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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 253 records · Page 14

WRF-Chem & Data Assimilation: Reconstructing a Historic Dispersion Event

CONCLUSIONS • For this particular case and use, 3D-VAR was the most useful data assimilation method applied for modeling this plume. • Slight downside was the plume was modeled to move too quickly. • Whether this result is generalizable may be debatable based on the circumstances. • The atmospheric state altered how effective the data assimilation algorithms performed. • Nudging and 3D-VAR are not mutually exclusive, but their errors for wind speed may compound

Thomas, Andrew M. [Savannah River National Laborat↗

Parallel-in-Time Solution of Scalar Nonlinear Conservation Laws

Here, we consider the parallel-in-time solution of scalar nonlinear conservation laws in one spatial dimension. The equations are discretized in space with a conservative finite-volume method using weighted essentially nonoscillatory (WENO) reconstructions, and in time with high-order explicit Runge–Kutta methods. The solution of the global, discretized space-time problem is sought via a nonlinear iteration that uses a novel linearization strategy in cases of nondifferentiable equations. Under certain choices of discretization and algorithmic parameters, the nonlinear iteration coincides with Newton’s method, although, more generally, it is a preconditioned residual correction scheme. At each nonlinear iteration, the linearized problem takes the form of a certain discretization of a linear conservation law over the space-time domain in question. An approximate parallel-in-time solution of the linearized problem is computed with a single multigrid reduction-in-time (MGRIT) iteration; however, any other effective parallel-in-time method could be used in its place. The MGRIT iteration employs a novel coarse-grid operator that is a modified conservative semi-Lagrangian discretization and generalizes those we have developed previously for nonconservative scalar linear hyperbolic problems. Numerical tests are performed for the inviscid Burgers and Buckley–Leverett equations. For many test problems, the solver converges in just a handful of iterations with a convergence rate independent of mesh resolution, including problems with (interacting) shocks and rarefactions.

97 MATHEMATICS AND COMPUTING↗

End-to-end deep learning pipeline for real-time Bragg peak segmentation: from training to large-scale deployment

X-ray crystallography reconstruction, which transforms discrete X-ray diffraction patterns into three-dimensional molecular structures, relies critically on accurate Bragg peak finding for structure determination. As X-ray free electron laser (XFEL) facilities advance toward MHz data rates (1 million images per second), traditional peak finding algorithms that require manual parameter tuning or exhaustive grid searches across multiple experiments become increasingly impractical. While deep learning approaches offer promising solutions, their deployment in high-throughput environments presents significant challenges in automated dataset labeling, model scalability, edge deployment efficiency, and distributed inference capabilities. We present an end-to-end deep learning pipeline with three key components: (1) a data engine that combines traditional algorithms with our peak matching algorithm to generate high-quality training data at scale, (2) a modular architecture that scales from a few million to hundreds of million parameters, enabling us to train large expert-level models offline while deploying smaller, distilled models at the edge, and (3) a decoupled producer-consumer architecture that separates specialized data source layer from model inference, enabling flexible deployment across diverse computing environments. Using this integrated approach, our pipeline achieves accuracy comparable to traditional methods tuned by human experts while eliminating the need for experiment-specific parameter tuning. Although current throughput requires optimization for MHz facilities, our system's scalable architecture and demonstrated model compression capabilities provide a foundation for future high-throughput XFEL deployments.

Wang, Cong↗

Clustering Interval Load with Weather to Create Scenarios of Behind-the-Meter Solar Penetration

Forecasting load at the feeder level has become increasingly challenging with the penetration of behind-the-meter solar, as this self-generation is only visible to the utility as aggregated net-load. This work proposes a methodology for creation of scenarios of solar penetration at the feeder level for use by forecasters to test the robustness of their algorithm to progressively higher penetrations of solar. The algorithm draws on publicly available observations of weather condition (e.g., rainy/cloudy/fair) for use as proxies to sky clearness. These observations are used to mask and weight the interval deviations of similar native usage profiles from which average interval usage is calculated and subsequently added to interval net generation to reconstruct interval total generation. This approach improves the estimate of annual energy generation by 23%; where the net generation signal currently reflects 52% of total annual gener- ation, now 75% is captured. This methodology for creation of forecast testing scenarios is data driven and extensible to service territories which lack information on irradiance measurements and geocoordinates.

