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1,198 records · Page 60

Echo state network for coarsening dynamics of charge density waves

An echo state network (ESN) is a type of reservoir computer that uses a recurrent neural network with a sparsely connected hidden layer. Compared with other recurrent neural networks, one great advantage of ESN is the simplicity of its training process. Yet, despite the seemingly restricted learnable parameters, ESN has been shown to successfully capture the spatial-temporal dynamics of complex patterns. Here we build an ESN to model the coarsening dynamics of charge-density waves (CDWs) in a semiclassical Holstein model, which exhibits a checkerboard electron density modulation at half-filling stabilized by a commensurate lattice distortion. The inputs to the ESN are local CDW order parameters in a finite neighborhood centered around a given site, while the output is the predicted CDW order of the center site at the next time step. Special care is taken in the design of couplings between hidden layer and input nodes to ensure lattice symmetries are properly incorporated into the ESN model. Since the model predictions depend only on CDW configurations of a finite domain, the ESN is scalable and transferrable in the sense that a model trained on dataset from a small system can be directly applied to dynamical simulations on larger lattices. Furthermore, our work opens avenues for efficient dynamical modeling of pattern formations in functional electron materials.

2-dimensional systems

Adapter Signaling Evaluations on EVs [Slides]

In case J3400 and J3400/1 define a basic analog signaling approach for DC charging adapters to communicate over-temperature events to both the EV and EVSE. They also require the EV to implement mitigation and corrective actions in cases where the EVSE does not respond to adapter thermal signals. In this study, multiple production vehicles were evaluated for responsiveness to assess field readiness and ensure consistent performance in accordance with the SAE J1772, J3400 and J3400/1 standards. A series of test cases were developed and executed across different vehicles, using an adapter thermal breakout fixture designed by NLR for evaluations. The results revealed notable variations in behavior: some vehicles expected to comply with J1772 were found to be non-responsive under certain conditions. Additionally, while some EV OEMs appear to align with the J3400 standard, discrepancies exist due to its evolving nature, resulting in inconsistent implementation of the latest requirements. These findings highlight the need for alignment within standards organizations to ensure consistent interpretation, encourage compliance, and reduce potential confusion across implementations.

33 ADVANCED PROPULSION SYSTEMS

Application of Ibuprofen Sodium Dihydrate for Thermochemical Energy Storage

Thermochemical energy storage (TCES) offers a transformative approach to address grid instability by harnessing reversible chemical reactions for efficient heat storage and release. Here, we introduce pharmaceutical organic salt hydrates as a class of materials with exceptional performance for low-grade waste heat recovery. We demonstrate ibuprofen sodium dihydrate (ISD) as an example organic hydrate exhibiting a dehydration temperature range of 60-110 °C and a remarkable dehydration enthalpy of up to 59.5 kJ/mol of water, ideally suited for capturing industrial and residential waste heat. Using rigorous multimodal characterization, including thermogravimetric analysis, differential scanning calorimetry, in-situ FTIR, in-situ PXRD, and NMR, we demonstrate ISD's superior thermal, chemical, and structural stability over 150 hydration-dehydration cycles, achieving an unprecedented cycling efficiency of ~99.9%. Compared to conventional inorganic salt hydrates like strontium chloride hexahydrate and calcium oxalate monohydrate, ISD showcases enhanced durability without deliquescence or pulverization, even under high-humidity conditions. In-situ analyses confirm the transition from ISD to ibuprofen sodium anhydrous (ISA) proceeds with structural reorganization, thereby combining the dehydration mechanism with phase transitions, resulting in higher energy storage capacity. Microstructural analyses reveal that repeated water intercalation and structural transitions aid in creating significant porosity that enhances water transport kinetics, further improving the hydration/dehydration performance. By combining the phase change and chemical dehydration mechanisms, ISD paves the way for designing a new class of organic salt hydrates, offering tunable properties to meet diverse thermal energy storage demands and supporting sustainable grid resilience.

Thangaraj, Kavin C.

