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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 145 records · Page 8

Structural features of 11 synthetic bacteriochlorins — comparisons with chlorins and porphyrins

As part of a program to develop the fundamental science of synthetic bacteriochlorins — analogues of Nature’s light-harvesting pigments in anoxygenic photosynthesis — 11 synthetic free base bacteriochlorins have been examined by single-crystal X-ray diffraction analysis. In each bacteriochlorin, each pyrroline ring contains a gem-dimethyl group to block adventitious (aerobic) dehydrogenation. The structural features of the bacteriochlorins (tetrahydroporphyrins) are compared with the less saturated counterparts, chlorins (dihydroporphyrins) and porphyrins. Only slight structural perturbation accrues due to the presence of the gem-dimethyl groups. Furthermore, the results presented herein may aid in understanding metal chelation processes and underpin the development of functional solid-state molecular assemblies.

X-ray diffraction↗

FTTN: Feature-Targeted Testing for Numerical Properties of NVIDIA & AMD Matrix Accelerators

FTTN is a test suite to evaluate the numerical behaviors of matrix accelerators of GPUs (NVIDIA Tensor Cores and AMD Matrix Cores) in a quick and simple setting. Matrix accelerators are heavily used in today's computationally intense applications to speed up matrix multiplications. This test suite provides a comprehensive study on the numerical behaviors of these accelerators, including support for subnormals, rounding modes, extra precision bits and FMA features. Is there

Laguna Peralta, Ignacio↗

Hybrid-BPR (Bayesian Personalized Ranking with Feature Embeddings and Explicit Negative Sampling) [SWR-26-039]

Hybrid-BPR is a Python library for Bayesian Personalized Ranking (BPR) with two key capabilities that go beyond standard BPR implementations: 1. User and item feature embeddings - incorporate content-based signals (genres, tags, metadata) alongside collaborative filtering. 2. Implicit negative interactions - use observed non-interactions (e.g. viewed-but-not-clicked) as negative training signal instead of random sampling from the full item space. The software is built for recommender systems research with MLflow experiment tracking, parallel hyperparameter sweeps, and standard ranking metrics.

Sandhu, Rimple [National Laboratory of the Rockies↗

Novel Results Visualization for Dynamic PSA and New Modeling Features in EMRALD

The Event Modeling Risk Assessment Linked Diagram (EMRALD) tool, developed at the Idaho National Laboratory (INL), was designed to simplify the creation of dynamic models and support various research projects. One of the primary goals of EMRALD was to provide visual methods for modeling. EMRALD consists of two main components: a web-based user interface for model development and a solve engine for running model simulations. Over time, it has evolved to meet the diverse needs of its users. Initially, EMRALD's results were simple text outputs with final key state percentages and uncertainty bounds. However, because EMRALD utilizes a three-phase discrete event simulation and tracks the paths of each simulation run leading to a key state, there is significant potential to analyze large sets of path results data, including state paths, events, and timing. Visualizing this data meaningfully posed a challenge. To address this, a novel time-based Sankey diagram was developed. EMRALD exports results data in a format that can be opened in this Sankey viewer, allowing users to visualize paths, occurrences, events, and probability data for the entire simulation run in a single diagram. Moreover, when EMRALD was first created, there were limited tools capable of meeting its graphical requirements, many of which are no longer supported. In 2024, a new web-based interface was developed using modern graphing tools, enabling additional modeling features. This paper discusses the new dynamic PSA results visualization capability and the enhanced modeling tools available in EMRALD.

97 - MATHEMATICS AND COMPUTING↗

Optical versus radiographic imaging and tomography: introduction to the ROADS feature issue