solar, load↗

Enhanced Ionization Charge Identification in the Short-Baseline Neutrino Program Neutrino Detectors with Deep Neural Networks

We present a deep neural net-based region of interest detection method (DNN ROI) for signal processing in the liquid argon time projection chambers of the Short-Baseline Neutrino (SBN) Program, SBND and ICARUS. DNN ROI addresses limitations of the traditional wire-by-wire thresholding algorithm by leveraging the full two-dimensional detector readout and cross-plane matching information. To account for detector performance variations, we explore training with augmented samples. We find that DNN ROI outperforms the traditional method in both low-level ROI identification performance and high-level reconstruction metrics for high-energy cosmic and accelerator neutrino interaction products, while also being more robust against detector variations, with or without sample augmentation.

Abratenko, P. [Tufts U.]↗

Analysis of neoclassical tearing mode stabilization experiment by electron cyclotron injection in KSTAR

We report the neoclassical tearing mode (NTM) stabilization experimental results by injection of the electron cyclotron (EC) beam in KSTAR, and its analysis with integrated modelling. In the KSTAR experiment, NTM was intentionally induced and the EC beam was injected by the plasma control system (PCS) to stabilize it. Here, the EC angle was controlled based on the minimum seeking algorithm for the island growth rate. Although the EC angle was not changed significantly, the island width significantly decreased towards the end of the experiment followed by the recovery of plasma performance. To assess the NTM stabilization experiment from a stability perspective, we performed integrated modelling with TRIASSIC utilizing the reconstructed equilibrium with magnetic diagnostics and motional stark effect diagnostics. As a result, we observed that the NTM is stabilized by EC.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Estimation and Visualization of Isosurface Uncertainty from Linear and High-Order Interpolation Methods

Isosurface visualization is fundamental for exploring and analyzing 3D volumetric data. Marching cubes (MC) algorithms with linear interpolation are commonly used for isosurface extraction and visualization. Although linear interpolation is easy to implement, it has limitations when the underlying data is complex and high-order, which is the case for most real-world data. Linear interpolation can output vertices at the wrong location. Its inability to deal with sharp features and features smaller than grid cells can lead to an incorrect isosurface with holes and broken pieces. Despite these limitations, isosurface visualizations typically do not include insight into the spatial location and the magnitude of these errors. We utilize high-order interpolation methods with MC algorithms and interactive visualization to highlight these uncertainties. Our visualization tool helps identify the regions of high interpolation errors. It also allows users to query local areas for details and compare the differences between isosurfaces from different interpolation methods. In addition, we employ high-order methods to identify and reconstruct possible features that linear methods cannot detect. We showcase how our visualization tool helps explore and understand the extracted isosurface errors through synthetic and real-world data.

Ouermi, Timbwaoga↗

High-level hadronic tau lepton triggers of the CMS experiment in proton-proton collisions at √(s) = 13.6 TeV

The trigger system of the CMS detector is pivotal in the acquisition of data for physics measurements and searches. Studies of final states characterized by hadronic decays of tau leptons require the reconstruction and the identification of genuine tau leptons against quark- and gluon-initiated jets at the trigger level. This is a difficult task, particularly as improvements to the LHC have resulted in an increased number of interactions per bunch crossing in recent years. To address this challenge, a series of machine-learning algorithms with high identification efficiency and low computational cost have been incorporated into the high-level trigger for hadronically decaying tau leptons. In this paper, these developments and the trigger performance are summarized using data collected by the CMS experiment in proton-proton collisions at √(s) = 13.6 TeV in 2022–2023, corresponding to an integrated luminosity of 62 fb -1 .

