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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 199 records · Page 11

Providing structural modules with self-integrity monitoring

With the advent of complex space structures (i.e., U.S. Space Station), the need for methods for remotely detecting structural damage will become greater. Some of these structures will have hundreds of individual structural elements (i.e., strut members). Should some of them become damaged, it could be virtually impossible to detect it using visual or similar inspection techniques. The damage of only a few individual members may or may not be a serious problem. However, should a significant number of the members be damaged, a significant problem could be created. The implementation of an appropriate remote damage detection scheme would greatly reduce the likelihood of a serious problem related to structural damage ever occurring. This report presents the results of the research conducted on remote structural damage detection approaches and the related mathematical algorithms. The research was conducted for the Small Business Innovation and Research (SBIR) Phase 2 National Aeronautics and Space Administration (NASA) Contract NAS7-961.

Walton, W. B.↗

Natural Language Processing for Text Based Event Extraction: Identifying Events of Interest Related to Worldwide State-Sponsored Civil Nuclear Power

Beginning in FY20, SRNL was funded by the National Nuclear Security Administration’s Office of Defense Nuclear Non-Proliferation Research and Development to develop a prototype natural language processing/natural language understating machine learning-based modeling and analysis pipeline to extract and forecast events of interest from massive open data sources. The working hypothesis within the approach is that contextual shifts in key words and phrases act as indicators of events of interest over time. Therefore, by identifying points in time where contextual shifts occur, events of interest can be extracted along with explicit and implicit connections of entities and activities. The development of the preliminary prototype pipeline proved successful, meriting further testing of the pipeline on more broad topical domains and in a worldwide data environment. Therefore, SRNL, in collaboration with the Sanghani Center for Artificial Intelligence and Data Analytics at Virginia Tech, have continued development with a test case of identifying events of interest related to worldwide state-sponsored civil nuclear power in open data sources. In the first year of this follow-on effort, the team has curated domain-specific data corpuses using an automated scheme and applied the modeling and analysis pipeline. This robust, focused, and efficient approach consists of an ensemble of analyses applied to time dependent word embedding models that are trained on the data corpuses. In this report, the team has demonstrated the capability of the existing pipeline (as development has continued in parallel) by exploring several specific case-studies centered around Rosatom’s international activities regarding the planning, construction, operation, and/or shutdown of nuclear reactors. A basic timeline events has been generated by manually cataloging known “milestone” events that have occurred at reactors in Turkey, Finland, Hungary, and Egypt and compared with the output of the modeling pipeline. In this approach, the team has characterized the lead time using the prototype pipeline, as well as the ability to capture relevant information, which proved 100% successful. A deep dive example of the Akkuyu reactor (Turkey) is presented that shows the breadth of information that can be captured using the approach. In this case study, events were extracted pertaining to the planning/construction of Akkuyu including protests from the population, information campaigns in response to the protests, forged regulatory documents and lawsuits, budgetary/shareholder information, geopolitical tensions, and the various construction milestones. This has demonstrated the pipeline’s utility as a research aid or real-time event extraction tool, where summary-level information and detailed text extractions from millions of articles or Tweets across long time periods can be generated with significantly less effort than current techniques.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Review of Multi-Agent Algorithms for Collective Behavior: a Structural Taxonomy

In this paper, we review multi-agent collective behavior algorithms in the literature and classify them according to their underlying mathematical structure. For each mathematical technique, we identify the multi-agent coordination tasks it can be applied to, and we analyze its scalability, bandwidth use, and demonstrated maturity. We highlight how versatile techniques such as artificial potential functions can be used for applications ranging from low-level position control to high-level coordination and task allocation, we discuss possible reasons for the slow adoption of complex distributed coordination algorithms in the field, and we highlight areas for further research and development.

Pavone, Marco↗

Materials characterization: Can artificial intelligence be used to address reproducibility challenges?