Optical imaging is an ancient branch of imaging dating back to thousands of years. Radiographic imaging and tomography (RadIT), including the first use of X-rays by Wilhelm Röntgen, and then, $γ$ -rays, energetic charged particles, neutrons, etc. are about 130 years young. The synergies between optical and radiographic imaging can be cast in the framework of these building blocks: Physics, Sources, Detectors, Methods, and Data Science, as described in Appl. Opt. 61, RDS1 (2022). Optical imaging has expanded to include three-dimensional (3D) tomography (including holography), due in to part the invention of optical (including infrared) lasers. RadIT are intrinsically 3D because of the penetrating power of ionizing radiation. Both optical imaging and tomography (OIT) and RadIT are evolving into even higher dimensional regimes, such as time-resolved tomography (4D) and temporarily and spectroscopically resolved tomography (4D + ). Further advances in OIT and RadIT will continue to be driven by desires for higher information yield, higher resolutions, and higher probability models with reduced uncertainties. Synergies in quantum physics, laser-driven sources, low-cost detectors, data-driven methods, automated processing of data, and artificially intelligent data acquisition protocols will be beneficial to both branches of imaging in many applications. These topics, along with an overview of the Radiography, Applied Optics, and Data Science virtual feature issue, are discussed here.

47 OTHER INSTRUMENTATION↗

Excitation-dependent features and artifacts in 2-D terahertz spectroscopy

Recently, two-dimensional terahertz spectroscopy (2DTS) has attracted increasing attention for studying complex solids. A number of recent studies have applied 2DTS either with long pulses or away from any material resonances, situations that yield unconventional 2DTS spectra that are often difficult to interpret. Here, we clarify the generic origins of observed spectral features by examining 2DTS spectra of ZnTe, a model system with a featureless optical susceptibility at low terahertz frequencies. These results also reveal possible artifacts that may arise from electro-optic sampling in collinear 2DTS experiments, including the observation of spurious rectified or second harmonic signals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Feature issue introduction: laser driven inertial confinement fusion and bridging the gaps to inertial fusion energy systems

Major fusion research milestones have been achieved using laser driven inertial confinement fusion (ICF) in recent years, and these successes have ignited tremendous enthusiasm for inertial fusion energy (IFE). However, the complexity and difficulty of obtaining fusion ignition with a laser driver in a research setting are often underappreciated, as are the gaps to high driver efficiency, high repetition rates, and laser and target durability requirements needs for IFE. On the academic side, several new research laser systems have been constructed over the past few years, enabling researchers to probe the limits of ICF physics and engineering. This feature issue highlights the challenges and capabilities of laser research and development targeted towards advancing IFE.

Physics - Plasma physics↗

Subsurface microbial community structure shifts along the geological features of the Central American Volcanic Arc

Subduction of the Cocos and Nazca oceanic plates beneath the Caribbean plate drives the upward movement of deep fluids enriched in carbon, nitrogen, sulfur, and iron along the Central American Volcanic Arc (CAVA). These compounds fuel diverse subsurface microbial communities that in turn alter the distribution, redox state, and isotopic composition of these compounds. Microbial community structure and functions vary according to deep fluid delivery across the arc, but less is known about how microbial communities differ along the axis of a convergent margin as geological features (e.g., extent of volcanism and subduction geometry) shift. Here, we investigate changes in bacterial 16S rRNA gene amplicons and geochemical analysis of deeply-sourced seeps along the southern CAVA, where subduction of the Cocos Ridge alters the geological setting. We find shifts in community composition along the convergent margin, with communities in similar geological settings clustering together independently of the proximity of sample sites. Microbial community composition correlates with geological variables such as host rock type, maturity of hydrothermal fluid and slab depth along different segments of the CAVA. This reveals tight coupling between deep Earth processes and subsurface microbial activity, controlling community distribution, structure and composition along a convergent margin.

Science & Technology - Other Topics↗

Preliminary Screening of Features, Events, and Processes for an Arctic-Focused Climate Intervention Performance Assessment

Geoengineering, the deliberate large-scale intervention in Earth's climate system, holds significant potential in the rapidly warming Arctic, where temperatures currently rise at more than twice the global average, accelerating ice sheet and permafrost melt. This contributes to global sea-level rise and releases methane, a potent greenhouse gas. Strategies like solar radiation management (SRM) and carbon dioxide removal (CDR) could mitigate these effects; for instance, SRM techniques aim to reflect a portion of the sun's energy back into space, potentially slowing ice melt and stabilizing permafrost. However, geoengineering in the Arctic faces challenges, including potential unintended consequences on the fragile ecosystem, disruption of local weather patterns, and impacts on indigenous communities. Effective governance requires robust international cooperation, environmental impact assessments, and regulatory frameworks. Despite these challenges, geoengineering's potential benefits make it a critical research area. This report explores application of the Performance Assessment (PA) methodology to Arctic Climate Intervention, providing an initial screening of relevant features, events, and processes (FEPs). At the core of the PA approach is the identification and evaluation of FEPs that could impact the performance of the intervention scheme. Here we provide an initial screening of FEPs to consider in the application of PA to Arctic Climate Intervention.

