approach using unsupervised machine learning algorithms. The program combines dimensionality reduction and clustering algorithms to separate thin film and single-crystal substrate X-ray scattering signals. We use SimDAT2D , a program we developed to generate simulated thin film data, to validate IsoDAT2D . Here we also use IsoDAT2D to isolate X-ray total scattering signal from a thin film on a single-crystal substrate. The resulting PDF data are compared with similar data processed using previous methods, especially substrate subtraction for single-crystal and amorphous substrates. PDF data from IsoDAT2D -identified X-ray total scattering data are significantly better than from single-crystal substrate subtraction, but not as reliable as PDF data from amorphous substrate subtraction. With IsoDAT2D , there are new opportunities to expand PDF to a wider variety of thin films, including those on single-crystal substrates, with which new structure–property relationships can be elucidated to enable fundamental understanding and technological advances.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Development of neural network force fields for corrosion studies

To fully understand the chemistry and physics of corrosion, novel methods of simulation must be developed. One approach is designing machine learning (ML) algorithms integrated with density functional theory to develop adaptive force fields to gain insight into corrosion behavior namely at the surface of metal oxides. Current methods of modeling corrosion are slow due to the computational cost of resolving both reaction mechanics and mass transport processes. Machine learning methods can be implemented to obtain structure-activity relationships at both the molecular and bulk scale while still retaining the accuracy of density functional theory (DFT) and significantly decreasing the time needed for simulations of complex chemical processes in the various environments of corrosion. Multiscale models are needed for corrosion studies to fully understand its processes not only at the atomic length scale (chemical bonding, energies, and forces), but also at the nano and meso length scales (solid-state physics and material science processes). Current methods of study include DFT, molecular dynamics, and Monte Carlo. The limitation of DFT is that only a small number of atoms or molecules can be simulated at that level of theory. Density functional theory is used to study the electronic structure of atoms and molecules, and calculate the force component of each atom. However, these calculations are limited to about 1000 atoms. Custom periodic boundary conditions (PBC) can be used to describe the various environments and defects that affect the atomic forces to produce a large data set from which a training set can be derived. Machine learning can be utilized to overcome the barrier of modeling macroscopic and multi-scale processes from ab initio calculations through the development of adaptive force fields. Local environments determine the atomic forces of a given system, therefore adaptive force fields must be created to produce reliable quantum mechanical calculations. This can be achieved by developing a learning algorithm that uses the mapped atomic forces or fingerprint as an input to produce energies and magnetic moments as output. A systematic approach was used to begin to build a data set in order to accurately describe the atomic forces in various environments. In Figure 4 below, a simple PBC cell of Fe{sub 2}O{sub 3} was first optimized. A surface optimization was performed next, followed by a hydroxylated surface optimization. Once this calculation has converged, the adsorption of halide species to the hydroxylated surface will be investigated. TensorFlow is an open source platform for machine learning developed by Google. Using a high level application program interface (API) such as Keras allows for building and training ML models easily in a number of different environments and languages. For this project, a neural network was developed within Anaconda in Python. Future Work: Further development of reference data set; Refining neural network and learning algorithm; Fingerprinting atomic environment to enable mapping of atomic force components; Choosing appropriate training set from reference data; Learning from training set and enabling non-linear mapping of training set fingerprints and the atomic forces; Estimation of uncertainty to identify ranges of outside applicability; Testing and analysis of molecular dynamic simulations.

36 MATERIALS SCIENCE↗

NASA NTRS1986

An analysis of mesoscale VAS retrievals using statistical structure functions

Mesoscale sounding data from a truth rawinsonde network and a VAS from March 6-7, 1982 are statistically studied. The parameters of temperature, geopotential height, and mixing ratio at 850, 700, 500, 300, and 200 mb levels, and thickness and precipitable water are examined. The VAS retrieval gradients derived from a physical algorithm and from a regression technique are analyzed; the analysis reveals that both techniques have similar error characteristics and capabilities for calculating gradients of mesoscale temperature and geopotential height. Ground-truth rawinsonde data and VAS retrievals are compared; it is observed that VAS data describes weaker gradients than rawinsonde data.