Material characterization techniques are widely used to characterize the physical and chemical properties of materials at the nanoscale and, thus, play central roles in material scientific discoveries. However, the large and complex datasets generated by these techniques often require significant human effort to interpret and extract meaningful physicochemical insights. Artificial intelligence (AI) techniques such as machine learning (ML) have the potential to improve the efficiency and accuracy of surface analysis by automating data analysis and interpretation. In this perspective paper, we review the current role of AI in surface analysis and discuss its future potential to accelerate discoveries in surface science, materials science, and interface science. We highlight several applications where AI has already been used to analyze surface analysis data, including the identification of crystal structures from XRD data, analysis of XPS spectra for surface composition, and the interpretation of TEM and SEM images for particle morphology and size. We also discuss the challenges and opportunities associated with the integration of AI into surface analysis workflows. These include the need for large and diverse datasets for training ML models, the importance of feature selection and representation, and the potential for ML to enable new insights and discoveries by identifying patterns and relationships in complex datasets. Most importantly, AI analyzed data must not just find the best mathematical description of the data, but it must find the most physical and chemically meaningful results. In addition, the need for reproducibility in scientific research has become increasingly important in recent years. The advancement of AI, including both conventional and the increasing popular deep learning, is showing promise in addressing those challenges by enabling the execution and verification of scientific progress. By training models on large experimental datasets and providing automated analysis and data interpretation, AI can help to ensure that scientific results are reproducible and reliable. Although integration of knowledge and AI models must be considered for the transparency and interpretability of models, the incorporation of AI into the data collection and processing workflow will significantly enhance the efficiency and accuracy of various surface analysis techniques and deepen our understanding at an accelerated pace.

Materials Science↗

ZMPY3D: accelerating protein structure volume analysis through vectorized 3D Zernike moments and Python-based GPU integration

Abstract Motivation Volumetric 3D object analyses are being applied in research fields such as structural bioinformatics, biophysics, and structural biology, with potential integration of artificial intelligence/machine learning (AI/ML) techniques. One such method, 3D Zernike moments, has proven valuable in analyzing protein structures (e.g., protein fold classification, protein–protein interaction analysis, and molecular dynamics simulations). Their compactness and efficiency make them amenable to large-scale analyses. Established methods for deriving 3D Zernike moments, however, can be inefficient, particularly when higher order terms are required, hindering broader applications. As the volume of experimental and computationally-predicted protein structure information continues to increase, structural biology has become a “big data” science requiring more efficient analysis tools. Results This application note presents a Python-based software package, ZMPY3D, to accelerate computation of 3D Zernike moments by vectorizing the mathematical formulae and using graphical processing units (GPUs). The package offers popular GPU-supported libraries such as CuPy and TensorFlow together with NumPy implementations, aiming to improve computational efficiency, adaptability, and flexibility in future algorithm development. The ZMPY3D package can be installed via PyPI, and the source code is available from GitHub. Volumetric-based protein 3D structural similarity scores and transform matrix of superposition functionalities have both been implemented, creating a powerful computational tool that will allow the research community to amalgamate 3D Zernike moments with existing AI/ML tools, to advance research and education in protein structure bioinformatics. Availability and implementation ZMPY3D, implemented in Python, is available on GitHub (https://github.com/tawssie/ZMPY3D) and PyPI, released under the GPL License.

Lai, Jhih-Siang (ORCID:0000000156775890)↗

Vibrational Signatures of Electronic Properties in Renewable-Energy Catalysis

The objective of this research program is to discover and develop new approaches for ab initio computational simulations of molecular motion. Specifically, this program aims to decipher the connection between the underlying electronic structure and the accordant molecular vibrations in reactive ions and radicals for renewable-energy purposes. Recent experimental progress in ion sources and optical spectroscopies has unearthed considerable new inner-sphere detail for these complexes, but the connection between these spectral signatures and mechanistic information often remains elusive, to the continued frustration of experimentalists. For this purpose, new anharmonic vibrational frequency methods, along with a publicly deployed software package, will be developed. Working closely with committed experimental collaborators, this conceptual and computational framework will be used to explain the results of new spectroscopy experiments, focusing specifically on the inner-shell mechanisms of renewable-energy catalysis. The oxidation half of catalytic water-splitting chemistry will be a central focus, along with fundamental studies of the manner in which strong ions and radicals activate solvent as a chemical species. The resulting products of the research program will include openly available software and algorithms for the ab initio simulation of challenging vibrational spectra, as well as critical mechanistic insight into energy-focused catalytic processes that are opaque to other existing analytical techniques.

