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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 217 records · Page 12

Comparative Analysis of Model Predictive Control and MPC-Informed Rule-Based Control for Thermal Storage Operation in Ultra-Low Temperature 4th Generation District Heating Networks

The integration of thermal storage and heat pumps in district heating networks (DHNs) can significantly enhance operational flexibility and energy efficiency; however, the practical deployment of advanced control strategies is often hindered by forecasting requirements and computational complexity. This study presents a comparative analysis of thermal storage control strategies in an ultra-low-temperature fourth-generation DHN, focusing on the development of a simplified rule-based control (RBC) explicitly informed by Model Predictive Control (MPC) behavior. The proposed methodology systematically analyzes the charging and discharging decisions of an MPC-controlled system under ideal forecasting conditions and extracts recurrent control patterns as a function of key system variables, including outdoor temperature, thermal demand, and electricity price. These patterns are translated into a set of structured time- and condition-based rules, resulting in an MPC-informed RBC that embeds predictive insights while preserving implementation simplicity and operational transparency. The approach is validated on a realistic mixed-use urban district in Denver, Colorado, USA, equipped with a centralized air-source heat pump, distributed water-to-water heat pumps, and a central thermal storage unit. Results show that the tuned RBC attains approximately 96% of ideal MPC economic performance (-27% of costs), preserves values of technical and environmental indicators (reduction only of 2-3%), and substantially reduces complexity. Sensitivity analyses further demonstrate the robustness of the RBC under varying operational conditions (i.e., ambient temperature, electricity price). Overall, the study demonstrates that MPC-informed rule-based control represents an effective trade-off between control performance and real-world applicability, enabling the integration of additional system components while maintaining simplicity, robustness, and ease of implementation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Enhancing heat pump water heater performance with embedded phase change materials thermal energy storage: First hour rating improvement and demand response operation

The increasing global emphasis on energy efficiency and sustainability has put heat pump water heaters (HPWHs) in the spotlight as an energy-efficient alternative to traditional water heating systems. However, their widespread adoption is limited by challenges such as insufficient First Hour Rating (FHR), suboptimal control mechanisms, and limited flexibility for demand response operations. Here, to address these limitations, this study proposes an innovative HPWH system integrated with embedded phase change material (PCM)-based thermal energy storage (TES). The research introduces a novel design and control strategy that leverages optimized PCM integration to enhance thermal storage capacity, improve hot water delivery during peak demand, and increase load-shifting potential. A combination of system modeling, performance simulation, and demand response control strategy evaluation was employed to quantify the benefits of PCM integration. Results demonstrate that the proposed PCM-TES HPWH system significantly enhances FHR, with an optimal 7.0 lb. of PCM increasing FHR by over 26 %—from 62 to 78 gal—for a standard 50-gal HPWH. Additionally, under advanced demand response operation using a preheat strategy, the system reduces the percentage of control temperature out-of-band time from 65 % (conventional HPWH) to just 11.6 %, enabling a more stable and efficient hot water supply. This research contributes a novel PCM-embedded HPWH design and control framework that addresses both performance and grid-interactivity challenges. The findings offer a viable pathway to enhancing the operational efficiency, flexibility, and grid responsiveness of residential water heating systems.

Demand response control↗

First operation and validation of simulations for the divertor cryo-vacuum pump in Wendelstein 7-X

Ten cryo-vacuum pumps (CVPs) were installed in the subdivertor region of each island divertor in the stellarator Wendelstein 7-X (W7-X) and operated for the first time during the recently completed plasma campaign OP2.1. A pumping speed of 70 ± 1 $\frac{m^3}{s}$ was measured during dedicated tests with known hydrogen gas injection. Based on a conductance model, the estimated pumping speed ranges from 86-93 $\frac{m^3}{s}$ for different sticking coefficients between 0.6 and 0.8. After completion of the initial tests the CVPs were operated successfully throughout the campaign, with regeneration performed once a week. Neutral gas pressures in the subdivertor in the range of 10 −4 mbar are well within the molecular flow regime and limit the particle exhaust capabilities of the CVPs. Simulations of the neutral gas pressure in the three-dimensional complex geometry of the subdivertor were performed using the DIVGAS code based on the direct simulation Monte Carlo method and a model implemented in the steady-state thermal package in ANSYS, which are in agreement with the measured values during plasma operation.