Fuelberg, H. E.↗

DOE OSTI2023

Stabilizing a strongly nonlinear structure through shaker dynamics in fixed frequency voltage control tests

Bifurcations are commonly encountered during force controlled swept and stepped sine testing of nonlinear structures, which generally leads to the so-called jump-down or jump-up phenomena between stable solutions. There are various experimental closed-loop control algorithms, such as control-based continuation and phase-locked loop, to stabilize dynamical systems through these bifurcations, but they generally rely on specialized control algorithms that are not readily available with many commercial data acquisition software packages. A recent method was developed to experimentally apply sequential continuation using the shaker voltage that can be readily deployed using commercially available software. By utilizing the stabilizing effects of electrodynamic shakers and the force dropout phenomena in fixed frequency voltage control sine tests, this approach has been demonstrated to stabilize the unstable branch of a nonlinear system with three branches, allowing for three multivalued solutions to be identified within a specific frequency bandwidth near resonance. Recent testing on a strongly nonlinear system with vibro-impact nonlinearity has revealed jumping behavior when performing sequential continuation along the voltage parameter, like the jump phenomena seen during more traditional force controlled swept and stepped sine testing. Here, this paper investigates the stabilizing effects of an electrodynamic shaker on strongly nonlinear structures in fixed frequency voltage control tests using both numerical and experimental methods. The harmonic balance method is applied to the coupled shaker-structure system with an electromechanical model to simulate the fixed voltage control tests and predict the stabilization for different parameters of the model. The simulated results are leveraged to inform the design of a set of experiments to demonstrate the stabilization characteristics on a fixture-pylon assembly with a vibro-impact nonlinearity. Through numerical simulation and experimental testing on two different strongly nonlinear systems, the various parameters that influence the stability of the coupled shaker-structure are revealed to better understand the performance of fixed frequency voltage control tests.

42 ENGINEERING↗

DOE OSTI2026

Two datasets are better than one: method of double moments for 3D reconstruction in cryo-EM

Cryo-electron microscopy is a powerful imaging technique for reconstructing three-dimensional molecular structures from noisy tomographic projection images of randomly oriented particles. We introduce a new data fusion framework, termed the method of double moments, which reconstructs molecular structures from two instances of the second-order moment of projection images obtained under distinct orientation distributions: one uniform, the other non-uniform and unknown. We prove that these moments generically uniquely determine the underlying structure, up to a global rotation and reflection, and we develop a convex-relaxation-based algorithm that achieves accurate recovery using only second-order statistics. Our results demonstrate the advantage of collecting and modeling multiple datasets under different experimental conditions, illustrating that leveraging dataset diversity can substantially enhance reconstruction quality in computational imaging tasks.

Kam’s method↗

NASA NTRS2012

Hardware Implementation of Lossless Adaptive Compression of Data From a Hyperspectral Imager

Efficient onboard data compression can reduce the data volume from hyperspectral imagers on NASA and DoD spacecraft in order to return as much imagery as possible through constrained downlink channels. Lossless compression is important for signature extraction, object recognition, and feature classification capabilities. To provide onboard data compression, a hardware implementation of a lossless hyperspectral compression algorithm was developed using a field programmable gate array (FPGA). The underlying algorithm is the Fast Lossless (FL) compression algorithm reported in Fast Lossless Compression of Multispectral- Image Data (NPO-42517), NASA Tech Briefs, Vol. 30, No. 8 (August 2006), p. 26 with the modification reported in Lossless, Multi-Spectral Data Comressor for Improved Compression for Pushbroom-Type Instruments (NPO-45473), NASA Tech Briefs, Vol. 32, No. 7 (July 2008) p. 63, which provides improved compression performance for data from pushbroom-type imagers. An FPGA implementation of the unmodified FL algorithm was previously developed and reported in Fast and Adaptive Lossless Onboard Hyperspectral Data Compression System (NPO-46867), NASA Tech Briefs, Vol. 36, No. 5 (May 2012) p. 42. The essence of the FL algorithm is adaptive linear predictive compression using the sign algorithm for filter adaption. The FL compressor achieves a combination of low complexity and compression effectiveness that exceeds that of stateof- the-art techniques currently in use. The modification changes the predictor structure to tolerate differences in sensitivity of different detector elements, as occurs in pushbroom-type imagers, which are suitable for spacecraft use. The FPGA implementation offers a low-cost, flexible solution compared to traditional ASIC (application specific integrated circuit) and can be integrated as an intellectual property (IP) for part of, e.g., a design that manages the instrument interface. The FPGA implementation was benchmarked on the Xilinx Virtex IV LX25 device, and ported to a Xilinx prototype board. The current implementation has a critical path of 29.5 ns, which dictated a clock speed of 33 MHz. The critical path delay is end-to-end measurement between the uncompressed input data and the output compression data stream. The implementation compresses one sample every clock cycle, which results in a speed of 33 Msample/s. The implementation has a rather low device use of the Xilinx Virtex IV LX25, making the total power consumption of the implementation about 1.27 W.

