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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 325 records · Page 18

Molecular Reaction Imaging of a Surface Recombination Process Explains Performance Variation Among Smooth MoS 2 Photoelectrodes

Transition metal dichalcogenides (TMD) such as WSe 2 and MoS 2 are highly efficient and stable light absorbers in TMD∣I − ,I 3 − ∣Pt liquid junction solar cells. It is generally accepted that TMD crystals with a large fraction of exposed edge sites exhibit lower power conversion efficiencies (PCEs) than apparently smooth crystals. However, one open question is why does the PCE vary significantly from one crystal to another? Answering this critical question could lead to robust syntheses for high quality and uniform TMD samples. In this work, we apply nanoscale photoelectrochemical microscopy techniques to study n-type TMD nanoflake∣I − ,I 3 − ∣Pt cells. Using a combination of near-diffraction-limited photocurrent mapping and molecular reaction imaging techniques, we reveal a previously hidden surface recombination process: photogenerated holes in hidden p-type domains travel micron-scale distances parallel to the solid/liquid interface and preferentially react with iodide at step-edges. The overall efficiency of the nanoflake, as evidenced from whole nanoflake-level photoelectrochemical measurements, is dictated by the size, efficiency, and location of n- and p-type domains. Furthermore, these results provide a unifying view of efficiency losses in smooth TMD photoelectrodes and open the possibility to design electrode architectures that leverage the long-range lateral charge transport property for photoelectrocatalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Human-Centered and Explainable Artificial Intelligence in Nuclear Operations

Nuclear power plants in the United States are critical to the nation’s energy security, accounting for 20% of all electricity produced for the power grid. As energy needs grow, 100 gigawatts of additional nuclear power will be necessary by 2050, more than double the current capacity. Realizing this target requires cutting-edge technology like artificial intelligence (AI) and machine learning (ML) that can bring about significant increases in the level of automation. Human-centered AI (HCAI) is a combination of human-centered design (human factors, human-in-the-loop, etc.) with AI/ML to help produce an efficient and reliable system with full consideration for human engagement. This paper provides a comprehensive and novel discussion of HCAI considerations in nuclear power, introducing unique applications for the existing fleet as well as new advanced reactor designs. We include real-life use cases of AI applications to work management processes at nuclear power sites and highlight lessons learned for HCAI.

Hall, Anna↗

Continuous surface-to-distributed acoustic sensor snapshots explain reactivation of individual natural fractures during an unconventional reservoir stimulation

ABSTRACT Fiber-optic sensing technologies allow petroleum engineering teams to detect hydraulic fracture interaction with boreholes during unconventional reservoir stimulation. In combination with high-repeatability seismic sources, the same distributed acoustic sensors (DASs) enable vertical seismic profiling (VSP) of the fracture evolution away from the boreholes. We discovered clear signatures of seismic scattering on activated fractures during nine days of continuous seismic monitoring of the fracturing stages at the Austin Chalk/Eagle Ford Field Laboratory. The present study applies a novel approach for quantitative analysis of the scattering events in terms of the evolution of the geometry and elastic stiffness of individual fractures. Our characterization strategy sequentially refines the fracture models: from a stack of 1D soft layers to 3D rectangular inclusions. First, we estimate the number of fracture locations and reflectivity using a modified sparse-spike deconvolution of the stacked VSP traces. The fracture set consists of five fractures spaced by 15–30 m with a reflectivity of approximately 1%. Then, we develop a scattering integral method to refine these estimates along with an inversion of the fracture top and bottom for each monitoring vintage. We find that, initially, some of the fractures are located above the monitoring fiber with the height of approximately 100 m. Then we integrate the seismic interpretation with the low-frequency DAS and pressure and microseismic monitoring to reconstruct the activation process of the fractures. Most likely, some of the natural fractures slowly grew downward to the monitoring fiber as a result of fluid injections in the stimulated well. This led to bright strain anomalies but did not trigger seismicity. The top of the fractures remained almost constant and were limited by a lithologic boundary/stress barrier. To our knowledge, this is the first time VSP data enabled tracking of the fracture evolution with such high spatial and temporal resolution, which was previously only available for crosswell surveys and at a much smaller scale.

Glubokovskikh, Stanislav↗

Data for Soil Fertility Management for Sustainable Miscanthus × giganteus Production: Increased Tiller Weight from Nitrogen Management Explains Yield Gains in Aged Miscanthus

Aging-related yield decline in Miscanthus × giganteus (miscanthus) remains a major constraint to sustainable biomass production. This study evaluated how nitrogen (N) management and soil fertility influence yield-component traits and productivity in aging miscanthus. Trials were conducted at two sites established in 2008 at the University of Illinois Energy Farm, Urbana, IL. (i) The Sun Grant trial received 0, 60, and 120 kg N ha−1 annually until 2015. Starting 2021, half of each plot received 60 or 120 kg N ha−1, resulting in six legacy-contemporary treatments: 0N–0N, 0N–120N, 60N–0N, 60N–60N, 120N–0N, 120N–120N. (ii) The Energy Farm trial remained unfertilized until 2014, when one half of each plot received 56 kg N ha−1, forming two treatments: 0N–0N, 0N–56N. Sun Grant trial results showed N fertilization increased tiller density (tillers m−2) and tiller weight (g tiller−1) in juvenile to early-mature miscanthus (2011–2015). After N withdrawal, both traits declined (20 % and 40 %), though legacy effects persisted in tiller weight in the aging stands (2020–2023). Contemporary N had little effect on tiller density but increased tiller weight by 34 %–77 %, resulting in 23 %–106 % higher machine-harvested biomass yield in 0–120N, 60-60N, and 120-120N plots. At the Energy Farm trial, 0N–56N plots yielded 59 %–108 % more biomass than 0N–0N. Soil total N increased (Sun Grant: 47 % by 2020; Energy Farm: 58 % by 2023), while Mehlich-3 P (42 %–44 %) and K (21 %–46 %) declined. These findings identify tiller weight as a key determinant of biomass yield in aging miscanthus and highlight the need for P and K management for long-term productivity.