Cryo-vacuum pumping↗

Revisiting the connection of baryon number, lepton number, and operator dimension

The effects of heavy new particles beyond the Standard Model can be conveniently captured through higher-dimensional effective operators. As noted long ago by Weinberg, the amount of baryon and lepton number an operator can carry is intricately connected to its mass dimension. We derive an improved inequality for this connection and compare it to explicit operator constructions up to mass dimension 25. For the effective field theory of Standard Model plus right-handed neutrinos, our relationship is even an equality up to high mass dimension.

Baryon number violation↗

Operational optimization for multi-functional charging station with electric and hydrogen-powered vehicles

The rapid adoption of electric vehicles (EVs) and hydrogen fuel cell vehicles (HFCVs), combined with global efforts to reduce carbon emissions, has accelerated the development of EV charging and hydrogen refueling stations. In response to this demand, this paper introduces the concept of Multi-Functional Charging Station (MFCS) that integrates power generation, EV charging, battery swapping, and hydrogen refueling. A comprehensive operational model is developed for the MFCS that couples electricity and hydrogen conversion and storage technologies to enhance infrastructure utilization and improve overall system efficiency. The model also considers multiple revenue streams, including participation in energy and ancillary markets. To validate the effectiveness of the proposed model and evaluate its performance, a series of numerical experiments are conducted with different charger numbers, different electricity purchase limits, and different charger allocations. Numerical results demonstrate that shared charger configurations can lead to 8.11 % improvement in operational profit by improving resource utilization and reducing the number of depleted batteries at the end of operations compared to allocated charger setups. By varying the number of chargers, sensitivity analysis identifies diminishing marginal returns beyond about 45 chargers, suggesting it as an optimal sizing point under current settings. The integration of electricity and hydrogen conversion is also explored under scenarios with limited external electricity purchases. In conclusion, these findings indicate that optimizing charger allocation and energy management can significantly enhance station productivity and profitability, ultimately supporting the broader adoption of electrified and hydrogen-based transportation solutions.

Charging station↗

Covariance operator estimation via adaptive thresholding

This paper studies sparse covariance operator estimation for nonstationary processes with sharply varying marginal variance and small correlation lengthscale. We introduce a covariance operator estimator that adaptively thresholds the sample covariance function using an estimate of the variance component. Building on recent results from empirical process theory, we derive an operator norm bound on the estimation error in terms of the sparsity level of the covariance and the expected supremum of a normalized process. Furthermore, our theory and numerical simulations demonstrate the advantage of adaptive threshold estimators over universal threshold and sample covariance estimators in nonstationary settings.

Al-Ghattas, Omar [University of Chicago, IL (Unite↗

Liquid Alkaline Water Electrolyzers: Comparing Performance across Design, Operation, and End-of-Life Scenarios

Liquid alkaline water electrolysis (LAWE) is a demonstrated technology for hydrogen production, yet a comprehensive life cycle assessment (LCA) of their deployment is lacking. Research leading to improvements to the core component, the electrochemical stack, along with auxiliary system materials and dynamic operation of stacks from variable electricity supply offers new data that allows for detailed modeling and evaluation. Here, we present an LCA of two facility designs based on the current state-of-the-art stack and an advanced stack with zero-gap between electrodes, and capture dynamic electricity use from solar, wind, and hybrid sources and stack recycling strategies. We present life cycle impact factors characterizing the production of 1 kg of hydrogen across 12 environmental, human health, and resource impact categories (TRACI and ReCiPe) in the contiguous United States. As expected, the source of electricity will drive impacts (e.g., 83-94% of carbon intensity); however, we find that operating using wind electricity can lower hydrogen leakage and the overall carbon intensity (1.03 kgCO 2 e/kgH 2 ) relative to solar electricity (2.57 kgCO 2 e/kgH 2 ) at matched 1:1 capacity between LAWE and the electricity source. The deployment of the advanced design and stack recycling lowers impacts across all life cycle stages. We highlight opportunities to further reduce potential impacts, including the balance of plant materials and operation cycles associated with the use of variable wind and solar electricity that result in hydrogen leakage.