Keymeulen, Didlier↗

DOE OSTI2023

Effects of error, chimera, bias, and GC content on the accuracy of amplicon sequencing

ABSTRACT Targeted amplicon sequencing is widely used in microbial ecology studies. However, sequencing artifacts and amplification biases are of great concern. To identify sources of these artifacts, a systematic analysis was performed using mock communities comprised of 16S rRNA genes from 33 bacterial strains. Our results indicated that while sequencing errors were generally isolated to low-abundance operational taxonomic units, chimeric sequences were a major source of artifacts. Singleton and doubleton sequences were primarily chimeras. Formation of chimeric sequences was significantly correlated with the GC content of the targeted sequences. Low-GC-content mock community members exhibited lower rates of chimeric sequence formation. GC content also had a large impact on sequence recovery. The quantitative capacity was notably limited, with substantial recovery variations and weak correlation between anticipated and observed strain abundances. The mock community strains with higher GC content had higher recovery rates than strains with lower GC content. Amplification bias was also observed due to the differences in primer affinity. A two-step PCR strategy reduced the number of chimeric sequences by half. In addition, comparative analyses based on the mock communities showed that several widely used sequence processing pipelines/methods, including DADA2, Deblur, UCLUST, UNOISE, and UPARSE, had different advantages and disadvantages in artifact removal and rare species detection. These results are important for improving sequencing quality and reliability and developing new algorithms to process targeted amplicon sequences. IMPORTANCE Amplicon sequencing of targeted genes is the predominant approach to estimate the membership and structure of microbial communities. However, accurate reconstruction of community composition is difficult due to sequencing errors, and other methodological biases and effective approaches to overcome these challenges are essential. Using a mock community of 33 phylogenetically diverse strains, this study evaluated the effect of GC content on sequencing results and tested different approaches to improve overall sequencing accuracy while characterizing the pros and cons of popular amplicon sequence data processing approaches. The sequencing results from this study can serve as a benchmarking data set for future algorithmic improvements. Furthermore, the new insights on sequencing error, chimera formation, and GC bias from this study will help enhance the quality of amplicon sequencing studies and support the development of new data analysis approaches.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Space‐Time Causal Discovery in Earth System Science: A Local Stencil Learning Approach

Causal discovery tools enable scientists to infer meaningful relationships from observational data, spurring advances in fields as diverse as biology, economics, and climate science. Despite these successes, the application of causal discovery to space-time systems remains immensely challenging due to the high-dimensional nature of the data. For example, in climate sciences, modern observational temperature records over the past few decades regularly measure thousands of locations around the globe. To address these challenges, we introduce Causal Space-Time Stencil Learning (CaStLe), a novel meta-algorithm for discovering causal structures in complex space-time systems. CaStLe leverages regularities in local space-time dependencies to learn governing global dynamics. This local perspective eliminates spurious confounding and drastically reduces sample complexity, making space-time causal discovery practical and effective. For causal discovery, CaStLe flexibly accepts any appropriately adapted time series causal discovery algorithm to recover local causal structures. These advances enable causal discovery of geophysical phenomena that were previously unapproachable, including non-periodic, transient phenomena such as volcanic eruption plumes. Regularities in local space-time dependencies are transformed into informative spatial replicates, which actually improve CaStLe's performance when applied to ever-larger spatial grids. We successfully apply CaStLe to discover the atmospheric dynamics governing the climate response to the 1991 Mount Pinatubo volcanic eruption. We provide validation experiments to demonstrate the effectiveness of CaStLe over existing causal-discovery frameworks on a range of geophysics-inspired benchmarks while identifying the method's limitations and domains where its assumptions may not hold.

