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At least 271 records · Page 15

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DOE OSTI2023

Simulations of ocean deoxygenation in the historical era: insights from forced and coupled models

Ocean deoxygenation due to anthropogenic warming represents a major threat to marine ecosystems and fisheries. Challenges remain in simulating the modern observed changes in the dissolved oxygen (O 2 ). Here, we present an analysis of upper ocean (0-700m) deoxygenation in recent decades from a suite of the Coupled Model Intercomparison Project phase 6 (CMIP6) ocean biogeochemical simulations. The physics and biogeochemical simulations include both ocean-only (the Ocean Model Intercomparison Project Phase 1 and 2, OMIP1 and OMIP2) and coupled Earth system (CMIP6 Historical) configurations. We examine simulated changes in the O 2 inventory and ocean heat content (OHC) over the past 5 decades across models. The models simulate spatially divergent evolution of O 2 trends over the past 5 decades. The trend (multi-model mean and spread) for upper ocean global O 2 inventory for each of the MIP simulations over the past 5 decades is 0.03 ± 0.39×10 14 [mol/decade] for OMIP1, -0.37 ± 0.15×10 14 [mol/decade] for OMIP2, and -1.06 ± 0.68×10 14 [mol/decade] for CMIP6 Historical, respectively. The trend in the upper ocean global O2 inventory for the latest observations based on the World Ocean Database 2018 is -0.98×10 14 [mol/decade], in line with the CMIP6 Historical multi-model mean, though this recent observations-based trend estimate is weaker than previously reported trends. A comparison across ocean-only simulations from OMIP1 and OMIP2 suggests that differences in atmospheric forcing such as surface wind explain the simulated divergence across configurations in O 2 inventory changes. Additionally, a comparison of coupled model simulations from the CMIP6 Historical configuration indicates that differences in background mean states due to differences in spin-up duration and equilibrium states result in substantial differences in the climate change response of O 2 . Finally, we discuss gaps and uncertainties in both ocean biogeochemical simulations and observations and explore possible future coordinated ocean biogeochemistry simulations to fill in gaps and unravel the mechanisms controlling the O 2 changes.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Implementation and Verification of Cable Bending Stiffness in MoorDyn: Preprint

Cable bending stiffness capabilities have been added to MoorDyn to enable modeling of dynamic power cables. The relatively large motions experienced by floating wind turbines and wave energy converters pose a challenge for power cables, whose internal components provide significant bending resistance and are sensitive to deformation. The behavior and associated design considerations of power cables in these highly dynamic applications make coupled analysis relevant for design. MoorDyn is a lumped-mass mooring dynamics model that is used for floating wind energy simulation (often coupled with OpenFAST) and floating wave energy converter simulation (often coupled with WEC-Sim). Its existing line elasticity formulation considers axial stiffness only. To properly capture the dynamics of power cables, a cable bending stiffness model has been added that approximates cable curvature based on the difference in tangent vectors of adjacent line elements. The resulting bending moment is realized by applying forces on adjacent nodes, leaving the underlying lumped-mass formulation unchanged. The bending stiffness implementation is verified in static conditions against analytical solutions and then in a dynamic power cable scenario in comparison with OrcaFlex. The dynamic scenario uses prescribed motions and includes wave loadings on the cable. Results indicate correct implementation of bending stiffness and show close agreement with OrcaFlex.

50 EE - Wind and Water Power Program - Water (EE-4↗

DOE OSTI2020

Passivating Nucleobases Bring Charge Transfer Character to Optically Active Transitions in Small Silver Nanoclusters

