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At least 505 records · Page 28

Quantifying the Known Unknown: Including Marine Sources of Greenhouse Gases in Climate Modeling

Researchers have recently estimated that Arctic submarine permafrost currently traps 60 billion tons of methane and contains 560 billion tons of organic carbon in seafloor sediments and soil, a giant pool of carbon with potentially large feedbacks on the climate system. Unlike terrestrial permafrost, the submarine permafrost system has remained a “known unknown” because of the difficulty in acquiring samples and measurements. Consequently, this potentially large carbon stock never yet considered in global climate models or policy discussions, represents a real wildcard in our understanding of Earth’s climate. This report summarizes our group’s effort at developing a numerical modeling framework designed to produce a first-of-its-kind estimate of Arctic methane gas releases from the marine sediments to the water column, and potentially to the atmosphere, where positive climate feedback may occur. Newly developed modeling capability supported by the Laboratory Directed Research and Development (LDRD) program at Sandia National Laboratories now gives us the ability to probabilistically map gas distribution and quantity in the seabed by using a hybrid approach of geospatial machine learning, and predictive numerical thermodynamic ensemble modeling. The novelty in this approach is its ability to produce maps of useful data in regions that are only sparsely sampled, a common challenge in the Arctic, and a major obstacle to progress in the past. By applying this model to the circum-Arctic continental shelves and integrating the flux of free gas from in situ methanogenesis and dissociating gas hydrates from the sediment column under climate forcing, we can provide the most reliable estimate of a spatially and temporally varying source term for greenhouse gas flux that can be used by global oceanographic circulation and Earth system models (such as DOE’s E3SM). The result will allow us to finally tackle the wildcard of the submarine permafrost carbon system, and better inform us about the severity of future national security threats that sustained climate change poses.

54 ENVIRONMENTAL SCIENCES↗

Reimagining Energy Efficiency Resource Standards

Energy Efficiency Resource Standards (EERS) are a long-standing policy used to advance state goals and priorities, such as reliability, affordability and decarbonization. They ensure cost-effective energy efficiency is used to lower energy consumption, reduce peak demand, and enable grid flexibility. Adapting EERS through strategic design, and integrating EERS into broader energy plans and policies, can help states optimize their approach to meet modern and evolving power system needs and achieve sustainable energy outcomes. This report examines how states consider energy efficiency in the context of four policy priorities: providing grid benefits, addressing load growth, reducing emissions, and promoting affordability. It provides examples of states that are pursuing these priorities, reviews the role of energy efficiency in them and identifies opportunities to further promote energy efficiency alongside the priorities. Decisionmakers and stakeholders can draw directly from these examples and findings to design an EERS that maximizes co-benefits, captures synergies, and promotes consideration of the all the possible solutions to advance their goals.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Today's Energy Challenges, Tomorrow's Solutions: Integrated Energy Pathways: Modernizing Our Energy Systems

Integrated Energy Pathways Today's electric grid was built for century-old needs, not the needs of tomorrow's emerging system. As the cost of generating electricity falls, products and systems that previously operated on other types of fuels are becoming increasingly "electrified." Instead of a one-way flow of electricity to systems that operate independently from one another, we are seeing more bi-directional connectivity between the grid and multiple end points. Integrated Energy Systems require a fundamental rethinking of grid infrastructure and the path electricity takes from the source of generation to the end point of use. Inevitably, the way the grid is managed today won't be the way it is managed 10-15 years from now. NREL is pioneering the fundamental research needed to guide this transition through renewable energy fuels and low-carbon electricity generation. Working with industry partners, we can collaboratively develop a fresh approach to energy generation, security, resilience, and advanced mobility.

energy security↗

The connectome of the adult Drosophila mushroom body provides insights into function

Making inferences about the computations performed by neuronal circuits from synapse-level connectivity maps is an emerging opportunity in neuroscience. The mushroom body (MB) is well positioned for developing and testing such an approach due to its conserved neuronal architecture, recently completed dense connectome, and extensive prior experimental studies of its roles in learning, memory, and activity regulation. Here, we identify new components of the MB circuit in Drosophila , including extensive visual input and MB output neurons (MBONs) with direct connections to descending neurons. We find unexpected structure in sensory inputs, in the transfer of information about different sensory modalities to MBONs, and in the modulation of that transfer by dopaminergic neurons (DANs). We provide insights into the circuitry used to integrate MB outputs, connectivity between the MB and the central complex and inputs to DANs, including feedback from MBONs. Our results provide a foundation for further theoretical and experimental work.