Symposium on Thermal Radiation of Solids

The Symposium was intended to provide for presentation and discussion of significant developments in the theory of thermal radiation of solids and in our understanding of the important effects of surfaces and interfaces and of surface imperfections on this radiation, of the effects of the space environment on radiation properties, and of the application of this information to the thermal designer's problems. Presentation of data as such-for example, absorptances and emittances of various types of coatings-was not considered a primary purpose of the Symposium; nevertheless, as the reader will observe, an appreciable amount of significant data of this type is contained in some of the papers. Developments in measurement techniques were also not considered basic to the main theme, especially since it was the theme of the preceding Symposium. However, because the subject remains of continuing concern, one session was devoted to it. These Proceedings contain all the papers presented orally at the Symposium together with the discussions that followed them, and, in addition, nine papers that were accepted for publication only. Each paper was reviewed by the session chairman and by the editor, and any apparent technical discrepancies were called to the attention of the author for clarification. As a further aid to the reader, the editor has tried to achieve some degree of uniformity in organization and format of the papers—at least to the extent permitted by the subject matter, and he has also striven for clarity and readability of the text. In this task he has had not only the cooperation of the authors but also extensive help from the Langley Technical Editing Section, the Langley Library (where most of the cited references were checked), and the NASA Headquarters Technical Publications Branch.

Solids

General Purpose Data-Driven System Monitoring for Space Operations

Modern space propulsion and exploration system designs are becoming increasingly sophisticated and complex. Determining the health state of these systems using traditional methods is becoming more difficult as the number of sensors and component interactions grows. Data-driven monitoring techniques have been developed to address these issues by analyzing system operations data to automatically characterize normal system behavior. The Inductive Monitoring System (IMS) is a data-driven system health monitoring software tool that has been successfully applied to several aerospace applications. IMS uses a data mining technique called clustering to analyze archived system data and characterize normal interactions between parameters. This characterization, or model, of nominal operation is stored in a knowledge base that can be used for real-time system monitoring or for analysis of archived events. Ongoing and developing IMS space operations applications include International Space Station flight control, satellite vehicle system health management, launch vehicle ground operations, and fleet supportability. As a common thread of discussion this paper will employ the evolution of the IMS data-driven technique as related to several Integrated Systems Health Management (ISHM) elements. Thematically, the projects listed will be used as case studies. The maturation of IMS via projects where it has been deployed, or is currently being integrated to aid in fault detection will be described. The paper will also explain how IMS can be used to complement a suite of other ISHM tools, providing initial fault detection support for diagnosis and recovery.

Satellites

A Review of Pump Package Assembly Anomalies and Demonstration to Gain Motor Controller Replacement Capability

The International Space Station (ISS) generates heat within the US modules from systems used to operate the station, maintain crew health, and conduct science experiments in the orbiting laboratory. The Internal Thermal Control System (ITCS) collects this heat in water loops and transfers it to the external ammonia system for rejection to space. The ITCS uses six Pump Package Assemblies (PPA) as the motive force to circulate the water within the Lab, Node 2, and Node 3 (Node 1 is parasitic to the Lab and Node 3 ITCS loops). In the life of ISS, 3 PPAs have had to be replaced and 2 PPAs are currently showing signs of degradation. The first PPA to fail in 2003 was due to early coolant chemistry issues; the remaining pump failures and current pump degradations are determined to be related to the Pump/Fan Motor Controller (PFMC), with their individual signatures all being unique to this point. The PFMC of one of the failed PPAs was returned and testing confirmed its sub-components to be the root cause of the PPA failure. Due to the relative size and weight of the standalone PFMC in comparison to the integrated assembly, it is desired, from a launch and on-orbit stowage perspective, to replace the PFMC component of the degraded PPA instead of the entire PPA. The PPA was not designed for this capability, so on the ground demonstrations are planned using crew tools to show that the PFMC can be replaced on-orbit while maintaining full functionality. This paper will focus on the signatures of the two most recent PPA failures and the two PPAs showing signs of degradation, in addition to presenting the findings from the PFMC demonstration effort.