Nichol, J. Jake [Univ. of New Mexico, Albuquerque,↗

DOE OSTI2023

BigNeuron: a resource to benchmark and predict performance of algorithms for automated tracing of neurons in light microscopy datasets

BigNeuron is an open community bench-testing platform with the goal of setting open standards for accurate and fast automatic neuron tracing. We gathered a diverse set of image volumes across several species that is representative of the data obtained in many neuroscience laboratories interested in neuron tracing. Here, we report generated gold standard manual annotations for a subset of the available imaging datasets and quantified tracing quality for 35 automatic tracing algorithms. The goal of generating such a hand-curated diverse dataset is to advance the development of tracing algorithms and enable generalizable benchmarking. Together with image quality features, we pooled the data in an interactive web application that enables users and developers to perform principal component analysis, t-distributed stochastic neighbor embedding, correlation and clustering, visualization of imaging and tracing data, and benchmarking of automatic tracing algorithms in user-defined data subsets. The image quality metrics explain most of the variance in the data, followed by neuromorphological features related to neuron size. Furthermore, we observed that diverse algorithms can provide complementary information to obtain accurate results and developed a method to iteratively combine methods and generate consensus reconstructions. The consensus trees obtained provide estimates of the neuron structure ground truth that typically outperform single algorithms in noisy datasets. However, specific algorithms may outperform the consensus tree strategy in specific imaging conditions. Finally, to aid users in predicting the most accurate automatic tracing results without manual annotations for comparison, we used support vector machine regression to predict reconstruction quality given an image volume and a set of automatic tracings.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Graphical Gaussian Process Regression Model for Aqueous Solvation Free Energy Prediction of Organic Molecules in Redox Flow Battery

The solvation free energy of organic molecules is a critical parameter in determining emergent properties such as solubility, liquid-phase equilibrium constants, and pKa and redox potentials in an organic redox flow battery. In this work, we present a machine learning (ML) model that can learn and predict the aqueous solvation free energy of an organic molecule using Gaussian process regression method based on a new molecular graph kernel. To investigate the performance of the ML model on electrostatic interaction, the nonpolar interaction contribution of solvent and the conformational entropy of solute in solvation free energy, three data sets with implicit or explicit water solvent models, and contribution of conformational entropy of solute are tested. We demonstrate that our ML model can predict the solvation free energy of molecules at chemical accuracy with a mean absolute error of less than 1 kcal/mol for subsets of the QM9 dataset and the Freesolv database. To solve the general data scarcity problem for a graph-based ML model, we propose a dimension reduction algorithm based on the distance between molecular graphs, which can be used to examine the diversity of the molecular data set. It provides a promising way to build a minimum training set to improve prediction for certain test sets where the space of molecular structures is predetermined.

25 ENERGY STORAGE↗

DOE OSTI2023

An Assessment of Machine Learning Applied to Ultrasonic Nondestructive Evaluation

In the United States, the nuclear industry performs inservice inspection (ISI) through nondestructive examination (NDE) methods in accordance with guidelines specified in the American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code (BPVC), Section XI, Rules for Inservice Inspection of Nuclear Power Plant Components. Ultrasonic nondestructive testing and evaluation (NDT&E) is one of the more commonly used techniques for inspecting Class 1 structural components in nuclear power systems. As the number of qualified NDE inspectors declines, the nuclear industry is looking to take advantage of advances in automation to enhance inspection capabilities. Advances in computational power, cloud-based computing, and machine learning algorithms make automated data analysis possible. Machine learning (ML) has shown huge potential in automated data analyses for ultrasonic NDE in the context of weld inspections.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1989

Use of anomolous thermal imaging effects for multi-mode systems control during crystal growth

Real time image processing techniques, combined with multitasking computational capabilities are used to establish thermal imaging as a multimode sensor for systems control during crystal growth. Whereas certain regions of the high temperature scene are presently unusable for quantitative determination of temperature, the anomalous information thus obtained is found to serve as a potentially low noise source of other important systems control output. Using this approach, the light emission/reflection characteristics of the crystal, meniscus and melt system are used to infer the crystal diameter and a linear regression algorithm is employed to determine the local diameter trend. This data is utilized as input for closed loop control of crystal shape. No performance penalty in thermal imaging speed is paid for this added functionality. Approach to secondary (diameter) sensor design and systems control structure is discussed. Preliminary experimental results are presented.

Wargo, Michael J.↗