Particle identification methods↗

Sharp front tracking with geometric interface reconstruction

Here, this paper presents a novel sharp front-tracking method designed to address limitations in classical front-tracking approaches, specifically their reliance on smooth interpolation kernels and extended stencils for coupling the front and fluid mesh. In contrast, the proposed method employs exclusively sharp, localized interpolation and spreading kernels, restricting the coupling to the interfacial fluid cells–those containing the interface/front. This localized coupling is achieved by integrating a divergence-preserving velocity interpolation method with a piecewise parabolic interface calculation (PPIC) and a polyhedron intersection algorithm to compute the indicator function and local interface curvature. Surface tension is computed using the Continuum Surface Force (CSF) method, maintaining consistency with the sharp representation. Additionally, we propose an efficient local roughness smoothing implementation to account for surface mesh undulations, which is easily applicable to any triangulated surface mesh. Building on our previous work, the primary innovation of this study lies in the localization of the coupling for both the indicator function and surface tension calculations. By reducing the interface thickness on the fluid mesh to a single cell, as opposed to the 4–5 cell spans typical in classical methods, the proposed sharp front-tracking method achieves a highly localized and accurate representation of the interface. This sharper representation mitigates parasitic currents and improves force balancing, making it particularly suitable for scenarios where the interface plays a critical role, such as microfluidics, fluid-fluid interactions, and fluid-structure interactions. The proposed method is comprehensively validated and tested on canonical interfacial flow problems, including stationary and translating Laplace equilibria, oscillating droplets, and rising bubbles. The presented results demonstrate that the sharp front-tracking method significantly outperforms the classical approach in terms of accuracy, stability, and computational efficiency. Notably, parasitic currents are reduced by approximately two orders of magnitude and stable results are obtained for parameter ranges where classical front tracking fails to converge.

42 ENGINEERING↗

Fracture Characterization Via AI‐Assisted Analysis of Temperature Logs

Abstract Fractures control fluid flow, mass transport, and heat transfer in a geothermal reservoir. This makes accurate characterization of fracture networks a prerequisite for optimal design and control of a reservoir's exploitation. We develop a deep‐learning procedure to identify fracture locations via interpretation of temporally and spatially continuous downhole temperature measurements. A long short‐term memory fully convolutional network (LSTM‐FCN) is used both to capture long‐term dependencies in sequential temperature data and to distill local features around fractures. A wellbore and fractured‐reservoir thermal model is established to generate temperature data for network training. The trained LSTM‐FCN exhibits a unique ability to detect multiple fractures intersecting a borehole. We use the LSTM‐FCN algorithm to evaluate the effectiveness of different‐stage wellbore temperature measurements on fracture detection in a complex fractured system. Our experiments reveal that the use of various‐stage temperature information as an input feature set improves the robustness of fracture detection to noise interference. This study indicates the practical feasibility of obtaining accurate fracture‐network reconstructions from temperature signals, at reasonable computational cost.

Yang, Xiaoyu↗

Desmearing two-dimensional small-angle neutron scattering data by central moment expansions

Resolution smearing is a critical challenge in the quantitative analysis of two-dimensional small-angle neutron scattering (SANS) data, particularly in studies of soft-matter flow and deformation using SANS. Here, we present a central moment expansion technique to address smearing in anisotropic scattering spectra, offering a model-free desmearing methodology. By accounting for directional variations in resolution smearing and enhancing computational efficiency, this approach reconstructs desmeared intensity distributions from smeared experimental data. Computational benchmarks using interacting hard-sphere fluids and Gaussian chain models validate the accuracy of the method, while simulated noise analyses confirm its robustness under experimental conditions. Experimental validation using rheological SANS data from shear-induced micellar structures demonstrates the practicality and effectiveness of the proposed algorithm. The desmearing technique provides a powerful tool for advancing the quantitative analysis of anisotropic scattering patterns, enabling precise insights into the interplay between material microstructure and macroscopic flow behavior.

