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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

Acoustic Energy Release During the Laboratory Seismic Cycle: Insights on Laboratory Earthquake Precursors and Prediction

Abstract Machine learning can predict the timing and magnitude of laboratory earthquakes using statistics of acoustic emissions. The evolution of acoustic energy is critical for lab earthquake prediction; however, the connections between acoustic energy and fault zone processes leading to failure are poorly understood. Here, we document in detail the temporal evolution of acoustic energy during the laboratory seismic cycle. We report on friction experiments for a range of shearing velocities, normal stresses, and granular particle sizes. Acoustic emission data are recorded continuously throughout shear using broadband piezo‐ceramic sensors. The coseismic acoustic energy release scales directly with stress drop and is consistent with concepts of frictional contact mechanics and time‐dependent fault healing. Experiments conducted with larger grains (10.5 μm) show that the temporal evolution of acoustic energy scales directly with fault slip rate. In particular, the acoustic energy is low when the fault is locked and increases to a maximum during coseismic failure. Data from traditional slide‐hold‐slide friction tests confirm that acoustic energy release is closely linked to fault slip rate. Furthermore, variations in the true contact area of fault zone particles play a key role in the generation of acoustic energy. Our data show that acoustic radiation is related primarily to breaking/sliding of frictional contact junctions, which suggests that machine learning‐based laboratory earthquake prediction derives from frictional weakening processes that begin very early in the seismic cycle and well before macroscopic failure.

58 GEOSCIENCES↗

In Situ Inference for Earth System Predictability

An understanding of future evolution in precipitation extremes is critical to numerous DOE mission questions. Extreme events are by nature short time-scale events that are difficult to diagnose in available model data. Accurate modeling of extreme events necessarily requires high spatial resolution at the storm scale locally. However, the environment in which storms grow is dependent on global, remote, processes. These complex spatiotemporal relationships are impossible to diagnose at resolutions required to accurately model storms responsible for extreme precipitation. At exascale, climate simulations will produce results at fine enough resolution to investigate these relationships. However, the resulting data from these simulations will be far too large to save for post-simulation analysis. We advocate for fitting statistical models inside the simulations as they run, a context known as in situ, which will facilitate scientific investigations using the full fine-scale data stream. Figure 1 shows an example of the type of model we could consider, a Bayesian hierarchical spatial regression model. Precipitation extremes at each grid cell are modeled using extreme value distributions. Since extremes are rare, fitting models to individual grid cells can result in high variance and poor estimates. Instead, the model can be made more robust by smoothing the parameters of the extreme value model across space. Additionally, the parameters themselves can be functionally linked to other variables elsewhere in the simulation. Thus, we can use the fine-scale data to build more robust models for extremes that link extreme behavior to other climate patterns.

54 ENVIRONMENTAL SCIENCES↗

In Situ Inference for Earth System Predictability

Focal Area: Focal Area 3: Insight gleaned from complex simulated data using AI, big data analytics, and other advanced methods, including explainable AI and physics- or knowledge-guided AI. Science Challenge: An understanding of future evolution in precipitation extremes is critical to numerous DOE mission questions. Extreme events are by nature short time-scale events that are difficult to diagnose in available model data. Accurate modeling of extreme events necessarily requires high spatial resolution at the storm scale locally. However, the environment in which storms grow is dependent on global, remote, processes. These complex spatiotemporal relationships are impossible to diagnose at resolutions required to accurately model storms responsible for extreme precipitation. At exascale, climate simulations will produce results at fine enough resolution to investigate these relationships. However, the resulting data from these simulations will be far too large to save for post-simulation analysis. We advocate for fitting statistical models inside the simulations as they run, a context known as in situ, which will facilitate scientific investigations using the full fine-scale data stream. Figure 1 shows an example of the type of model we could consider, a Bayesian hierarchical spatial regression model. Precipitation extremes at each grid cell are modeled using extreme value distributions. Since extremes are rare, fitting models to individual grid cells can result in high variance and poor estimates. Instead, the model can be made more robust by smoothing the parameters of the extreme value model across space. Additionally, the parameters themselves can be functionally linked to other variables elsewhere in the simulation. Thus, we can use the fine-scale data to build more robust models for extremes that link extreme behavior to other climate patterns.