Aaron Rodriguez

A Review of Pump Package Assembly Anomalies and Demonstration to Gain Motor Controller Replacement Capability

The International Space Station (ISS) generates heat within the US modules from systems used to operate the station, maintain crew health, and conduct science experiments in the orbiting laboratory. The Internal Thermal Control System (ITCS) collects this heat in water loops and transfers it to the external ammonia system for rejection to space. The ITCS uses six Pump Package Assemblies (PPA) as the motive force to circulate the water within the Lab, Node 2, and Node 3 (Node 1 is parasitic to the Lab and Node 3 ITCS loops). In the life of ISS, 3 PPAs have had to be replaced and 2 PPAs are currently showing signs of degradation. The first PPA to fail in 2003 was due to early coolant chemistry issues; the remaining pump failures and current pump degradations are determined to be related to the Pump/Fan Motor Controller (PFMC), with their individual signatures all being unique to this point. The PFMC of one of the failed PPAs was returned and testing confirmed its sub-components to be the root cause of the PPA failure. Due to the relative size and weight of the standalone PFMC in comparison to the integrated assembly, it is desired, from a launch and on-orbit stowage perspective, to replace the PFMC component of the degraded PPA instead of the entire PPA. The PPA was not designed for this capability, so on the ground demonstrations are planned using crew tools to show that the PFMC can be replaced on-orbit while maintaining full functionality. This paper will focus on the signatures of the two most recent PPA failures and the two PPAs showing signs of degradation, in addition to presenting the findings from the PFMC demonstration effort.

Aaron Rodriguez

A review of United States energy-only generator interconnection service policy and considerations for reform

Grid interconnection has emerged as a significant obstacle to the development of new electricity resources. There is growing interest in energy-only interconnection, which is an interconnection service option meant to allow the interconnection of new generators without ensuring their energy deliverability during all hours through the transmission system to customers. This approach potentially avoids upfront congestion-related transmission upgrades but could increase curtailment risk. Interest in energy-only interconnection is shaped by incomplete understanding of how interconnection policy functions in different jurisdictions, a knowledge gap that makes it difficult to determine how energy-only interconnection might be better used or re-designed. In this paper, we provide a regulatory review of energy-only interconnection in U.S. interconnection policy and practice, identifying jurisdictions in which rules are close to -or farther from-the theoretical concept of energy-only interconnection service. We find substantial jurisdictional differences in how energy-only interconnection is implemented, driven by differences in resource adequacy frameworks, real-time transmission operations, and state-level procurement practices. U.S. regulators have preferred local jurisdictional flexibility over federal prescription of interconnection study methods and procedures, which also contributes to differences among regions. Such findings raise fundamental questions about whether competition policies in electricity markets should extend beyond spot energy markets and into more prescriptive guidelines around interconnection rules and market entry. This paper sheds light on tensions that energy-only interconnection raises in allowing generators to access the transmission system on an as available basis and discusses how controlling thresholds for congestion-related network upgrades may be a barrier to electricity market entry.

Gorman, Will

Tailoring Ion Transport in Li 3‐3y Ho 1+y Cl 6‐x Br x via Transition‐Metal Free Structural Planes and Charge Carrier Distribution

Abstract Localized atomistic disorder in halide‐based solid electrolytes (SEs) can be leveraged to boost Li + mobility. In this study, Li + transport in structurally modified Li 3 HoCl 6 , via Br − introduction and Li + deficiency, is explored. The optimized Li 3‐3 y Ho 1+ y Cl 6‐ x Br x achieves an ionic conductivity of 3.8 mS cm −1 at 25 °C, the highest reported for holmium halide materials. 6,7 Li nuclear magnetic resonance and relaxometry investigations unveil enhanced ion dynamics with bromination, attaining a Li + motional rate neighboring 116 MHz. X‐ray diffraction analyses reveal mixed‐anion‐induced phase transitions with disproportionate octahedral expansions and distortions, creating Ho‐free planes with favorable energetics for Li + migration. Bond valence site energy analysis highlights preferred Li + transport pathways, particularly in structural planes devoid of Ho 3+ blocking effects. Molecular dynamics simulations corroborate enhanced Li + diffusion with Br − introduction into Li 3 HoCl 6 . Li‐Ho electrostatic repulsions in the (001) plane presumably drive Li + diffusion into the Ho‐free (002) layer, enabling rapid intraplanar Li + motion and exchange between the 2d and 4h sites. Li 3‐3 y Ho 1+ y Cl 6‐ x Br x also demonstrates good battery cycling stability. These findings offer valuable insights into the intricate correlations between structure and ion transport and will help guide the design of high‐performance fast ion conductors for all‐solid‐state batteries.