anisotropic scattering spectra↗

The high level trigger and express data production at STAR

To meet the demands of the Beam Energy Scan phase-II (BES-II) program, the STAR experiment at the Relativistic Heavy Ion Collider (RHIC) developed a dual real-time framework consisting of a High Level Trigger (HLT) and an Express Data Production system (xProduction). The HLT operates online within the Data Acquisition (DAQ) chain on a dedicated multi-core CPU cluster with the option to offload compute-intensive kernels to Xeon Phi coprocessors. It uses parallelized algorithms, such as the Cellular Automaton (CA) Track Finder, to perform rapid tracking, vertexing, and event filtering. This allows it to select events of interest in real time and provide immediate feedback on detector and beam conditions. In contrast, the xProduction workflow runs concurrently and independently of the DAQ loop. It applies near offline-quality calibration and reconstruction within hours of data collection. The xProduction input is the express data stream, whose content can be enriched by HLT trigger/priority selections under DAQ/HLT resource constraints, and it uses the STAR calibration/conditions framework, incorporating online calibration/QA information when available. This enables early preliminary physics analysis, including the reconstruction of rare signals, such as hyperons and hypernuclei. It also provides collaboration-wide access to analysis-ready datasets. Together, the HLT and xProduction systems form a complementary architecture: the HLT performs online event selection while the xProduction chain delivers high-quality results within a short amount of time. This integrated framework has enabled the prompt reconstruction of the $^5_Λ$ He hypernucleus with high statistical significance and the efficient processing of hundreds of millions of heavy-ion collision events. In conclusion, its demonstrated scalability and robustness establish a model for future high-luminosity experiments requiring both online event filtering and rapid access to analysis-quality data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Predicting interface structure using the minima hopping method

Here, we adapt the minima hopping method (MHM) to the problem of interfacial structure prediction and apply it to study a canonical problem, the tilt grain boundaries in SrTiO 3 . Our method employs a hybrid approach by first exploring the potential energy surface (PES) of different grain boundary samplings with an empirical force field, among which the fifteen candidates with lower energies are then refined using ab initio density functional theory (DFT) calculations. During the exploratory stage, we bias the search using a local order parameter to primarily sample various reconstructions in the vicinity of the interface, while preserving the crystallinity of the bulk regions. We further enhance the search by incorporating initial structures with rigid body displacements to account for translational variations between bulk phases, enabling the MHM to effectively generate both stoichiometric and nonstoichiometric SrTiO 3 Σ⁢3(111)[110] and Σ⁢3(112)[110] grain boundaries. From an algorithmic standpoint, MHM outperforms earlier studies based on genetic algorithms (GA) by identifying more stable interfacial structures of several SrTiO 3 grain boundaries. The performance of the present implementation of the MHM approach is primarily limited by exploring an approximate description of the PES with a rather simple Buckingham potential. This limitation leads to variations in performance when compared to approaches utilizing more advanced surrogate PES models, such as direct DFT-PES sampling or GA with the embedded atom method (EAM). Despite the present limitations, the MHM approach is able to yield interfacial structures with comparable or lower interfacial energies in specific cases, such as Σ⁢3(111)[110] Γ=1, ±0.5 and Σ⁢3(112)[110] Γ= ±1, −2, underscoring the robustness of the MHM approach even with a simple approximation of the DFT PES. The MHM interfacial structure prediction method thus offers an efficient approach to understanding the grain boundaries and heterointerfaces at the atomic scale, providing an important prerequisite for effective materials design.

density functional theory↗

Poisson-response Tensor-on-Tensor Regression and Applications

We introduce Poisson-response tensor-on-tensor regression (PToTR), a novel regression framework designed to handle tensor responses composed element-wise of random Poisson-distributed counts. Tensors, or multi-dimensional arrays, composed of counts are common data in fields such as inter national relations, social networks, epidemiology, and medical imaging, where events occur across multiple dimensions like time, location, and dyads. PToTR accommodates such tensor responses alongside tensor covariates, providing a versatile tool for multi dimensional data analysis. We propose algorithms for maximum likelihood estimation under a canonical polyadic (CP) structure on the regression coefficient tensor that satisfy the positivity of Poisson parameters and then provide an initial theoretical error analysis for PToTR estimators. We also demonstrate the utility of PToTR through three concrete applications: longitudinal data analysis of the Integrated Crisis Early Warning System database, positron emission tomography (PET) image reconstruction, and change-point detection of communication patterns in longitudinal dyadic data. These applications highlight the versatility of PToTR in addressing complex, structured count data across various domains.