54 ENVIRONMENTAL SCIENCES↗

Knowledge catalysts

A computer implemented method integrates data from remote disparate data sources by processing a non-transitory media. The non-transitory media stores instructions for detecting data sets in different formats hosted in a plurality of heterogeneous databases that are accessible through a distributed network. The method extracts schema data from the plurality of heterogeneous databases and identifies related fields in two or more of the heterogeneous databases. The method links the related fields in the two or more of the plurality of heterogeneous databases and makes the data accessible through a virtual warehouse. As schemas change, as new data sources and analysis artifacts are created, the computer implemented method and system can act as a meta-data store, a provenance tracking device, and/or a knowledge management service.

97 MATHEMATICS AND COMPUTING↗

A GATE evaluation of the sources of error in quantitative {sup 90}Y PET

Purpose: Accurate reconstruction of the dose delivered by {sup 90}Y microspheres using a postembolization PET scan would permit the establishment of more accurate dose–response relationships for treatment of hepatocellular carcinoma with {sup 90}Y. However, the quality of the PET data obtained is compromised by several factors, including poor count statistics and a very high random fraction. This work uses Monte Carlo simulations to investigate what impact factors other than low count statistics have on the quantification of {sup 90}Y PET. Methods: PET acquisitions of two phantoms—a NEMA PET phantom and the NEMA IEC PET body phantom-containing either {sup 90}Y or {sup 18}F were simulated using GATE. Simulated projections were created with subsets of the simulation data allowing the contributions of random, scatter, and LSO background to be independently evaluated. The simulated projections were reconstructed using the commercial software for the simulated scanner, and the quantitative accuracy of the reconstruction and the contrast recovery of the reconstructed images were evaluated. Results: The quantitative accuracy of the {sup 90}Y reconstructions were not strongly influenced by the high random fraction present in the projection data, and the activity concentration was recovered to within 5% of the known value. The contrast recovery measured for simulated {sup 90}Y data was slightly poorer than that for simulated {sup 18}F data with similar count statistics. However, the degradation was not strongly linked to any particular factor. Using a more restricted energy range to reduce the random fraction in the projections had no significant effect. Conclusions: Simulations of {sup 90}Y PET confirm that quantitative {sup 90}Y is achievable with the same approach as that used for {sup 18}F, and that there is likely very little margin for improvement by attempting to model aspects unique to {sup 90}Y, such as the much higher random fraction or the presence of bremsstrahlung in the singles data.

61 RADIATION PROTECTION AND DOSIMETRY↗

Wireless link and microelectronics design for retinal prostheses

This project focuses on delivering power and data to the artificial retinal implant inside the eye and the implant microstimulator electronics which delivers the current pulses to stimulate the retinal layer to elicit visual perception. Since the use of invasive means such as tethering wires to transmit power and data results in discomfort to the patients which could eventually cause infection due to the abrasion caused by the wire and contact of the internals of the eye to the external environment, a completely wireless approach is used to transfer both power and data. Power is required inside the eye for the microelectronic implant which uses a dual voltage supply scheme (positive and negative) to deliver biphasic (anodic and cathodic) current pulses. Data in the form of digital bits from the data transmitter external to the eye, carries information about the amplitude, phase width, interphase delay, stimulation sequence for each implant electrode. The data receiver unit decodes the digital stream and the microstimulator unit generates the appropriate current stimuli. Since the external unit consisting of the power transmitter can experience coupling a variation with the power receiver due to the patient’s movements, a closed loop approach is used which varies the transmitted power dynamically to automatically compensate for such movements. This report presents the salient features of this research activities and results.

42 ENGINEERING↗

A fussy revisitation of antiprotons as a tool for Dark Matter searches

Antiprotons are regarded as a powerful probe for Dark Matter (DM) indirect detection and indeed current data from PAMELA have been shown to lead to stringent constraints. However, in order to exploit their constraining/discovery power properly and especially in anticipation of the exquisite accuracy of upcoming data from AMS-02, great attention must be put into effects (linked to their propagation in the Galaxy) which may be perceived as subleading but actually prove to be quite relevant. Using a semi-analytic code for rapidity, we revisit the computation of the astrophysical background and of the DM antiproton fluxes. Like in the fully numerical standard calculations, we include the effects of: diffusive reacceleration, energy losses including tertiary component and solar modulation (in a force field approximation). We show that their inclusion can somewhat modify the current bounds, even at large DM masses, and that a wrong interpretation of the data may arise if they are not taken into account. At the present level of accuracy of the data from PAMELA, the inclusion of the above effects amounts to changing the constraints, with respect to the case in which they are neglected, of up to about 40% at a DM mass of 1 TeV and 30% at 10 TeV . When the AMS-02 level of precision is reached, including them would strengthen (lessen) the bounds on the annihilation cross section by up to a factor of 15 below (above) a DM mass of 300 GeV. The numerical results for the astrophysical background are provided in terms of fit functions; the results for Dark Matter are incorporated in the new release of the PPPC4DMID.