Chemistry

Selective ion transport through hydrated micropores in polymer membranes

Abstract Ion-conducting polymer membranes are essential in many separation processes and electrochemical devices, including electrodialysis 1 , redox flow batteries 2 , fuel cells 3 and electrolysers 4,5 . Controlling ion transport and selectivity in these membranes largely hinges on the manipulation of pore size. Although membrane pore structures can be designed in the dry state 6 , they are redefined upon hydration owing to swelling in electrolyte solutions. Strategies to control pore hydration and a deeper understanding of pore structure evolution are vital for accurate pore size tuning. Here we report polymer membranes containing pendant groups of varying hydrophobicity, strategically positioned near charged groups to regulate their hydration capacity and pore swelling. Modulation of the hydrated micropore size (less than two nanometres) enables direct control over water and ion transport across broad length scales, as quantified by spectroscopic and computational methods. Ion selectivity improves in hydration-restrained pores created by more hydrophobic pendant groups. These highly interconnected ion transport channels, with tuned pore gate sizes, show higher ionic conductivity and orders-of-magnitude lower permeation rates of redox-active species compared with conventional membranes, enabling stable cycling of energy-dense aqueous organic redox flow batteries. This pore size tailoring approach provides a promising avenue to membranes with precisely controlled ionic and molecular transport functions.

Science & Technology - Other Topics

A strong and ductile Super Kovar alloy via fully coherent nanoprecipitates

Emerging high-precision technologies demand materials with exceptional dimensional stability and mechanical robustness, as even microscopic thermomechanical deformation can cause functional failure. However, a fundamental trilemma exists: High strength, ductility, and low thermal expansion are mutually exclusive, as strengthening-induced lattice distortions compromise the spin-lattice coupling, which is essential for low thermal expansion. Here, we overcome this trilemma by designing “Super Kovar,” an Fe-Ni-Co-Al-Ta alloy, featuring fully coherent nanoprecipitates. It unifies a 1.0-gigapascal ultimate tensile strength and ∼39% elongation with a Kovar-grade thermal expansion of 3.81 × 10−6 K−1 (100 to 410 K). The key is a dense dispersion of L12 nanoprecipitates that form an almost strain-free coherent interface with the ferromagnetic matrix. Beyond providing precipitation strengthening, these coherent interfaces suppress intrinsic phonons of nanoprecipitates via elastic coupling while avoiding magnetic domain pinning to preserve the Invar effect of the matrix. This reduces the thermal expansion of the precipitates by 56% and achieves a fourfold enhancement in the strength-ductility product, establishing a paradigm for dimensionally stable, ultrastrong alloys.

Yu, Chengyi [University of Science and Technology

A transport-based framework for solidification cracking in Ni-based superalloys processed by laser powder bed fusion

Solidification cracking remains a persistent barrier to laser powder bed fusion (LPBF) processing of solid-solution-strengthened (SSS) Ni-based superalloys and is commonly attributed to carbide formation, liquation-type failure, or elemental segregation. In this work, the cracking behavior of three SSS Ni-based superalloys—Inconel 625 (625), Inconel 617 (617), and Haynes 230 (230)—is examined under comparable LPBF conditions to evaluate the origins of their cracking susceptibility. Carbides were present in both 625 and 230, yet cracking behavior differed significantly. MC-type carbides in 625 remain discrete and preserve liquid connectivity, whereas Cr-rich M23C6 carbides in 230 form at cellular triple junctions that bottleneck the interdendritic liquid network, influencing cracking through liquid connectivity rather than as an independent cause. Alloy 617 exhibited anomalous segregation without resolvable secondary phases yet cracked mildly, indicating that extensive carbide formation is not a prerequisite for cracking. To rationalize these observations, a transport-limited framework is proposed in which cracking occurs when terminal-liquid feeding cannot accommodate solidification-induced strain; among the mechanisms evaluated, this framework is most consistent with the physical constraints imposed by LPBF solidification. Transport-based crack-susceptibility indexes incorporating permeability, viscosity, and solidification kinetics distinguish the alloy hierarchy; permeability ratios Krat increased from approximately 7 (625) to 11.5 (617) and 14.5 (230), with corresponding increases in the μ-weighted mushy zone risk index (CSIMZRM). These results are consistent with transport-limited liquid feeding as a rate-limiting contributor to solidification cracking in LPBF-processed SSS Ni-based superalloys, providing a physically grounded basis for alloy and process design.