Li, Feng↗

Holistic energy analysis method for thermal management architectures of data centers

Modern high-performance computing (HPC) data centers (DCs), particularly those supporting energy-intensive artificial intelligence (AI) workloads, face escalating thermal management challenges that degrade performance through thermal throttling and drive up cooling power consumption and operational costs. To address this challenge, many have developed a wide variety of thermal management solutions (single-phase, two-phase, direct, indirect, hybrid, and more) which attempt to cool HPC DCs effectively while attempting to minimize overall system power consumption. However, the analysis of these solutions and methods to effectively compare one with another is lacking. Overall power usage effectiveness (PUE) and total-power usage effectiveness (TUE) provide a metric to quantify power consumption but fail to identify components in the system which require further optimization. To address this, we propose a holistic analytical framework – the waterfall diagram (WFD) – which leverages a waterfall chart methodology, offering a comprehensive visualization of both the thermal management system loop and heat flow pathways from individual server components to the outdoor ambient. Use of the WFD enables graphical estimations of power efficiency and cooling performance across each component of a DC cooling system and complements Sankey-style energy flow visualizations by additionally resolving stage-wise temperature changes and incremental TUE contributions. The framework is used in conjunction with simulation-based approaches, to conduct a detailed pressure drop and flow distribution analysis aimed at identifying the optimal coolant distribution architecture for a single-phase direct-to-chip water-cooled DC, which serves as the baseline for subsequent WFD analysis. Among the evaluated architectures, the 3 U modular coolant distribution architecture is found to demonstrate the best performance, considering minimal pressure drop and uniform flow distribution. In addition, TUE is calculated for each cooling loop component based on its associated pressure drop and corresponding pumping power, which are integrated into the WFD. This correlation between TUE and local temperature offers immediate insight into the power efficiency and thermal performance contributions of individual components, facilitating further development and optimization. Examples of WFD applications are presented under varying thermal loads and ambient conditions, demonstrating reasonable cooling strategies. Notably, the 3 U modular architecture maintains a consistent chip case temperature of 85°C, achieving a TUE of 1.016 at ambient temperature of 47°C, and a TUE of 1.026 at ambient temperature of 52°C. The WFD methodology provides an efficient, holistic, and streamlined framework for DC thermal management architecture assessment and enables design optimization which is important for addressing the thermal-fluidic energy challenges of current and next-generation DCs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

The structural and functional integrities of porcine myocardium are mostly preserved by cryopreservation

Structural and functional studies of heart muscle are important to gain insights into the physiological bases of cardiac muscle contraction and the pathological bases of heart disease. While fresh muscle tissue works best for these kinds of studies, this is not always practical to obtain, especially for heart tissue from large animal models and humans. Conversely, tissue banks of frozen human hearts are available and could be a tremendous resource for translational research. It is not well understood, however, how liquid nitrogen freezing and cryostorage may impact the structural integrity of myocardium from large mammals. In this study, we directly compared the structural and functional integrity of never-frozen to previously frozen porcine myocardium to investigate the consequences of freezing and cryostorage. X-ray diffraction measurements from hydrated tissue under near-physiological conditions and electron microscope images from chemically fixed porcine myocardium showed that prior freezing has only minor effects on structural integrity of the muscle. Furthermore, mechanical studies similarly showed no significant differences in contractile capabilities of porcine myocardium with and without freezing and cryostorage. These results demonstrate that liquid nitrogen preservation is a practical approach for structural and functional studies of myocardium.

59 BASIC BIOLOGICAL SCIENCES↗

Self-Organizing Map-Based Resilience Quantification and Resilient Control of Distribution Systems Under Extreme Events

Due to climate change, extreme weather events are occurring more frequently and with increasing impact. This trend poses a significant challenge for distribution system operators (DSO) to ensure that there is uninterrupted power supply to critical loads in their networks. To embed resilience into DSO's decision-making, resilience needs to be first quantified and then integrated into the system-level optimization. Therefore, this paper first develops a novel self-organizing map (SOM) based method (called SomRes) to quantify the time-varying resilience index of a system that can leverage the powerful classification property of SOMs and removes some of the disadvantages of subjective weight assignment methods. Using SomRes, a resilient resource allocation and operational dispatch algorithm is further developed to enhance system resilience against extreme events by considering the SomRes resilience index directly as the feedback. Here, the proposed resilience quantification approach is benchmarked with a state-of-the-art approach and the efficacy of the proposed resilient dispatch algorithm is demonstrated through several deterministic and statistical case studies on the IEEE 123-bus distribution system. Simulation studies show that the proposed SomRes quantification method is an appropriate indicator of system resilience, and the resilient resource allocation and dispatch strategy can significantly reduce critical load shedding under varying event propagation scenarios.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Toward quantum networking with frequency-bin qudits