97 MATHEMATICS AND COMPUTING↗

Toward Drilling the Perfect Geothermal Well: An International Research Coordination Network for Geothermal Drilling Optimization Supported by Deep Machine Learning and Cloud Based Data Aggregation

The EDGE project, supported by the U.S. Department of Energy Geothermal Technologies Office under award DE-EE0008793, established a data-driven framework for improving the efficiency, cost-effectiveness, and reliability of geothermal well drilling. The project focused on developing scalable data infrastructure, advanced machine learning and probabilistic models, and integrated analytics tools to support continuous drilling optimization. A central objective was to reduce geothermal drilling costs by up to seventy percent while minimizing the risk of well failure through predictive diagnostics and adaptive planning. Over the project period, a comprehensive data repository was designed and deployed, incorporating records from over one hundred geothermal wells across varied geological settings. This repository supported both structured and unstructured data and adhered to FAIR data principles, enabling provenance tracking, quality control, and standardized metadata. The project introduced automated ingestion pipelines and a cloud-hosted platform that facilitated access to raw, processed, and derived datasets. This infrastructure served as the foundation for model development and analysis. Machine learning workflows were developed to predict key drilling metrics including rate of penetration, non-productive time, and total drilling costs. Self-organizing maps and dimensionality reduction methods were used to uncover operational patterns and outliers, while supervised learning algorithms such as random forests and deep neural networks were applied to forecast performance outcomes. The models were validated on heterogeneous datasets from both U.S. and Icelandic fields, demonstrating variable but significant predictive accuracy. The results indicated that finer temporal resolution, inclusion of lithological data, and consistency in operational annotations could substantially improve model performance. The project also implemented process mining techniques to reconstruct state-transition models from drilling event logs. These models enabled the identification of deviations from optimal workflows and provided insights into recurring failure modes. Analysis of non-productive time highlighted the impact of equipment failures, geological challenges, and human factors, offering opportunities for targeted mitigation strategies. The EDGE Dashboard was developed as a web-based expert system integrating data visualization, model outputs, and user-driven queries. It provided an accessible interface for operators to explore historical data, evaluate predicted outcomes, and compare drilling scenarios. Initial feedback from project partners suggested that the dashboard could serve as a foundation for more advanced advisory and optimization tools. Overall, the EDGE project demonstrated the feasibility and value of applying modern data science techniques to geothermal drilling. It delivered a set of interoperable tools and models that can support more efficient, lower-risk well development. The findings point toward a viable path for transitioning from advisory analytics to semi-autonomous drilling systems, contingent on continued collaboration, expanded datasets, and field validation. The project results have immediate relevance for drilling operations, data management practices, and future geothermal R&D efforts aimed at achieving reliable, cost-competitive geothermal energy at scale.

15 GEOTHERMAL ENERGY↗

Quantum optical classifier with superexponential speedup

Abstract Classification is a central task in deep learning algorithms. Usually, images are first captured and then processed by a sequence of operations, of which the artificial neuron represents one of the fundamental units. This paradigm requires significant resources that scale (at least) linearly in the image resolution, both in terms of photons and computational operations. Here, we present a quantum optical pattern recognition method for binary classification tasks. It classifies objects without reconstructing their images, using the rate of two-photon coincidences at the output of a Hong-Ou-Mandel interferometer, where both the input and the classifier parameters are encoded into single-photon states. Our method exhibits the behaviour of a classical neuron of unit depth. Once trained, it shows a constant $${{\mathcal{O}}}(1)$$ O ( 1 ) complexity in the number of computational operations and photons required by a single classification. This is a superexponential advantage over a classical artificial neuron.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