Hyer, Holden [ORNL] (ORCID:0000000343915561)

Optimal binning of correlated measurements

Experimental measurements are commonly represented on a discrete grid, requiring a balance between granularity and statistical noise. Two strategies have traditionally been used to improve such representations: selecting an appropriate bin width to control discretization error and applying kernel-based smoothing to suppress fluctuations. Despite their shared goal, these approaches have largely developed independently, without a unified statistical description of how discretization and correlation jointly determine measurement precision. Here, we extend the discussion of optimal interval averaging to a correlation-aware setting by Gaussian process regression, which explicitly accounts for correlations among neighboring bins. Starting from first principles, we derive the mean-squared error of discretized measurements and obtain closed-form asymptotic expressions for the optimal bin width and correlation length. When recast in reduced variables, the theory reveals distinct universal scaling laws governing the error in the correlation-free and correlation-controlled regimes. Characterized by intrinsically smooth intensity profiles and counting-based statistics, neutron scattering measurements are well suited for demonstrating the enhanced error contraction enabled by inter-bin correlations. We show that such improvement is achievable over the experimentally accessible Q-range and across multiple instruments and material systems. These results show that explicitly accounting for correlations systematically reshapes the limits of precision in discretized, noise-limited measurements. More broadly, the framework provides a transferable statistical foundation for optimizing data representation, inference, and experimental design across the physical and data sciences.

Tung, Chi-Huan [ORNL] (ORCID:0000000221972074)

Atomistic‐Level Effects of Noncovalent Interactions and Crystalline Packing for Organic Material Structural Integrity upon Exposure to Gamma Radiation

Developing an atomistic understanding of ionizing radiation induced changes to organic materials is necessary for intentional design of greener and more sustainable materials for radiation shielding and detection. Cocrystals are promising for these purposes, but a detailed understanding of how the specific intermolecular interactions within the lattice upon exposure to radiation affect the structural stability of the organic crystalline material is unknown. This study evaluates atomistic-level effects of γ radiation on both single- and multicomponent organic crystalline materials and how specific noncovalent interactions and packing within the crystalline lattice enhance structural stability. Dose studies were performed on all crystalline systems and evaluated via experimental and computational methods. Changes in crystallinity were evaluated by p-XRD and free radical formation was analyzed via EPR spectroscopy. Type of intermolecular interactions and packing within the crystal lattice was delineated and related to the specific free radical species formed and the structural integrity of each material. Periodic DFT and HOMO-LUMO surface mapping calculations provided atomistic-level identifications of the most probable sites for the radicals formed upon exposure to γ radiation and relate intermolecular interactions and molecular packing within the crystalline lattice to experimental results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

A Reductively Stable Electrolyte Realizes Deep Cycling Behavior in Anode‐free Sodium Batteries

For anode‐free sodium batteries to achieve practical consideration, highly reversible chemistries require exceptional ≥99.95% coulombic efficiencies that maintain over prolonged cycling periods. To do so, consumption of this severely limited sodium inventory must be restricted while metal nucleation processes that comprise the in situ formed metal anode are improved. Herein, we describe a fluorine‐free carborane electrolyte that satisfies these criteria by emphasizing reductive stability and weakly coordinating anion behavior as design principles. We find this approach promotes the development of a thin, robust SEI chemistry rich in both organic speciation and boron. The electrolyte described herein exhibits ideal metal nucleation behavior on one‐micron thin carbonaceous current collector surfaces and achieves a metal deposition/stripping efficiency near parity for 400 cycles. This novel anode chemistry is introduced to anode‐free full cell configurations where 87% of the initial discharge capacity is retained after 1000 cycles at 2.0 C. In conclusion, post‐test characterization of deep‐cycled anode‐free cells reveals suppressed capacity fade in these systems is attributed to the chemical stability of the carborane anion.

anode-free

Hybrid Data‐Driven Discovery of High‐Performance Silver Selenide‐Based Thermoelectric Composites