08 HYDROGEN↗

Scaling Field-Theoretic Simulation for Multicomponent Mixtures with Neural Operators

Multicomponent polymer mixtures are ubiquitous in biological self-organization but are notoriously difficult to study computationally. Plagued by both slow single molecule relaxation times and slow equilibration within dense mixtures, molecular dynamics simulations are typically infeasible at the spatial scales required to study the stability of mesophase structure. Polymer field theories offer an attractive alternative, but analytical calculations are only tractable for mean-field theories and nearby perturbations, constraints that become especially problematic for fluctuation-induced effects such as coacervation. Here, we show that a recently developed technique for obtaining numerical solutions to partial differential equations based on operator learning, neural operators, lends itself to a highly scalable training strategy by parallelizing per-species operator maps. We illustrate the efficacy of our approach on six-component mixtures with randomly selected compositions and that it significantly outperforms the state-of-the-art pseudospectral integrators for field-theoretic simulations, especially as polymer lengths become long.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

One-shot learning for solution operators of partial differential equations

Learning and solving governing equations of a physical system, represented by partial differential equations (PDEs), from data is a central challenge in many areas of science and engineering. Traditional numerical methods can be computationally expensive for complex systems and require complete governing equations. Existing data-driven machine learning methods require large datasets to learn a surrogate solution operator, which could be impractical. Here, we propose a solution operator learning method that requires only one PDE solution, i.e., one-shot learning, along with suitable initial and boundary conditions. Leveraging the locality of derivatives, we define a local solution operator in small local domains, train it using a neural network, and use it to predict solutions of new input functions via mesh-based fixed-point iteration or meshfree neural-network based approaches. We test our method on various PDEs, complex geometries, and a practical spatial infection spread application, demonstrating its effectiveness and generalization capabilities.

97 MATHEMATICS AND COMPUTING↗

Operating advanced scientific instruments with AI agents that learn on the job

Advanced scientific user facilities, such as next generation X-ray light sources and self-driving laboratories, are revolutionizing scientific discovery by automating routine tasks and enabling rapid experimentation and characterizations. However, these facilities must continuously evolve to support new experimental workflows, adapt to diverse user projects, and meet growing demands for more intricate instruments and experiments. This continuous development introduces significant operational complexity, necessitating a focus on usability, reproducibility, and intuitive human-instrument interaction. In this work, we explore the integration of agentic AI, powered by Large Language Models (LLMs), as a transformative tool to achieve this goal. We present our approach to developing a human-in-the-loop pipeline for operating advanced instruments including an X-ray nanoprobe beamline and an autonomous robotic station dedicated to the design and characterization of materials. Specifically, we evaluate the potential of various LLMs as trainable scientific assistants for orchestrating complex, multi-task workflows, which also include multimodal data, optimizing their performance through optional human input and iterative learning. We demonstrate the ability of AI agents to bridge the gap between advanced automation and user-friendly operation, paving the way for more adaptable and intelligent scientific facilities.

Large Language Models↗

Continuous operation of a coherent 3,000-qubit system

Neutral atoms are a promising platform for quantum science, enabling advances in areas ranging from quantum simulations and computation to metrology, atomic clocks and quantum networking. Although atom losses typically limit these systems to a pulsed mode, continuous operation could substantially enhance cycle rates, remove bottlenecks in metrology and enable deep-circuit quantum evolution through quantum error correction. Here we demonstrate an experimental architecture for high-rate reloading and continuous operation of a large-scale atom-array system while realizing coherent storage and manipulation of quantum information. Our approach utilizes a series of two optical lattice conveyor belts to transport atom reservoirs into the science region, where atoms are repeatedly extracted into optical tweezers without affecting the coherence of qubits stored nearby. Using a reloading rate of 300,000 atoms in tweezers per second, we create over 30,000 initialized qubits per second, which we leverage to assemble and maintain an array of over 3,000 atoms for more than 2 hours. Furthermore, we demonstrate persistent refilling of the array with atomic qubits in either a spin-polarized or a coherent superposition state while preserving the quantum state of stored qubits. Our results pave the way for the realization of large-scale continuously operated atomic clocks, sensors and fault-tolerant quantum computers.