54 ENVIRONMENTAL SCIENCES↗

MetaHeuristic Feature Selection for Energy Group Optimization and Analysis

Energy discretization is a crucial component of deterministic neutron transport simulations. Metaheuristic (MH) optimizers are effective algorithms to determine group structures that maximize both solution accuracy and computational efficiency. This project establishes a framework for optimizing group structures for PARTISN simulations using the Python library MEALPY. Group structure optimization is formulated as a binary feature selection problem, and results are investigated with permutation and material importance techniques to determine physically relevant energy bounds. We conclude that MH optimizers find group structures that drastically improve flux calculations while preserving k-effective accuracy. Further, we find that individual energy bounds are not necessarily physically relevant, but rather specific energy ranges are.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Exploiting the PRISM Feature and Purity Monitors of the SBND Neutrino Detector

The Short-Baseline Neutrino (SBN) program at Fermilab will pursue neutrino properties searches, exploiting three Liquid Argon Time Projection Chamber (LArTPC) experiments to investigate neutrino oscillations with neutrinos from the Booster Neutrino Beam (BNB). SBND will be the near detector in the program, measuring the un-oscillated flux. It is anticipated to begin operating in 2023. Thanks to its peculiar proximity to the neutrino source of about 110 meters, SBND will collect extremely high statistics data of the flux in the GeV energy range, providing unprecedented precision measurements. SBND particular setting also allows to take measurements at different distances from BNB’s center maintaining statistics high enough at each range. LArTPC and the cold electronics technologies, as well as the argon-neutrino interaction studies, will play a key role in future neutrino physics. In this prospect, this work was focused on two SBND features: SBND PRISM tool, with the aim of investigating neutrino flux at different distances from the beam axis, and Purity Monitors, which provide a clever measurement of argon purity in the detector, whose value is fundamental in neutrino-argon interaction.

43 PARTICLE ACCELERATORS↗

Measurement of Local Impedance Characteristics of In-Plane PEM Electrolyzer Component Features via Segmented Cell

Segmented cells are a class of advanced diagnostic devices that enable the measurement of current distribution within the active area of an electrochemical cell, allowing for the evaluation of localized impacts from operating conditions, flow fields and component inhomogeneities. Segmented cell devices have been applied to support R&D efforts for the advancement of polymer electrolyte membrane fuel cell technologies and more recently proton exchange membrane water electrolysis (PEMWE). Beyond current density distributions, segmented cells have been successfully deployed to collect the distribution of other relevant parameters such as high frequency resistance and electrode potentials. Very recently, a promising impedance method has been reported for water electrolysis where a one-dimensional segmented cell is coupled to a multichannel potentiostat, to enable the measurement of local cell impedances, further expanding the diagnostic capabilities of the segmented cell. In this study, we will present recent efforts to accurately measure local impedance characteristics for a PEMWE cell using a two-dimensional segmented cell device coupled with a multichannel potentiostat. The distribution of local resistances, i.e. high frequency, charge transfer, mass transport and catalyst layer, and iR-free overpotentials were successfully measured after eliminating sources of random and systematic error. We will discuss the application of this diagnostic on a cell containing a 1 cm feature simulating an ionomer skin. The results from these tests give insights if such an irregularity needs to be classified as a defect, and highlight the usefulness of coupling impedance spectroscopy with segmented cells for holistic spatial diagnostics of electrochemical devices.