Optimizing material compositions often enhances thermoelectric performances. However, the large selection of possible base elements and dopants results in a vast composition design space that is too large to systematically search using solely domain knowledge. To address this challenge, a hybrid data-driven strategy that integrates Bayesian optimization (BO) and Gaussian process regression (GPR) is proposed to optimize the composition of five elements (Ag, Se, S, Cu, and Te) in AgSe-based thermoelectric materials. Data is collected from the literature to provide prior knowledge for the initial GPR model, which is updated by actively collected experimental data during the iteration between BO and experiments. Within seven iterations, the optimized AgSe-based materials prepared using a simple high-throughput ink mixing and blade coating method deliver a high power factor of 2100 µW m −1 K −2 , which is a 75% improvement from the baseline composite (nominal composition of Ag 2 Se 1 ). In conclusion, the success of this study provides opportunities to generalize the demonstrated active machine learning technique to accelerate the development and optimization of a wide range of material systems with reduced experimental trials.

36 MATERIALS SCIENCE

Improving Marine Energy Production Through Commercialization of a Low Cost, Drag-Reducing Slippery Coating (CRADA 679 Abstract)

Marine energy capture systems offer great promise for providing clean energy, but they operate in a challenging and dynamic environment and must be optimized to the highest extent possible. Computational studies predict that drag reduction on marine energy and blue economy systems will result in meaningful improvements in energy efficiency. Based on extensive coating experience, PNNL is proposing to bring to market a new drag-reducing coating called Superhydrophobic Lubricant-Infused Drag-Efficient Coating – SLIDE-Coat. PNNL has a deep knowledge base regarding this class of slippery coatings, and we have a group of enthusiastic industry partners who have committed to partnering, conducting field testing, and providing well over 50% cost share. In addition to validating the technology, the team will create a commercialization roadmap to ensure the commercial success of the technology after the government-sponsored two-year program is complete. The main technical goal is to design, manufacture, and experimentally validate a new coating that can reduce hydrodynamic skin friction drag by 20%. The main commercialization goal is to develop a roadmap that identifies activities needed to complete SLIDE-Coat’s development after the conclusion of this project. Year 1 will focus on adaptation and modification of the existing SLIC coating system to optimize drag reduction and assessment and quantification of drag reduction on relevant materials in a laboratory setting. Year 2 will focus on optimizing and demonstrating drag reduction with preferred coatings. The manufacturability, ease of application, adhesion to relevant surfaces, and consistency will be assessed. Quantification of drag reduction on prototype materials in a relevant marine field setting will be executed.

16 TIDAL AND WAVE POWER

The Use of Immersion Rigs for High Temperature Hydrogen Exposure Testing within the Nuclear Thermal Rocket Element Environmental Simulator (NTREES): Thermal Soak Rig (TSR)

The Nuclear Thermal Rocket Element Environmental Simulator (NTREES) facility was purpose constructed to perform non-nuclear evaluations of nuclear thermal propulsion (NTP) system fuel materials and structures within prototypic thermochemical environments. This system has been utilized steadily in its ability to subject test specimens to thermochemical and thermohydraulic environments simulating that of an operating nuclear rocket engine. Fission heat is simulated by induction power and experiments are conducted within a ~1000 psi pressure vessel. Hydrogen is conventionally passed through the heated fuel surrogate test specimen while pressure, temperature, and gas species data are collected at various points along the experiment. In order to test fuel and material coupon samples, a class of test apparatus named “immersion rigs” are being developed and employed to more rapidly test these smaller and more technically challenging test specimen. One example of a promising potential fuel structure, Tristructural-isotropic (TRISO) particles, presents unique challenges for testing of this type. TRISO fuel micro-particles are spheroids typically on the order of 500 – 1000 μm in diameter, and exposing a batch sample to hot hydrogen requires purpose-built special test equipment. Thusly, an immersion rig was developed and successfully demonstrated to expose ~1 g of micro-particles to hydrogen gas at temperatures and pressures relevant to NTP systems for the purpose of fuel evaluation. The rig, comprised primarily of graphite and pure tungsten, houses in its core a batch of micro-particles between pucks of porous silicon carbide (SiC). This approach permits gas flow while simultaneously retaining the particles in place. Herein is a discussion of the design, analysis, fabrication, and testing of the NTREES Thermal Soak Rig (TSR).

Space Nuclear Propulsion