Quantum networking holds tremendous promise in transforming computation and communication. Entangled-photon sources are critical for quantum repeaters and networking, while photonic integrated circuits are vital for miniaturization and scalability. In this talk, we focus on generating and manipulating frequency-bin entangled states within integrated platforms. We encode quantum information as a coherent superposition of multiple optical frequencies; this approach is favorable due to its amenability to high-dimensional entanglement and compatibility with fiber transmission. We successfully generate and measure the density matrix of biphoton frequency combs from integrated silicon nitride microrings, fully reconstructing the state in an 8 × 8 two-qudit Hilbert space, the highest so far for frequency bins. Moreover, we employ Vernier electro-optic phase modulation methods to perform time-resolved measurements of biphoton correlation functions. Currently, we are exploring bidirectional pumping of microrings to generate indistinguishable entangled pairs in both directions, aiming to demonstrate key networking operations such as entanglement swapping and Greenberger–Horne–Zeilinger state generation in the frequency domain.

Myilswamy, Karthik V.↗

Sensing Modalities Deployed - Acoustic

Acoustic approaches to OLM are based on analyzing changes in various forms of pressure waves propagating in solids, fluids or gases. These pressure waves can vary in frequency content from infrasound (seismic events) to the megahertz region (acoustic emissions). A wide variety of commercially available pressure or stain sensing devices are used to make acoustic measurements. These sensors differ in the transduction mechanism used to convert the pressure or strain signal to an electrical output, the sensitivity, dynamic range, bandwidth, directional characteristics, and physical size. All acoustic sensors must be integrated with signal conditioning electronics to convert the sensors’ analog output to discrete digital signals that can then be further analyzed for OLM. Ultimately, the sensing properties listed above will be a function of the sensor transduction mechanism, the sensor design and the conditioning electronics.

47 OTHER INSTRUMENTATION↗

Entropy Pair Functional Theory: Direct Entropy Evaluation Spanning Phase Transitions

We prove that, within the class of pair potential Hamiltonians, the excess entropy is a universal, temperature-independent functional of the density and pair correlation function. This result extends Henderson’s theorem, which states that the free energy is a temperature dependent functional of the density and pair correlation. The stationarity and concavity of the excess entropy functional are discussed and related to the Gibbs–Bugoliubov inequality and to the free energy. We apply the Kirkwood approximation, which is commonly used for fluids, to both fluids and solids. Approximate excess entropy functionals are developed and compared to results from thermodynamic integration. The pair functional approach gives the absolute entropy and free energy based on simulation output at a single temperature without thermodynamic integration. We argue that a functional of the type, which is strictly applicable to pair potentials, is also suitable for first principles calculation of free energies from Born–Oppenheimer molecular dynamics performed at a single temperature. In conclusion, this advancement has the potential to reduce the evaluation the free energy to a simple modification to any procedure that evaluates the energy and the pair correlation function.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Prediction of Silicon Content in a Blast Furnace via Machine Learning: A Comprehensive Processing and Modeling Pipeline

Silicon content plays an important role in determining the operational efficiency of blast furnaces (BFs) and their downstream processes in integrated steelmaking; however, existing sampling methods and first-principles models are somewhat limited in their capability and flexibility. Current data-based prediction models primarily rely on a limited set of manually selected furnace parameters. Additionally, different BFs present a diverse set of operating parameters and state variables that are known to directly influence the hot metal’s silicon content, such as fuel injection, blast temperature, and raw material charge composition, among other process variables that have their own impacts. The expansiveness of the parameter set adds complexity to parameter selection and processing. This highlights the need for a comprehensive methodology to integrate and select from all relevant parameters for accurate silicon content prediction. Providing accurate silicon content predictions would enable operators to adjust furnace conditions dynamically, improving safety and reducing economic risk. To address these issues, a two-stage approach is proposed. First, a generalized data processing scheme is proposed to accommodate diverse furnace parameters. Second, a robust modeling pipeline is used to establish a machine learning (ML) model capable of predicting hot metal silicon content with reasonable accuracy. The method employed herein predicted the average Si content of the upcoming furnace cast with an accuracy of 91% among 200 target predictions for a specific furnace provisioned by the XGBoost model. This prediction is achieved using only the past shift’s operating conditions, which should be available in real time. This performance provides a strong baseline for the modeling approach with potential for further improvement through provision of real-time features.