DNA-wrapped silver nanoclusters (DNA–AgNCs) are known for their efficient luminescence. However, their emission is highly sensitive to the DNA sequence, the cluster size, and its charge state. To get better insights into photophysics of these hybrid systems, simulations based on density functional theory (DFT) are performed. Our calculations elucidate the effect of the structural conformations, charges, solvent polarity, and passivating bases on optical spectra of DNA–AgNCs containing five and six Ag atoms. It is found that inclusion of water in calculations as a polar solvent media results in stabilization of nonplanar conformations of base-passivated clusters, while their planar conformations are more stable in vacuum, similar to the bare Ag5 and Ag6 clusters. Cytosines and guanines interact with the cluster twice stronger than thymines, due to their larger dipole moments. In addition to the base–cluster interactions, hydrogen bonds between bases notably contribute to the structure stabilization. While the relative intensity, line width, and the energy of absorption peaks are slightly changing depending on the cluster charge, conformations, and base types, the overall spectral shape with five well-resolved bands at 2.5–5.5 eV is consistent for all structures. Independent of the passivating bases and the cluster size and charge, the low energy optical transitions at 2.5–3.5 eV exhibit a metal to ligand charge transfer (MLCT) character with the main contribution emerging from Ag-core to the bases. Cytosines facilitate the MLCT character to a larger degree comparing to the other bases. However, the doublet transitions in clusters with the open shell electronic structure (Ag5 and Ag6 + ) result in appearance of additional red-shifted (<2.5 eV) and optically weak band with negligible MLCT character. The passivated clusters with the closed shell electronic structure (Ag5 + and Ag6) exhibit higher optical intensity of their lowest transitions with much higher MLCT contribution, thus having better potential for emission, than their open shell counterparts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

End-To-End Decentralized Transmission Line Protection in IBR-Dominated Weak Grids Using Interpretable Data-Driven Methods

Traditional transmission line protection relies on predictable synchronous-based fault signatures, which frequently fail under the non-standard, current-limited fault characteristics of Inverter-Based Resources (IBRs). This study investigates how to achieve secure, communication-free fault isolation in IBR-dominated weak grids without relying on opaque, computationally heavy "black-box" machine learning algorithms. To address this, we propose a novel, standalone, and inherently interpretable data-driven protection framework. Unlike centralized methods requiring multi-terminal communication, this decentralized approach relies solely on local measurements using a hierarchical linear-kernel Support Vector Machine (SVM). The methodology decomposes the protection task into four sequential stages that mimic traditional protection elements: fault detection and fault direction identification, fault type classification, zone classification, and location estimation. This multi-stage architecture allows for specialized feature engineering at each stage, combining high computational efficiency with logic traceability. The framework's end-to-end performance was validated via C-code and PSCAD/EMTDC co-simulation, utilizing a real-world utility network and an OEM black-box IBR model. The proposed relay achieves 97.2% overall accuracy and provides a reliable trip decision within a 2.5-cycle window. The results confirm 100% accuracy in fundamental fault detection, reliable zone selectivity across low to moderate fault resistances, and robust security against non-fault transients, proving its immediate viability for integration into commercial numerical relays.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2021

A Cooperative Game Theory-based Approach to Under-frequency Load Shedding Control

This paper proposes a cooperative game theory-based under-frequency load shedding (UFLS) approach for frequency stability and control in power systems. UFLS is a crucial factor for frequency stability and control especially in power grids with high penetration of renewable energy sources and restructured power systems. Conventional UFLS methods, most of which are off-line, usually shed fixed amounts of predetermined loads based on a predetermined schedule which can lead to over or under curtailment of load. This paper presents a co-operative game theory-based two-stage strategy to effectively and precisely determine locations and amounts of loads to be shed for UFLS control. In the first stage, the total amount of loads to be shed, also referred to as deficit in generation or the disturbance power, is computed using the initial rate of change of frequency (ROCOF) referred to the equivalent inertial center. In the second stage, the Shapley value, one of the solution concepts of cooperative game theory, is used to determine load shedding amounts and locations. The proposed method is implemented on the reduced 9-bus 3-machine Western Electricity Coordinating Council (WECC) system and simulated on Real-time Digital Simulators (RTDS). The results show that the proposed UFLS approach can effectively return the system to normal state after disturbances.