79 ASTRONOMY AND ASTROPHYSICS↗

Exploring the link between C iv outflow kinematics and sublimation-temperature dust in quasars

ABSTRACT Using data from SDSS, UKIDSS, and WISE, we investigate the properties of the high-frequency cutoff to the infrared emission in ≃5000 carefully selected luminous (Lbol ∼ 1047) type 1 quasars. The strength of ≃2 μm emission, corresponding to emission from the hottest ($T\gt 1200\rm \, K$) dust in the sublimation zone surrounding the central continuum source, is observed to correlate with the blueshift of the C iv λ1550 emission line. We therefore find that objects with stronger signatures of nuclear outflows tend to have a larger covering fraction of sublimation-temperature dust. When controlling for the observed outflow strength, the hot dust covering fraction does not vary significantly across our sample as a function of luminosity, black hole mass, or Eddington fraction. The correlation between the hot dust and the C iv line blueshifts, together with the lack of correlation between the hot dust and other parameters, therefore provides evidence of a link between the properties of the broad emission line region and the infrared-emitting dusty regions in quasars.

Temple, Matthew J.↗

Phases and interfaces from real space atomically resolved data: Physics-based deep data image analysis

Advances in electron and scanning probe microscopies have led to a wealth of atomically resolved structural and electronic data, often with ~1–10 pm precision. However, knowledge generation from such data requires the development of a physics-based robust framework to link the observed structures to macroscopic chemical and physical descriptors, including single phase regions, order parameter fields, interfaces, and structural and topological defects. Here, we develop an approach based on a synergy of sliding window Fourier transform to capture the local analog of traditional structure factors combined with blind linear unmixing of the resultant 4D data set. This deep data analysis is ideally matched to the underlying physics of the problem and allows reconstruction of the a priori unknown structure factors of individual components and their spatial localization. We demonstrate the principles of this approach using a synthetic data set and further apply it for extracting chemical and physically relevant information from electron and scanning tunneling microscopy data. Furthermore, this method promises to dramatically speed up crystallographic analysis in atomically resolved data, paving the road toward automatic local structure–property determinations in crystalline and quasi-ordered systems, as well as systems with competing structural and electronic order parameters.

36 MATERIALS SCIENCE↗

WHONDRS Summer 2019 Sampling Campaign: Global River Corridor Surface Water FTICR-MS, NPOC, TN, Anions, Stable Isotopes, Bacterial Abundance, and Dissolved Inorganic Carbon (v8)

The WHONDRS Summer 2019 Sampling (S19S) Campaign collected samples in 97 globally distributed river corridor systems between July and September 2019. Surficial streambed sediments were collected at three locations within each site (upstream, midstream, and downstream). Surface water was collected at the downstream site. This dataset includes a portion of the data types produced from the surface water samples and does not include any results from the sediment. Sediment data can be found at https://data.ess-dive.lbl.gov/view/doi:10.15485/1729719. The S19S campaign was designed with the science community to ask questions associated with links among core/transient metabolomes, microbial metabolism, biogeochemical function, and physical properties of watershed and river corridor systems. This data package was originally published in March 2020. It was updated in October 2020 (v2, new and modified files), July 2021 (v3, new and modified files), January 2023 (v4, new and modified files), February 2023 (v5, new and modified files), August 2023 (v6, new and modified files), July 2025 (v7,new and modified files), and August 2026 (v8, new and modified files). Version 8 includes major restructuring of the files and their formats. See the change history section in readme for more details. In addition to a readme, this data package also includes a file-level metadata (FLMD) file that describes each file and a data dictionary (DD) that describes all column/row headers and variable definitions. This dataset contains (1) readme, (2) data dictionary, (3) file level metadata, (4) sampling protocol, (5) a data checks report, (6) field metadata, (7) international generic sample number (IGSN) mapping file, (8) joint genome institute (JGI) mapping file, and (9) a folder of sample data. The sample data folder contains (1) dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC) and FTICR methods, (2) dissolved inorganic carbon (DIC), (3) stable water isotopes (O and H), (4) specific conductivity, (5) total dissolved nitrogen (TN), (6) anions, (7) flow cytometry bacterial abundance data, (8) laboratory methods, and (9) a folder containing unaligned, peak-picked high resolution characterization of dissolved organic matter from sediment via 12 Tesla Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) through the Environmental Molecular Sciences Laboratory (EMSL, https://www.pnnl.gov/environmental-molecular-sciences-laboratory), and (12) a folder containing processed FTICR-MS data. All files are .msa, .txt, .spx, .xml, .csv, .pdf, .txt, .html, .jpg, or .jpeg.