ARM SGP PBLH and MLH datasets from Raman lidar and Doppler lidar

The planetary boundary layer (PBL) plays a critical role in the atmosphere by transferring heat, moisture, and momentum. The warm PBL has a distinct diurnal cycle including the daytime convective mixing layer (ML) and nighttime residual layer developments. Thus, simultaneous determinations of PBL height (PBLH) and ML height (MLH) are necessary for studying PBL characterization and processes. Here, new approaches are developed to provide reliable PBLH and MLH estimates to characterize warm PBL evolution. The approaches use Raman lidar (RL) water vapor mixing ratio (WVMR) and Doppler lidar (DL) vertical velocity measurements at the Southern Great Plains (SGP) atmospheric observatory, which was established by the Atmospheric Radiation Measurement (ARM) User Facility. Compared to widely used lidar aerosol measurements for PBLH, WVMR is a better tracer for PBL vertical mixing. For PBLH, the approach classifies PBL water vapor structures into a few general patterns, then uses a slope method and dynamic threshold method to determine PBLH. For MLH, wavelet analysis is used to reconstruct 2D variance from DL vertical wind velocity measurements according to the turbulence eddy size to minimize the impacts of gravity wave and eddy size on variance calculations; then, a dynamic threshold method is used to determine MLH. Remotely-sensed PBLHs and MLHs are compared with radiosonde measurements based on the Richardson number method. Good agreements between them confirm that the proposed new algorithms are reliable for PBLH and MLH characterization. The algorithms are applied to warm-season RL and ML measurements at the SGP site for five years to study warm-season PBL structure and processes. The weekly composited diurnal evolutions of PBLHs and MLHs in a warm climate were provided to illustrate diurnal and seasonal PBL evolutions. This reliable data set of PBLH and MLH values will be valuable for studying PBL processes, model evolution, and PBL parameterization improvements. The MLH dataset includes the MLH in values of km above ground level. The PBLH dataset includes the PBLH in values of km above ground level, along with a flag ("situation_PBLH") to determine the state of the PBL (1 = Cloudy Condition, 2 = Stable Layer, 3 = Multi-layer WVMR structure, 4 = Well-Mixed PBL, 5 = A de-coupled layer, 6 = Other).

mixing layer height↗

Automation of Laser Plasma Focused Ion Beam Microscopy for Next-Gen Energy Materials

Automation can revolutionize the use of ultrafast laser ablation and plasma-focused ion beam (PFIB) techniques for high-throughput, reproducible cross-sectioning and various sample preparation in materials characterization. As these methods become essential for analyzing complex energy materials and next-generation devices, efficient, standardized workflows are needed to minimize variability and enhance precision. This work highlights our advancements in developing automated processes for sample preparation that integrates machine learning, workflow optimization, and large-scale data acquisition to improve efficiency and scalability in applications such as electrolyzers, photovoltaic cells, and microelectronics. To streamline cross-sectioning and lamella fabrication, we have implemented fully automated workflows that standardize laser ablation and PFIB milling sequences. These workflows incorporate pre-programmed protocols for material removal, alignment, and thinning, reducing user intervention and ensuring consistency across different sample types. Machine learning algorithms further enhance automation by predicting optimal milling strategies and adapting parameters based on material properties and sectioning requirements. This approach significantly improves throughput while maintaining the structural integrity of prepared samples for high-resolution imaging and analysis, including transmission electron microscopy. Beyond sample preparation, our automation platform enables the acquisition of large, high-resolution datasets through serial sectioning, image alignment, and 3D reconstruction. These automated routines facilitate multi-scale characterization, capturing structural and compositional details from the nanoscale to the device level. By reducing variability and increasing efficiency, our automated approach enhances defect analysis, failure diagnostics, and process optimization, accelerating advancements in materials research and device engineering.

36 MATERIALS SCIENCE↗