42 ENGINEERING↗

DOE OSTI2026

Studying the Impact of Momentary Cessation of IBRs Compliant With IEEE Std. 2800-2022 on Transmission Line Protection Elements

This paper examines the impact of inverter-based resource (IBR) momentary cessation timing on transmission system protection relays. IEEE Std. 2800 mandates voltage ride-through, requiring IBRs to remain online during voltage disturbances. However, for severe voltage dips (|V| = 0.1 p.u.), the standard permits current blocking. In practice, vendors implement momentary cessation with varying delays, potentially affecting relay operation if IBRs cease too early. This article studies the impact of the time IBRs enter momentary cessation on transmission line protective relays. Using an electromagnetic transient (EMT) simulation, this study models IBR momentary cessation with tunable delays in a realistic transmission network. COMTRADE files generated from EMT simulations are analyzed in MATLAB using detailed protective relay models. Results indicate that IBRs must sustain operation for at least one cycle to ensure proper relay response; otherwise, relays may fail to oper- ate. These findings guide IBR vendors in optimizing momentary cessation settings to enhance transmission line protection.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2026

Decoding α-MoC 1− x Nanoparticle Formation in Continuous Flow via Machine Learning

Molybdenum carbide nanoparticles (α-MoC 1−x NPs) are promising catalysts that offer noble-metal-like performance at lower cost. We report a mild continuous-flow synthesis of α-MoC 1−x NPs from Mo(CO) 6 , coupled with in-line spectroscopic monitoring and machine learning (ML)-based analysis to quantify precursor conversion and product formation in real time. A multilayer perceptron ML model was found to accurately deconvolute complex, nonlinear spectral patterns, enabling identification of a two-step reaction pathway, involving precursor conversion to an amorphous intermediate followed by intraparticle crystallization to α-MoC 1−x NPs, with the first step being rate limiting. Ex situ small angle X-ray scattering (SAXS) and X-ray diffraction (XRD) validation confirm the predicted concentration profiles and crystallization behavior. This integrated approach showcases how ML can empower insights into NP nucleation and growth, paving the way for self-driving, flow-based platforms for NP synthesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Structural characterization and biological activity of an α-glucan from the mollusk Marcia hiantina (Lamarck, 1818)

Marcia hiantina (Mollusca, Bivalvia) (Lamarck, 1818), is an edible clam mainly distributed along the tropical coastal regions. Recent researches have demonstrated that clams can possess compounds, including polysaccharides, with a wide range of biological actions including antioxidant, immunomodulatory and antitumor activities. Here an α-glucan was isolated from M. hiantina by hot water, purified by anion exchange chromatography, and its structure was characterized by a combination of multiple nuclear magnetic resonance (NMR) methods (1D 1 H, 1 H- 1 H COSY, 1 H- 1 H TOCSY, 1 H- 1 H NOESY, 1 H- 13 C HSQC and 1 H- 13 C HSQC-NOESY spectra), gas chromatography-mass spectrometry, and high performance size exclusion chromatography (HPSEC). The analysis from NMR, monosaccharide composition, methylation analyses and HPSEC combined with multi angle light scattering (MALS) of M. hiantina-derived α-glycan confirmed a branched polysaccharide exclusively composed of glucose (Glc), mostly 4-linked in its backbone, branched occasionally at 6-positions, and having a molecular weight of ~ 570 kDa. The mollusk α-glucan was subjected to four cell-based assays: (i) viability of three cell lines (RAW264.7, HaCaT, and HT-29), (ii) activity on lipopolysaccharide (LPS)-induced prostaglandin production in RAW264.7 cells, (iii) inhibitory activities of in H 2 O 2 - and LPS-induced reactive oxygen species (ROS) production in HMC3 cells, and (iv) HaCaT cell proliferation. Furthermore, results have indicated no cytotoxicity, potent inhibition of both H 2 O 2 - and LPS-induced ROS, and potent cell proliferative activity.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Epoxy IR Filters for Superconducting Resonators

Infrared radiation leakage through dielectrics in coaxial cabling can create unwanted quasiparticles in superconducting resonators if allowed to reach devices unattenuated. Modern experimental setups commonly incorporate epoxy-based filter blocks on readout and control lines in order to mitigate this effect; however, most of these multi-channel designs require specialized mounting hardware. Here, this investigation details the design and construction of single-channel inline infrared filters, and finds that their installation in the readout system for an aluminum resonator increased its quality factor by an average of 12% across a range of operating temperatures and powers. The option to incorporate general-purpose inline filters instead of designing custom filter blocks and mounts should prove more convenient for many newer experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Real-time estimation and control of divertor surface heat flux on the DⅢ-D tokamak