Chemistry↗

A surrogate-model-based approach for estimating the first and second-order moments of offshore wind power

Power curve, the functional relationship that governs the process of converting a set of weather variables experienced by a wind turbine into electric power, is widely used in the wind industry to estimate power output for planning and operational purposes. Existing methods for power curve estimation have three main limitations: (i) they mostly rely on wind speed as the sole input, thus ignoring the secondary, yet possibly significant effects of other environmental factors, (ii) they largely overlook the complex marine environment in which offshore turbines operate, potentially compromising their value in offshore wind energy applications, and (ii) they solely focus on the first-order properties of wind power, with little (or null) information about the variation around the mean behavior, which is important for ensuring reliable grid integration, asset health monitoring, and energy storage, among others. In light of that, this study investigates the impact of several wind-and wave-related factors on offshore wind power variability, with the ultimate goal of accurately predicting its first two moments. Further, our approach couples OpenFAST—a multi-physics wind turbine simulator—with Gaussian Process (GP) regression to reveal the underlying relationships governing offshore weather-to-power conversion. We first find that a multi-input power curve which captures the combined impact of wind speed, direction, and air density, can provide double-digit improvements, in terms of prediction accuracy, relative to univariate methods which rely on wind speed as the sole explanatory variable (e.g. the standard method of bins). Wave-related variables are found not important for predicting the average power output, but interestingly, appear to be extremely relevant in describing the fluctuation of the offshore power around its mean. Tested on real-world data collected at the New York/New Jersey bight, our proposed multi-input models demonstrate a high explanatory power in predicting the first two moments of offshore wind generation, testifying their potential value to the offshore wind industry.

17 WIND ENERGY↗

Krylov complexity in mixed phase space

We investigate the Krylov complexity of thermofield double states in systems with mixed phase space, uncovering a direct correlation with the Brody distribution, which interpolates between Poisson and Wigner statistics. Our analysis spans two-dimensional random matrix models featuring (I) GOE-Poisson and (II) GUE-Poisson transitions and extends to higher-dimensional cases, including a stringy matrix model (GOE-Poisson) and the mass-deformed SYK model (GUE-Poisson). Krylov complexity consistently emerges as a reliable marker of quantum chaos, displaying a characteristic peak in the chaotic regime that gradually diminishes as the Brody parameter approaches zero, signaling a shift toward integrability. These results establish Krylov complexity as a powerful diagnostic of quantum chaos and highlight its interplay with eigenvalue statistics in mixed phase systems.

chaos & nonlinear dynamics↗

A Knowledge Graph Approach to Analyze Systems and Assets Health

Nuclear power plants collect large amounts of equipment reliability data elements that contain information on the statuses of component, assets, and systems. All these data elements precisely record asset and system performance and health throughout the lifecycle of those assets and systems. However, several challenges have proved to be roadblocks to this process. While some of these challenges are technical in nature (i.e., data are often distributed over several physical servers or databases), others are conceptual in nature (i.e., data elements come in different formats, numeric or textual), and measured values have different scales (e.g., vibration spectra and oil temperature). This paper directly focuses on the integration of numeric and textual data elements in order to assist plant system engineers in analyzing equipment reliability data. This task begins with preprocessing the data by extracting knowledge from textual data via natural language processing methods and quantifying system, asset, and component health based on numeric data. We then employed model-based system engineering (MBSE) models of systems and assets to identify their architecture and functional (i.e., cause and effect) relations. Data elements were then associated with a single MBSE graph element, based on their nature. This bonding of MBSE models and data elements constitutes a first-of-its-kind knowledge graph of a nuclear power plants system, with data elements being organized in a structured manner that enables system engineers to identify cause-effect trends in data elements and carry out appropriate actions in response.