42 ENGINEERING↗

Software Reliability 2002

In FY01 we learned that hardware reliability models need substantial changes to account for differences in software, thus making software reliability measurements more effective, accurate, and easier to apply. These reliability models are generally based on familiar distributions or parametric methods. An obvious question is 'What new statistical and probability models can be developed using non-parametric and distribution-free methods instead of the traditional parametric method?" Two approaches to software reliability engineering appear somewhat promising. The first study, begin in FY01, is based in hardware reliability, a very well established science that has many aspects that can be applied to software. This research effort has investigated mathematical aspects of hardware reliability and has identified those applicable to software. Currently the research effort is applying and testing these approaches to software reliability measurement, These parametric models require much project data that may be difficult to apply and interpret. Projects at GSFC are often complex in both technology and schedules. Assessing and estimating reliability of the final system is extremely difficult when various subsystems are tested and completed long before others. Parametric and distribution free techniques may offer a new and accurate way of modeling failure time and other project data to provide earlier and more accurate estimates of system reliability.

Wallace, Dolores R.↗

Materials and construction techniques for cryogenic wind tunnel facilities for instruction/research use

The results of the cryogenic wind tunnel program conducted at NASA Langley Research Center are presented to provide a starting point for the design of an instructional/research wind tunnel facility. The advantages of the cryogenic concept are discussed, and operating envelopes for a representative facility are presented to indicate the range and mode of operation. Special attention is given to the design, construction and materials problems peculiar to cryogenic wind tunnels. The control system for operation of a cryogenic tunnel is considered, and a portion of a linearized mathematical model is developed for determining the tunnel dynamic characteristics.

Morse, S. F.↗

You Can't Get There From Here! Problems and Potential Solutions in Developing New Classes of Complex Systems

The explosion of capabilities and new products within the sphere of Information Technology (IT) has fostered widespread, overly optimistic opinions regarding the industry, based on common but unjustified assumptions of quality and correctness of software. These assumptions are encouraged by software producers and vendors, who at this late date have not succeeded in finding a way to overcome the lack of an automated, mathematically sound way to develop correct systems from requirements. NASA faces this dilemma as it envisages advanced mission concepts that involve large swarms of small spacecraft that will engage cooperatively to acheve science goals. Such missions entail levels of complexity that beg for new methods for system development far beyond today's methods, which are inadequate for ensuring correct behavior of large numbers of interacting intelligent mission elements. New system development techniques recently devised through NASA-led research will offer some innovative approaches to achieving correctness in complex system development, including autonomous swarm missions that exhibit emergent behavior, as well as general software products created by the computing industry.

Hinchey, Michael G.↗

An approach to characterizing spatial aspects of image system blur

Quantitative X-ray radiographic imaging systems that utilize a charged couple device (CCD) camera connected to a thick, monolithic scintillator can exhibit blur that varies spatially across the field of view, especially for thick scintillators used in pulse-power radiography of dynamically compressed objects. Here, a three-point approach to estimating and accounting for this effect is demonstrated by (a) using a local estimation technique to measure the effect of blurring a calibration object at key locations across the field of view, (b) combining each of the local estimates into a spatially varying blurring function via partitions of unity interpolation, and (c) resolving the effects of that blur on the image by solving an ill-posed inverse problem using a spatially varying regularization term. The technique is demonstrated on synthetic examples and actual radiographs collected at the Naval Research Laboratory’s (NRL)Mercury pulsed power facility.

97 MATHEMATICS AND COMPUTING↗

Data reduction of digitized images processed from calibrated photographic and spectroscopic films obtained from terrestial, rocket and space shuttle telescopic instruments

The Microvax 2 computer, the basic software in VMS, and the Mitsubishi High Speed Disk were received and installed. The digital scanning tunneling microscope is fully installed and operational. A new technique was developed for pseudocolor analysis of the line plot images of a scanning tunneling microscope. Computer studies and mathematical modeling of the empirical data associated with many of the film calibration studies were presented. A gas can follow-up experiment which will be launched in September, on the Space Shuttle STS-50, was prepared and loaded. Papers were presented on the structure of the human hair strand using scanning electron microscopy and x ray analysis and updated research on the annual rings produced by the surf clam of the ocean estuaries of Maryland. Scanning electron microscopic work was conducted by the research team for the study of the Mossbauer and Magnetic Susceptibility Studies on NmNi(4.25)Fe(.85) and its Hydride.