We report Future tokamaks will require robust technologies for the mitigation of heat exhaust onto the plasma-facing components. As a first step towards this development, a system has been developed at DIII-D that estimates and controls in real-time the heat flux to the PFCs. Real-time estimation of the peak power flux from this model-based approach is validated with off-line infra-red measurements for various DIII-D plasma discharges. A nonlinear free-boundary simulation code (GSevolve) is used for simulating the closed loop response and for the off-line determination of the control parameters. The implementation and first experimental results of the application during the DIII-D plasma campaign are reported.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

A topological approach to magnetic nulls

Magnetic nulls are locations where the magnetic field vanishes. They determine to a large degree the magnetic connectivity in a system, and are sites of magnetic reconnection. We describe a novel approach to understanding movement, appearance, and disappearance of nulls in magnetic fields. This approach is based on the concept of isotropes, or lines where the field direction is constant. These lines are streamlines of a vector field whose flux is sourced by the topological indices of nulls, and can be conceptualized as corresponding to ‘lines of force’ between nulls. We show how this topological approach can be used to generate analytical expressions for the location of nulls in the presence of external fields for dipoles and for a field defined by the Hopf fibration.

magnetic null↗

DOE OSTI2025

Operation of the trigger system for the ICARUS detector at Fermilab

The ICARUS liquid argon TPC detector is taking data on the Booster (BNB) and Main Injector (NuMI) Neutrino beam lines at Fermilab with a trigger system based on the scintillation light produced by charged particles in coincidence with the proton beam extraction from the accelerators. The architecture and the deployment of the trigger system in the first two runs for physics are presented, as well as the triggered event rates. The event recognition efficiency has been evaluated as a function of the deposited energy and the position of cosmic muons stopping inside the detector.

Neutrino detectors↗

DOE OSTI2025

Scalable edge clustering of dynamic graphs via weighted line graphs

Timestamped relational datasets consisting of records (or connections) between pairs of entities are ubiquitous in network science. For applications like peer-to-peer communication, email, various social network interactions, and computer network security, it is useful to organize these records into groups based on how and when they are occurring. Weighted line graphs offer a natural way to model how records are related in such datasets but for large real-world graph topologies, building and utilizing the line graph is prohibitively expensive. Here, we present the framework to cluster the edges of a dynamic graph via the associated line graph that contains two major contributions. The first is a method to work with the line graph implicitly and the second is a distributed scale implementation of an agglomerative hierarchical graph clustering algorithm. We outline a novel hierarchical dynamic graph edge clustering approach that efficiently breaks massive relational datasets into small sets of edges containing events at various timescales. This is in stark contrast to traditional graph clustering algorithms that prioritize highly connected (clique-like) community structures. Our approach relies on constructing a sufficient subgraph of a weighted line graph and applying a hierarchical agglomerative clustering. This approach is related to scalable techniques from spatial clustering, nonlinear-dimension reduction, topological data analysis, and draws particular inspiration from HDBSCAN. As an edge clustering, this method yields an overlapping node clustering. Our algorithm is parallelizable and we demonstrate efficient clustering of a billion-scale, real-world dynamic graph into small edge sets that correlate in topology and time. The entire clustering process for a graph with tens of billions of edges takes just a few minutes of run time on 256 nodes of a distributed compute environment. We argue how the output of the edge clustering is useful for a multitude of data visualization and powerful machine learning tasks, both involving the original massive dynamic graph data and metadata associated with the nodes and edges. Finally, we describe how this approach can be extended to dynamic hypergraphs and dynamic graphs/hypergraphs with unstructured data living on vertices and edges.