18-O↗

WHONDRS Summer 2019 Sampling Campaign: Global River Corridor Sediment FTICR-MS, Dissolved Organic Carbon, Aerobic Respiration, Elemental Composition, Grain Size, Total Nitrogen and Organic Carbon Content, Bacterial Abundance, and Stable Isotopes (v10)

The WHONDRS Summer 2019 Sampling (S19S) Campaign collected samples in 97 globally distributed river corridor systems between July and September 2019. Surficial streambed sediments were collected at three locations within each site (upstream, midstream, and downstream). Surface water was collected at the downstream site. This dataset includes a portion of the data types produced from the sediment samples and does not include any results from the surface water. Surface water data can be found at https://data.ess-dive.lbl.gov/view/doi:10.15485/1603775. The S19S campaign was designed with the science community to ask questions associated with links among core/transient metabolomes, microbial metabolism, biogeochemical function, and physical properties of watershed and river corridor systems. This data package was originally published in December 2020. It was updated in April 2021 (v2; modified files), May 2022 (v3; new and modified files), November 2022 (v4; new and modified files), January 2023 (v5 and v6; new and modified files), February 2023 (v7; new and modified files), August 2023 (v8; new and modified files), July 2025 (v9; new and modified files), and June 2026 (v10; new and modified files). Version 10 includes major restructuring of the files and their formats. See the change history in the readme for details. In addition to a readme, this data package also includes a file-level metadata (FLMD) file that describes each file and a data dictionary (DD) that describes all column/row headers and variable definitions. This dataset contains (1) readme, (2) data dictionary, (3) file level metadata, (4) sampling protocol, (5) a data checks report, (6) field metadata, (7) international generic sample number (IGSN) mapping file, (8) joint genome institute (JGI) mapping file, (9) a folder of site photos, and (10) a folder of sample data. The sample data folder contains (1) dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC) and FTICR methods; (2) respiration rates and normalized respiration rates calculated from laboratory sediment incubations, (3) X-ray fluorescence (XRF) elemental composition, (4) grain size distribution from the < 2 millimeter fraction of sediment, (5) total organic carbon and total nitrogen content, (6) bacterial abundance flow cytometry data, (7) sediment stable isotopes (C and N), (8) laboratory methods, (9) water and sediment mass and volume used in incubations, (10) a folder with code, inputs, and plots for the respiration rates, (11) a folder containing XRF data, (12) a folder containing unaligned, peak-picked high resolution characterization of dissolved organic matter from sediment via 12 Tesla Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) through the Environmental Molecular Sciences Laboratory (EMSL; https://www.pnnl.gov/environmental-molecular-sciences-laboratory), (12) and a folder containing processed FTICR-MS data. All files are .msa, .txt, .spx, .xml, .csv, .pdf, .txt, .jpg, or .jpeg.

13C↗

LCLS Big Data Handling – How I Learned to Stop Worrying and Love the Data Deluge

Advanced data and computing systems are vital to Linac Coherent Light Source (LCLS) operations, data interpretation and overall scientific productivity. The transition to MHz-era operation marks a fundamental change in scale that requires new infrastructure and architectures to link LCLS to the required scale of computing needed for scientific interpretation. The LCLS-II Data System meets big data challenges by implementing configurable data reduction that can adapt to multiple science areas, real-time analysis frameworks to provide visualization and fast feedback, and the ability to transfer data to local and remote computational facilities for near real time analysis at the appropriate scale. Feature extracted information generated in the data analysis pipeline - at the edge, local compute, or remote High-Performance Computing (HPC) resources - can be used to steer experiments and inform user decisions during beam time. Artificial Intelligence and Machine Learning (AI/ML) techniques present new opportunities to rapidly analyse large datasets and direct experiments, but create new challenges in scaling, adaptability, complexity, and trustworthiness. We describe how the LCLS-II Data System architecture addresses its data-driven challenges in the areas of data acquisition, data processing, data management, and workflow orchestration to decrease the overall time-to-science and provide a vision for future developments.