atomic and molecular physics↗

Sparsified time-dependent Fourier neural operators for fusion simulations

This paper presents a sparsified Fourier neural operator for coupled time-dependent partial differential equations (ST-FNO) as an efficient machine learning surrogate for fluid and particle-based fusion codes such as NIMROD (Non-Ideal Magnetohydrodynamics with Rotation - Open Discussion) and GTC (Gyrokinetic Toroidal Code). ST-FNO leverages the structures in the governing equations and utilizes neural operators to represent Green's function-like numerical operators in the corresponding numerical solvers. Once trained, ST-FNO can rapidly and accurately predict dynamics in fusion devices compared with first-principle numerical algorithms. In general, ST-FNO represents an efficient and accurate machine learning surrogate for numerical simulators for multi-variable nonlinear time-dependent partial differential equations, with the proposed architectures and loss functions. The efficacy of ST-FNO has been demonstrated using quiescent H-mode simulation data from NIMROD and kink-mode simulation data from GTC. The ST-FNO H-mode results show orders of magnitude reduction in memory and central processing unit usage in comparison with the numerical solvers in NIMROD when computing fields over a selected poloidal plane. The ST-FNO kink-mode results achieve a factor of 2 reduction in the number of parameters compared to baseline FNO models without accuracy loss.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Scattering theory in noncanonical phase space: A Drift-Kinetic collision operator for weakly collisional plasmas

After developing a scattering theory for grazing collisions in general noncanonical phase spaces, we introduce a guiding center collision operator in five-dimensional phase space designed for plasma regimes characterized by long wavelengths (relative to the Larmor radius), low frequencies (relative to the cyclotron frequency), and weak collisionality (where repeated Coulomb collisions induce cumulatively small changes in particle magnetic moment). The collision operator is fully determined by the noncanonical Hamiltonian structure of guiding center dynamics and exhibits a metriplectic structure, ensuring the conservation of particle number, momentum, energy, and interior Casimir invariants. It also satisfies an H-theorem, allowing for deviations from an equilibrium Maxwellian distribution due to the nontrivial kernel of the noncanonical guiding center Poisson tensor, spanned by the magnetic moment. We propose that this collision operator and its underlying mathematical structure may offer valuable insight into the study of turbulence, transport, and self-organizing phenomena in both laboratory and astrophysical plasmas.

Hamiltonian mechanics↗

Uncertainty-Aware and Explainable Human Error Detection in the Operation of Nuclear Power Plants

The timely and accurate identification of incidents, such as human factor error, is important to restore nuclear power plants (NPPs) to a stable state. However, the identification of abnormal operating conditions is difficult because of the existence of multiple scenarios. In addition, to implement mitigation actions rapidly after an incident occurs, operators must accurately identify an incident by monitoring the trends of many variables. The mental burden posed by this can increase human error and cause failure in identifying incidents. Failure to identify incidents directly results in erroneous mitigation measures, which are detrimental to NPPs. In this study, we leverage uncertainty-aware models to identify such errors and thereby increase the chances of mitigating them. We use the data collected from a physical test bed. The goal is to identify both certain and accurate models. For this, the two main aspects of focus in this study are explainable artificial intelligence (XAI) and uncertainty quantification (UQ). While XAI elucidates the decision pathway, UQ evaluates decision reliability. Their integration paints a comprehensive picture, signifying that understanding decisions and their confidence should be interlinked. Thus, in this study we leverage UQ measures (e.g. entropy and mutual information) along with Shapley additive explanations to gain insights into the features contributing to both accuracy and uncertainty in error identification. Furthermore, our results show that uncertainty-aware models combined with XAI tools can explain the artificial intelligence–prescribed decisions, with the potential of better explaining errors for the operators.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

GEAR-MC and Differential-Operator Methods Applied to Electron-Photon Transport in the Integrated TIGER Series

The sensitivity analysis algorithms that have been developed by the radiation transport community in multiple neutron transport codes, such as MCNP and SCALE, are extensively used by fields such as the nuclear criticality community. However, these techniques have seldom been considered for electron transport applications. In the past, the differential-operator method with the single scatter capability has been implemented in Sandia National Laboratories’ Integrated TIGER Series (ITS) coupled electron-photon transport code. This work is meant to extend the available sensitivity estimation techniques in ITS by implementing an adjoint-based sensitivity method, GEAR-MC, to strengthen its sensitivity analysis capabilities. To ensure the accuracy of this method being extended to coupled electron-photon transport, it is compared against the central-difference and differential-operator methodologies to estimate sensitivity coefficients for an experiment performed by McLaughlin and Hussman. Energy deposition sensitivities were calculated using all three methods, and the comparison between them has provided confidence in the accuracy of the newly implemented method. Unlike the current implementation of the differential-operator method in ITS, the GEAR-MC method was implemented with the option to calculate the energy-dependent energy deposition sensitivities, which are the sensitivity coefficients for energy deposition tallies to energy-dependent cross sections. The energy-dependent cross sections could be the cross sections for the material, elements in the material, or reactions of interest for the element. Further, these sensitivities were compared to the energy-integrated sensitivity coefficients and exhibited a maximum percentage difference of 2.15%.