Hammond, Ernest C., Jr.↗

Neutral ion sources in precision manufacturing

Ion figuring of optical components is a relatively new technology that can alleviate some of the problems associated with traditional contact polishing. Because the technique is non contacting, edge distortions and rib structure print through do not occur. This initial investigation was aimed at determining the effect of ion figuring on surface roughness of previously polished or ductile ground ceramic optical samples. This is the first step in research directed toward the combination of a pre-finishing process (ductile grinding or polishing) with ion figuring to produce finished ceramic mirrors. The second phase of the project is focusing on the development of mathematical algorithms that will deconvolve the ion beam profile from the surface figure errors so that these errors can be successfully removed from the optical components. In the initial phase of the project, multiple, chemical vapor deposited silicon carbide (CVD SiC) samples were polished or ductile ground to specular or near-specular roughness. These samples were then characterized to determine topographic surface information. The surface evaluation consisted of stylus profilometry, interferometry, and optical and scanning electron microscopy. The surfaces, were ion machined to depths from 0-5 microns. The finished surfaces were characterized to evaluate the effects of the ion machining process with respect to the previous processing methods and the pre-existing subsurface damage. The development of the control algorithms for figuring optical components has been completed. These algorithms have been validated with simulations and future experiments have been planned to verify the methods. This paper will present the results of the initial surface finish experiments and the control algorithms simulations.

Fawcett, Steven C.↗

Recent Developments and Status of the Langley Single Vector Balance Calibration System (SVS)

The Langley Research Center (LaRC) Single Vector Balance Calibration System (SVS) was first introduced in 2000 by Peter Parker. The SVS combines the Design of Experiments (DOE) methodology with a novel load application system. Since that time three systems have been designed and developed with different load range capabilities (ranging from 2 pounds to 3,000 pounds). Approximately fifteen balances have been calibrated and their data compared to conventional techniques. This paper will present results of these comparisons, based on the mathematical models and accuracies, and discuss differences that were observed. In addition, changes in the implementation of the initial load schedules developed using DOE will be highlighted. One of the principles behind DOE is randomization. The initial loading schedules used to date have been randomized in the traditional DOE sense but not for repeat calibrations or experiments. Implementation of this randomization within blocks and its impact on data quality will be reviewed. Areas of potential future development will be presented which include changes in the centers to include loads with the force position system in the pure error estimates.

Jones, Shirley M.↗

Shape-shifting Elephants: Multi-modal Transport for Integrated Research Infrastructure

Data Acquisition (DAQ) workloads form an important class of scientific network traffic that by its nature (1) flows across different research infrastructure, including remote instruments and supercomputer clusters, (2) has ever-increasing throughput demands, and (3) has ever-increasing integration demands---for example, observations at one instrument could trigger a reconfiguration of another instrument. Today's DAQ transfers rely on UDP and (heavily tuned) TCP, but this is driven by convenience rather than suitability. The mismatch between Internet transport protocols and scientific workloads becomes more stark with the steady increase in link capacities, data generation, and integration across research infrastructure.This position paper argues the importance of developing specialized transport protocols for DAQ workloads. It proposes a new transport feature for this kind of elephant flow: multi-modality involves the network actively configuring the transport protocol to change how DAQ flows are processed across different underlying networks that connect scientific research infrastructure. Multi-modality is a layering violation that is proposed as a pragmatic technique for DAQ transport protocol design. It takes advantage of programmable network hardware that is increasingly being deployed in scientific research infrastructure. The paper presents an initial evaluation through a pilot study that includes a Tofino2 switch and Alveo FPGA cards, and using data from a particle detector.