artificial intelligence↗

Millimeter-wave home area network prospect with cost-effective RoF links

The growth towards the millimeter-wave band in the home area networks (HAN) leads to high data rate transmission to satisfy the new user services. Unfortunately, the transmission coverage in this band is limited to short distances because of the strong air absorption and obstacles such as walls. The effort is then focused on the extension of the network coverage of the wireless link in this band. Solutions based on multiple connected access points to optical fibers are useful methods to ensure wireless connectivity to the entire home. For HAN applications, radio-over-fiber (RoF) using intensity modulation and direct detection technique is the mostly favorite technology for the transmission of a broadband wireless signal because dealing with a cost-effective solution. We investigate in this paper the performance of such RoF-wireless architecture with low-cost optoelectronic modules through the error vector magnitude (EVM) metric. The RoF links investigated are a directly modulated VCSEL with integrated photoreceiver module, an electroabsorption-modulated laser with PIN photodiode and a Mach–Zehnder Modulator with PIN photodiode. A simulation approach based on equivalent electrical circuit models of photonic components is developed in ADS (Advanced Design System) by using a co-simulation technique that combines both analog and digital signals. The downlink channel of the complete transmission system including wireless channel and frequency conversion circuits to millimeter-wave (mm-wave) band is studied by simulation. The obtained results of EVM show good performances of cost-effective links with QPSK and 16-QAM modulation over a dynamic range of 15 dB.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

PlantFAdb: a resource for exploring hundreds of plant fatty acid structures synthesized by thousands of plants and their phylogenetic relationships

Over 450 structurally distinct fatty acids are synthesized by plants. We have developed PlantFAdb.org, an internet-based database that allows users to search and display fatty acid composition data for over 9000 plants. PlantFAdb includes more than 17 000 data tables from >3000 publications and hundreds of unpublished analyses. This unique feature allows users to easily explore chemotaxonomic relationships between fatty acid structures and plant species by displaying these relationships on dynamic phylogenetic trees. Users can navigate between order, family, genus and species by clicking on nodes in the tree. The weight percentage of a selected fatty acid is indicated on phylogenetic trees and clicking in the graph leads to underlying data tables and publications. The display of chemotaxonomy allows users to quickly explore the diversity of plant species that produce each fatty acid and that can provide insights into the evolution of biosynthetic pathways. Fatty acid compositions and other parameters from each plant species have also been compiled from multiple publications on a single page in graphical form. Links provide simple and intuitive navigation between fatty acid structures, plant species, data tables and the publications that underlie the datasets. In addition to providing an introduction to this resource, this report illustrates examples of insights that can be derived from PlantFAdb. Based on the number of plant families and orders that have not yet been surveyed we estimate that a large number of novel fatty acid structures are still to be discovered in plants.

59 BASIC BIOLOGICAL SCIENCES↗

The Role of Mass Spectrometry in Structural Studies of Flavin-Based Electron Bifurcating Enzymes

For decades, biologists and biochemists have taken advantage of atomic resolution structural models of proteins from X-ray crystallography, nuclear magnetic resonance spectroscopy, and more recently cryo-electron microscopy. However, not all proteins relent to structural analyses using these approaches, and as the depth of knowledge increases, additional data elucidating a mechanistic understanding of protein function is desired. Flavin-based electron bifurcating enzymes, which are responsible for producing high energy compounds through the simultaneous endergonic and exergonic reduction of two intercellular electron carriers (i.e., NAD + and ferredoxin) are one class of proteins that have challenged structural biologists and in which there is great interest to understand the mechanism behind electron gating. A limited number of X-ray crystallography projects have been successful; however, it is clear that to understand how these enzymes function, techniques that can reveal detailed in solution information about protein structure, dynamics, and interactions involved in the bifurcating reaction are needed. In this review, we cover a general set of mass spectrometry-based techniques that, combined with protein modeling, are capable of providing information on both protein structure and dynamics. Techniques discussed include surface labeling, covalent cross-linking, native mass spectrometry, and hydrogen/deuterium exchange. We cover how biophysical data can be used to validate computationally generated protein models and develop mechanistic explanations for regulation and performance of enzymes and protein complexes. Our focus will be on flavin-based electron bifurcating enzymes, but the broad applicability of the techniques will be showcased.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Comment on “Atomic mass compilation 2012” by B. Pfeiffer, K. Venkataramaniah, U. Czok, C. Scheidenberger

In order to avoid errors and confusion that may arise from the recent publication of a paper entitled “Atomic Mass Compilation 2012”, we explain the important difference between a compilation and an evaluation; the former is a necessary but insufficient condition for the latter. The simple list of averaged mass values offered by the “Atomic Mass Compilation” uses none of the numerous links and correlations present in the large body of input data that are carefully maintained within the “Atomic Mass Evaluation”. As such, the mere compilation can only produce results of inferior accuracy. Illustrative examples are given.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