42 ENGINEERING↗

Transformer coupled toroidal wave-heated remote plasma sources operating in Ar/NF 3 mixtures

Remote plasmas are used in semiconductor device manufacturing as sources of radicals for chamber cleaning and isotropic etching. In these applications, large fluxes of neutral radicals (e.g. F, O, Cl, H) are desired with there being negligible fluxes of potentially damaging ions and photons. One remote plasma source (RPS) design employs toroidal, transformer coupling using ferrite cores to dissociate high flows of moderately high pressure (up to several Torr) electronegative gases. In this paper, results are discussed from a computational investigation of moderate pressure, toroidal transformer coupled RPS sustained in Ar and Ar/NF 3 mixtures. Operation of the RPS in 1 Torr (133 Pa) of argon with a power of 1.0 kW at 0.5 MHz and a single core produces a continuous toroidal plasma loop with current continuity being maintained dominantly by conduction current. Operation with dual cores introduces azimuthal asymmetries with local maxima in plasma density. Current continuity is maintained by a mix of conduction and displacement current. Operation in NF 3 for the same conditions produces essentially complete NF 3 dissociation. Electron depletion as a result of dissociative attachment of NF 3 and NF x fragments significantly alters the discharge topology, confining the electron density to the downstream portion of the source where the NFx density has been lowered by this dissociation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Characterizing the negative triangularity reactor core operating space with integrated modeling

Negative triangularity (NT) has received renewed interest as a fusion reactor regime due to its beneficial power-handling properties, including low scrape-off layer power and a larger divertor wetted area that facilitates simple divertor integration. NT experiments have also demonstrated core performance on par with positive triangularity (PT) high confinement mode (H-mode) without edge-localized modes (ELMs), encouraging further study of an NT reactor core. In this work, we use integrated modeling to scope the operating space around two NT reactor strategies. The first is the high-field, compact fusion pilot plant concept Modular, Adjustable, NT ARC (MANTA) and the second is a low field, high aspect ratio concept based on work by Medvedev et al. By integrating equilibrium, core transport, and edge ballooning instability models, we establish a range of operating points with less than 50 MW scrape-off layer power and fusion power comparable to PT H-mode reactor concepts. Heating and seeded impurities are leveraged to accomplish the same fusion performance and scrape-off layer exhaust power for various pressure edge boundary conditions. Scans over these pressure edge conditions accommodate any current uncertainty of the properties of the NT edge and show that the performance of an NT reactor will be extremely dependent on the edge pressure. The high-field case is found to enable lower scrape-off layer power because it is capable of reaching high fusion powers at a relatively compact size, which allows increased separatrix density without exceeding the Greenwald density limit. Adjustments in NT shaping exhibit small changes in fusion power, with an increase in fusion power density seen at weaker NT. Infinite-n ballooning instability models indicate that an NT reactor core can reach fusion powers comparable to leading PT H-mode reactor concepts while remaining ballooning-stable. Seeded krypton is leveraged to further lower scrape-off layer power since NT does not have a requirement to remain in H-mode while still maintaining high confinement. We contextualize the NT reactor operating space by comparing to popular PT H-mode reactor concepts, and find that NT exhibits competitive ELM-free performance with these concepts for a variety of edge conditions while maintaining relatively low scrape-off layer power.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Tungsten control in long pulse operation: feedback from WEST to ITER

The full W environment that is now foreseen for ITER puts strong emphasis on experimental results obtained in present devices in similar conditions. In this context, the WEST tokamak is well equipped to bring key contributions to the preparation of ITER operation, thanks to its capability to perform long pulses in dominant electron heating, torque-free scheme based on RF systems, and its ITER-grade actively cooled divertor. Recent results of interest cover the understanding of tungsten contamination and the evaluation of conditioning methods, the feedback on the current ramp-up phase, and the ageing of the ITER divertor components in L-mode attached condition. Further, new directions are being explored, in particular low divertor temperature operation that should be the normal operating regime of ITER. We also report on tungsten peaking physics, and the role of light impurity content.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