Data Analysis↗

DOE OSTI2025

On-chip pulse shaping of entangled photons

The miniaturization of optical systems via integrated photonics is critical to the ultimate scalability and performance of photonic quantum processors, yet many longstanding optical signal processing capabilities—such as Fourier-transform pulse shaping—remain unrealized on chip. In this work, we demonstrate on-chip spectral shaping of entangled photons using a multichannel microring-resonator-based silicon photonic pulse shaper. Achieving line-by-line phase control on a 3 GHz grid for two frequency-bin-entangled qudits, the pulse shaper's fine spectral resolution enables control of nanosecond-scale temporal features, which are observed by direct coincidence detection of biphoton correlation functions that show excellent agreement with theory. This work marks a demonstration of biphoton pulse shaping using an integrated spectral shaper and holds significant promise for applications in photonic quantum information processing.

Entanglement manipulation↗

DOE OSTI2021

On the Performance of Tree-Based Antennas for SLF-VLF Signal Reception

A full-wave electromagnetic simulation and experimental study is carried out to explore the effects of tree-induced dielectric loading on the receiving properties of an electrically small, earth-grounded wire monopole. It is demonstrated that by connecting the upper end of the wire to the tree trunk, the input impedance of the monopole can be significantly transformed, leading to an enhancement in the received signal strength that becomes more noticeable as the frequency is decreased; for example, at the lowest frequency considered, it is seen that the tree-loaded antenna can increase the received load voltage by as much as ~40 dB, when compared to the case without tree loading. An application of the tree-based antenna for low-frequency power line signal monitoring is presented. Overall, simulation results for the input impedance and received signal response are in good agreement with measurement data.

Liao, DaHan↗

DOE OSTI2021

Plateau Phenomenon in Gradient Descent Training of RELU Networks: Explanation, Quantification, and Avoidance

The ability of neural networks to provide ‘best in class’ approximation across a wide range of applications is well-documented. Nevertheless, the powerful expressivity of neural networks comes to naught if one is unable to effectively train (choose) the parameters defining the network. In general, neural networks are trained by gradient descent type optimization methods,a stochastic variant thereof. In practice, such methods result in the loss function decreases rapidly at the beginning of training but then, after a relatively small number of steps, significantly slow down. The loss may even appear to stagnate over the period of a large number of epochs, only to then suddenly start to decrease fast again for no apparent reason. This so-called plateau phenomenon manifests itself in many learning tasks. The present work aims to identify and quantify the root causes of plateau phenomenon.analysis is carried out in the setting of univariate ReLU networks. No assumptions are made on the number of neurons relative to the number of training data, and our results hold for both the lazy and adaptive regimes. Here, the main findings are: plateaux correspond to periods during which activation patterns remain constant, where activation pattern refers to the number of data points that activate a given neuron; quantification of convergence of the gradient flow dynamics; and, characterization stationary points in terms solutions of local least squares regression lines over subsets of the training data. Based on these conclusions, we propose a new iterative training method, the Active Neuron Least Squares (ANLS), characterised by the explicit adjustment of the activation pattern at each step, which is designed to enable a quick exit from a plateau. Illustrative numerical examples are included throughout.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Neutrino Tridents in the NOvA Near Detector

NOvA is a long-baseline neutrino oscillation experiment based at Fermilab that uses theNuMI beam line and two detectors to measure neutrino rates at a near location, and 810 km away at a far location.The detectors are made from PVC extrusions which segment the volume in to 4x6 cm cells which alternate orientations to provide 3D tracking of particles in the detector.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Evaluation of Programming Language-Aware Diffs for Improving Developer Productivity

As the number of supported platforms for SNL software increases, so do the testing requirements. This increases the total time spent between when a developer submits code for testing, and when tests are completed. This in turn leads developers to hold off submitting code for testing, meaning that when code is ready for testing there's a lot more of it. This increases the likelihood of merge conflicts which the developer must resolve by hand -- because someone else touched the files near the lines the developer touched. Current text-based diff tools often have trouble resolving conflicts in these cases. Work in Europe and Japan has demonstrated that, using programming language aware diff tools (e.g., using the abstract syntax tree (AST) a compiler might generate) can reduce the manual labor necessary to resolve merge conflicts. These techniques can detect code blocks which have moved, as opposed than current text-based diff tools, which only detect insertions / deletions of text blocks. In this study, we evaluate one such tool, GumTree, and see how effective it is as a replacement for traditional text-based diff approaches.

97 MATHEMATICS AND COMPUTING↗