08 HYDROGEN↗

Bioindicator “fingerprints” of methane-emitting thermokarst features in Alaskan soils

Permafrost thaw increases the bioavailability of ancient organic matter, facilitating microbial metabolism of volatile organic compounds (VOCs), carbon dioxide, and methane (CH 4 ). The formation of thermokarst (thaw) lakes in icy, organic-rich Yedoma permafrost leads to high CH 4 emissions, and subsurface microbes that have the potential to be biogeochemical drivers of organic carbon turnover in these systems. However, to better characterize and quantify rates of permafrost changes, methods that further clarify the relationship between subsurface biogeochemical processes and microbial dynamics are needed. In this study, we investigated four sites (two well-drained thermokarst mounds, a drained thermokarst lake, and the terrestrial margin of a recently formed thermokarst lake) to determine whether biogenic VOCs (1) can be effectively collected during winter, and (2) whether winter sampling provides more biologically significant VOCs correlated with subsurface microbial metabolic potential. During the cold season (March 2023), we drilled boreholes at the four sites and collected cores to simultaneously characterize microbial populations and captured VOCs. VOC analysis of these sites revealed “fingerprints” that were distinct and unique to each site. Total VOCs from the boreholes included > 400 unique VOC features, including > 40 potentially biogenic VOCs related to microbial metabolism. Subsurface microbial community composition was distinct across sites; for example, methanogenic archaea were far more abundant at the thermokarst site characterized by high annual CH 4 emissions. The results obtained from this method strongly suggest that ∼10% of VOCs are potentially biogenic, and that biogenic VOCs can be mapped to subsurface microbial metabolisms. By better revealing the relationship between subsurface biogeochemical processes and microbial dynamics, this work advances our ability to monitor and predict subsurface carbon turnover in Arctic soils.

anaerobic degradation↗

Subcellular Feature-Based Classification of α and β Cells Using Soft X-ray Tomography

The dysfunction of α and β cells in pancreatic islets can lead to diabetes. Many questions remain on the subcellular organization of islet cells during the progression of disease. Existing three-dimensional cellular mapping approaches face challenges such as time-intensive sample sectioning and subjective cellular identification. To address these challenges, we have developed a subcellular feature-based classification approach, which allows us to identify α and β cells and quantify their subcellular structural characteristics using soft X-ray tomography (SXT). We observed significant differences in whole-cell morphological and organelle statistics between the two cell types. Additionally, we characterize subtle biophysical differences between individual insulin and glucagon vesicles by analyzing vesicle size and molecular density distributions, which were not previously possible using other methods. These sub-vesicular parameters enable us to predict cell types systematically using supervised machine learning. We also visualize distinct vesicle and cell subtypes using Uniform Manifold Approximation and Projection (UMAP) embeddings, which provides us with an innovative approach to explore structural heterogeneity in islet cells. This methodology presents an innovative approach for tracking biologically meaningful heterogeneity in cells that can be applied to any cellular system.

3D cell mapping↗

The Emission and Suppression of Line Features in Luminous Transients

Featureless optical and ultraviolet (UV) spectra are a puzzling signature to emerge from recent observations of luminous fast blue optical transients (LFBOTs) and some tidal disruption events (TDEs). We describe the landscape of source and gas properties that are expected to form H, He I , and He II emission lines, and map spectral types to the parameter space of luminosity and system radius. Using one-dimensional radiative transfer calculations, we show that high source luminosities (L > 10 44 erg s −1 ) and compact ejecta radii (r < 10 14 cm) produce featureless spectra, due to the high temperature and ionization state of the emitting medium. Intermediate luminosities and moderately compact systems can generate He II -dominated spectra, while lower luminosities and more extended atmospheres result in conspicuous H and He I emission. Large expansion velocities (v ≥ 0.1c) can further broaden lines such that they blend into the continuum. Featureless UV spectra may require even more extreme ionization environments or velocities in order to suppress the many intrinsically strong metal lines at those wavelengths. Applying this framework to understand the absence of features observed in LFBOTs and featureless TDEs, we find that, under the optically thick, quasi-thermal conditions considered here, nonhomologous, compact outflows are likely necessary for featurelessness to persist in optical and UV spectra.

Aspegren, Olivia [University of California, Berkel↗