97 - MATHEMATICS AND COMPUTING↗

A highly proton conductive perfluorinated covalent triazine framework via low-temperature synthesis

Proton-conducting materials are essential to the emerging hydrogen economy. Covalent triazine frameworks (CTFs) are promising proton-conducting materials at high temperatures but need more effective sites to strengthen interaction for proton carriers. However, their construction and design in a concise condition are still challenges. Herein, we show a low temperature approach to synthesize CTFs via a direct cyclotrimerization of aromatic aldehyde using ammonium iodide as facile nitrogen source. Among the CTFs, the perfluorinated CTF (CTF-TF) was successfully synthesized with much lower temperature ( ≤ 160 °C) and open-air atmosphere. Due to the additional hydrogen-bonding interaction between fluorine atoms and proton carriers (H 3 PO 4 ), the CTF-TF achieves a proton conductivity of 1.82 × 10 -1 S cm -1 at 150 °C after H 3 PO 4 loading. Moreover, the CTF-TF can be readily integrated into mixed matrix membranes, displaying high proton conduction abilities and good mechanical strength. This work provides an alternative strategy for rational design of proton conducting media.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Polymer-based microfluidic device for on-chip counter-diffusive crystallization and in situ X-ray crystallography at room temperature

Proteins are long chains of amino acid residues that perform a myriad of functions in living organisms, including enzymatic reactions, signalling, and maintaining structural integrity. Protein function is determined directly by the protein structure. X-ray crystallography is the primary technique for determining the 3D structure of proteins, and facilitates understanding the effects of protein structure on function. The first step towards structure determination is crystallizing the protein of interest. We have developed a centrifugally-actuated microfluidic device that incorporates the fluid handling and metering necessary for protein crystallization. Liquid handling takes advantage of surface forces to control fluid flow and enable metering, without the need for any fluidic or pump connections. Our approach requires only the simple steps of pipetting the crystallization reagents into the device followed by either spinning or shaking to set up counter-diffusive protein crystallization trials. The use of thin, UV-curable polymers with a high level of X-ray transparency allows for in situ X-ray crystallography, eliminating the manual handling of fragile protein crystals and streamlining the process of protein structure analysis. We demonstrate the utility of our device using hen egg white lysozyme as a model system, followed by the crystallization and in situ, room temperature structural analysis of the hub domain of calcium–calmodulin dependent kinase II (CaMKIIβ).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

White Paper: Scalable Digital Twin Capabilities for Aging and Surveillance of Engineered Systems

This white paper presents a multi-year initiative to develop practical, secure, and scalable digital twin capabilities for engineered systems in aging and surveillance contexts—an approach pioneered at the National Nuclear Security Administration (NNSA) Lawrence Livermore National Laboratory (LLNL) that maps directly onto the needs and ambitions of the Navy for ship- and fleet-level digital twins. LLNL’s work in building part- and process-level digital twins for advanced manufacturing, with a vision to scale up to entire factory floors and, ultimately, enterprise-wide digital twins, offers an adaptable pathway for the Navy as it seeks to modernize lifecycle management, readiness, and predictive maintenance across ships and fleets. For our application, we integrate physics-based modeling with automated data ingestion, processing, and AI-driven calibration, creating hybrid models that are both interpretable and data responsive. We modernized legacy workflows, established centralized data infrastructure, automated experimental pipelines, and demonstrated end-to-end coupling of accelerated aging data with finite element simulations via optimization and surrogate modeling. The result is a generalizable framework that supports part-level digital twins today and lays the groundwork for future system-level twins suitable for Navy applications.

36 MATERIALS SCIENCE↗

Quantum information approach to high energy interactions

High energy hadron interactions are commonly described by using a probabilistic parton model that ignores quantum entanglement present in the light-cone wave functions. Here, we argue that since a high energy interaction samples an instant snapshot of the hadron wave function, the phases of different Fock state wave functions cannot be measured—therefore the light-cone density matrix has to be traced over these unobservable phases. Performing this trace with the corresponding U(1) Haar integration measure leads to ‘Haar scrambling’ of the density matrix, and to the emergence of entanglement entropy. This entanglement entropy is determined by the Fock state probability distribution, and is thus directly related to the parton structure functions. As proposed earlier, at large rapidity η the hadron state becomes maximally entangled, and the entanglement entropy is S E ~η according to QCD evolution equations. When the phases of Fock state components are controlled, for example in spin asymmetry measurements, the Haar average cannot be performed, and the probabilistic parton description breaks down.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