miscanthus↗

Mechanisms of QT prolongation by buprenorphine cannot be explained by direct hERG channel block

Buprenorphine is a μ-opioid receptor (MOR) partial agonist used to manage pain and addiction. QT C prolongation that crosses the 10 msec threshold of regulatory concern was observed at a supratherapeutic dose in two thorough QT studies for the transdermal buprenorphine product BUTRANS®. Because QT C prolongation can be associated with Torsades de Pointes (TdP), a rare but potentially fatal ventricular arrhythmia, these results have led to further investigation of the electrophysiological effects of buprenorphine. Drug-induced QT C prolongation and TdP are most commonly caused by acute inhibition of hERG current (I hERG ) that contribute to the repolarizing phase of the ventricular action potentials (APs). Concomitant inhibition of inward late Na + (I NaL ) and/or L-type Ca 2+ (I CaL ) current can offer some protection against proarrhythmia. Therefore, we characterized the effects of buprenorphine and its major metabolite norbuprenorphine on cardiac hERG, Ca 2+ , and Na + ion channels, as well as cardiac APs. For comparison, methadone, a MOR agonist associated with QT C prolongation and high TdP risk, and naltrexone and naloxone, two opioid receptor antagonists, were also studied. Whole cell recordings were performed at 37°C on cells stably expressing hERG, Ca V 1.2, and Na V 1.5 proteins. Microelectrode array (MEA) recordings were made on human induced pluripotent stem cell-derived cardiomyocytes (iPSC-CMs). The results showed that buprenorphine, norbuprenorphine, naltrexone, and naloxone had no effect on I hERG , I CaL , I NaL , and peak Na + current (I NaP ) at clinically relevant concentrations. In contrast, methadone inhibited I hERG , I CaL , and I NaL . Experiments on iPSC-CMs showed a lack of effect for buprenorphine, norbuprenorphine, naltrexone, and naloxone, and delayed repolarization for methadone at clinically relevant concentrations. The mechanism of QT C prolongation is opioid moiety-specific. This remains undefined for buprenorphine, while for methadone it involves direct hERG channel block. There is no evidence that buprenorphine use is associated with TdP. Whether this lack of TdP risk can be generalized to other drugs with QT C prolongation not mediated by acute hERG channel block warrants further study.

59 BASIC BIOLOGICAL SCIENCES↗

Evaluating and Explaining Natural Language Generation with GenX

Current methods for evaluation of natural language generation models focus on measuring text quality but fail to probe the model creativity, i.e., its ability to generate novel but coherent text sequences not seen in the training corpus. We present the GenX tool which is designed to enable interactive exploration and explanation of natural language generation outputs with a focus on the detection of memorization. We demonstrate the utility of the tool on two domain-conditioned generation use cases - phishing emails and ACL abstracts.

Duskin, Kayla R.↗

Vision Transformers Explained Series

Since their introduction in 2017 with Attention is All You Need¹, transformers have established themselves as the state of the art for natural language processing (NLP). In 2021, An Image is Worth 16x16 Words successfully adapted transformers for computer vision tasks. Since then, numerous transformer-based architectures have been proposed for computer vision. This article walks through the Vision Transformer (ViT) as laid out in An Image is Worth 16x16 Words.

97 MATHEMATICS AND COMPUTING↗

FORESTR: Finding, Organizing, Representing, Explaining, Summarizing, and Thinning Random forests

Random forests have become popular models used for data driven predictions. As a result, random forests are currently used or being considered for high-consequence mission applications in national security, such as the prediction of yield from optical signals and malware detection. While random forests may provide accurate predictions, the complexity of the algorithm causes a lack of interpretability. Random forests are an ensemble of regression or decision trees. Individual regression and decision trees are interpretable, but ensembles are inherently difficult to interpret due to the compilation of many models. We aim to increase the interpretability of random forests by finding patterns in the ensemble of trees that can be used to “thin” (or remove) trees. As a starting point, in this report, we develop a new distance metric for quantifying the similarity between trees based on their topologies (i.e., shapes). We base the metric on a novel distance metric for graphs that is a proper mathematical distance, is invariant to transformations, has registration between graphs, and computes topological evolutions between graphs. We use the tree distance metric to compute tree statistics such as a “mean tree” and to identify clusters of trees. We apply the developed methodology to a toy dataset and a mission relevant product inspection dataset to demonstrate how the metric can provide insight into random forests. Furthermore, we discuss the limitations of the approach and ideas for future research into how the metric could be used as a thinning tool to develop less complex models.

97 MATHEMATICS AND COMPUTING↗