97 MATHEMATICS AND COMPUTING↗

Monte Carlo techniques for solving transport problems

The Monte Carlo procedure is a model sampling technique. A model is established, and the behavior of sample units in this model is followed. A sufficient number of sample units are followed to obtain a statistical average or macroscopic quantities, which are the quantities of interest. This technique was used in crude form by Fermi in connection with the building of the first atomic pile. Later, Von Neumann and Ulam developed and used the Monte Carlo procedure extensively in developing the atomic bomb. Since then this technique has gained considerable use in nuclear reactor problems (refs. 1 and 2), and we at the Lewis Research Center have been extending it to thermal radiation (refs. 3 and 4), rarefied gas flows, and plasma flow problems (ref. 5). This technique, which requires a large number of sample histories to obtain solutions with small variances, is receiving greater use because of the development of the high-speed electronic computers.

SAMPLED DATA SYSTEM↗

Particle Engulfment and Pushing Micro-Gravity Experiments and Mathematical Modeling

The phenomenon of interaction of particles with solid-liquid interfaces that results in particle engulfment or pushing (PEP) has been Studied since mid 1960's. While the original interest stemmed from geology applications (frost heaving in soil), it was recognized early that understanding particle behavior at solidifying interfaces mi ht yield 9 practical benefits in other fields. In metallurgical applications the issue is the location of particles with respect to grain boundaries at the end of solidification. Considerable amount of experimental and theoretical research was lately focused on applications to metal matrix composites produced by casting; or spray forming techniques. Another application of PEP is in the growing of Y1Ba2CU3O7-delta(123) superconductor crystals from an undercooled liquid. The oxide melt contains Y2Ba1CU1O5 (211) precipitates, which act as flux pinning sites. The paper presents results of PEP micro-gravity research performed by the authors on two shuttle missions using metallic and polymeric materials. In addition. a discussion on the theoretical aspects of the physics of PEP is offered. Analytical and numerical models for planar solidification interfaces developed by the authors are used to explain the experimental results. Shortcomings of steady-state models are emphasized. A numerical model that includes the effect of the solutal field and of natural convection is introduced. A discussion of phenomena associated with dendritic solidification based on experimental observations is also offered. A mechanism of engulfment is proposed.

Stefanescu, Doru M.↗

Grid Cyber-Security Strategy in an Attacker-Defender Model

The progression of cyber-attacks on the cyber-physical system is analyzed by the Probabilistic, Learning Attacker, and Dynamic Defender (PLADD) model. Although our research does apply to all cyber-physical systems, we focus on power grid infrastructure. The PLADD model evaluates the effectiveness of moving target defense (MTD) techniques. We consider the power grid attack scenarios in the AND configurations and OR configurations. In addition, we consider, for the first time ever, power grid attack scenarios involving both AND configurations and OR configurations simultaneously. Cyber-security managers can use the strategy introduced in this manuscript to optimize their defense strategies. Specifically, our research provides insight into when to reset access controls (such as passwords, internet protocol addresses, and session keys), to minimize the probability of a successful attack. Our mathematical proof for the OR configuration of multiple PLADD games shows that it is best if all access controls are reset simultaneously. For the AND configuration, our mathematical proof shows that it is best (in terms of minimizing the attacker's average probability of success) that the resets are equally spaced apart. We introduce a novel concept called hierarchical parallel PLADD system to cover additional attack scenarios that require combinations of AND and OR configurations.

97 MATHEMATICS AND COMPUTING↗

Parametric Transformation Analysis

Because twisted coronal features are important proxies for predicting solar eruptive events, and, yet not clearly understood, we present new results to resolve the complex, non-potential magnetic field configurations of active regions. This research uses free-form deformation mathematics to generate the associated coronal magnetic field. We use a parametric representation of the magnetic field lines such that the field lines can be manipulated to match the structure of EUV and SXR coronal loops. The objective is to derive sigmoidal magnetic field solutions which allows the beta greater than 1 regions to be included, aligned and non-aligned electric currents to be calculated, and the Lorentz force to be determined. The advantage of our technique is that the solution is independent of the unknown upper and side boundary conditions, allows non-vanishing magnetic forces, and provides a global magnetic field solution, which contains high- and low-beta regimes and is consistent with all the coronal images of the region. We show that the mathematical description is unique and physical.

Gary, G. Allan↗