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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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1,005 records · Page 36

Improving the Performance of NEML2 with Modern Graph Compilation Backends

NEML2 vectorizes constitutive-model evaluation for large-scale multiphysics simulation, using PyTorch as its tensor backend so that a batch of material-point updates runs on CPU or GPU through a single implementation. In the two prior reports in this series it was a C++-native library, deployed through TorchScript tracing and just-in-time (JIT) compilation; it has since been rewritten from the ground up into a Python-native library deployed through Ahead-of-Time Inductor (AOTInductor), a modern PyTorch graph-compilation backend. The rewrite is driven by a persistent tension, not a language preference: NEML2 composes constitutive models at runtime from a registry of small, independently-authored pieces, and that flexibility is difficult to reconcile with the compile-time knowledge an efficient GPU kernel needs. This report documents the rewrite and the investment that accompanied it: the AOTInductor export pipeline that turns a Python-authored model into a portable, Python-free compiled artifact loadable from pure C++; the eager and compiled runtimes and the new implicit solver layer built on them; a head-to-head benchmark of legacy JIT against AOTInductor; the physics-model catalog and its worked examples; the developer tooling; and the corresponding overhaul of MOOSE’s NEML2 integration that lets MOOSE consume it. A central objective is to examine whether modern PyTorch graph-compilation backends are effective for MOOSE GPU integration. The benchmark answers directly: AOTInductor outperforms legacy JIT on every GPU scenario measured, by 1.0–4.5×. Modern graph-compilation backends are effective for MOOSE GPU integration, and AOTInductor specifically – not compilation in the abstract – is why.

Hu, Gary (Tianchen) [Argonne National Laboratory (

Alumina–Titania Nanolaminate Condensers for Hot Programmable Catalysis

Nanolaminates composed of thin alternating layers of Al2O 3 and TiO 2 (ATO) were engineered by using atomic layer deposition as the dielectric material for a Pt-on-carbon catalytic condenser. Investigation assessed synthesis parameters including the deposition temperature, Al 2 O 3 and TiO 2 layer thicknesses, total number of layers, and a capping Al 2 O 3 layer on the maximum charge accumulation in the Pt catalyst. The highest capacitance ATO configuration demonstrated a specific capacitance of ∼1200 nF/cm 2 with working voltages of ±5 V, enabling the storage of 4 × 10 13 electrons or holes per cm 2 at room temperature. The ATO devices exhibited enhanced capacitance at elevated temperatures of up to 400 °C, suggesting the suitability of these materials for high-temperature applications. Adsorption of carbon monoxide on the Pt/C-ATO device characterized by grazing incidence infrared spectroscopy showed changes in the surface binding energy of 13.1 ± 0.8 kJ/mol for an applied external voltage bias of ±1 V.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Wave Rotor Enhanced Nuclear (WREN) Propulsion: NASA Innovative Advanced Concepts (NIAC) - Phase I Final Report

Nuclear Thermal Propulsion (NTP) is identified as one of the preferred propulsion technologies for manned missions throughout the solar system (NASA MSFC).[1, 2] The state-ofthe-art NTP cycle is based on a solid core Nuclear Engine for Rocket Vehicle Application (NERVA)[3] class technology (Fig. 1) that is envisioned to provide a specific impulse of 900 seconds doubling chemical rocket performance (450 seconds). Even with this impressive increase, the NTP NERVA designs still have issues providing adequate initial to final mass fractions for high ΔV missions.[4] Nuclear Electric Propulsion (NEP) can provide extremely high Isp (2,000 to over 10,000 seconds) but with only low thrust and limits on mass to power ratios. The need for an electric power source also adds the issue of heat rejection in space where thermal energy conversion is at best 30-40% under ideal conditions. NASA Space Technology Mission Directorate (STMD) has recently expressed interest in finding advanced nuclear propulsion technology through the NASA Go:Thrust RFI.[5, 6] A novel Wave Rotor (WR) topping cycle has been proposed for our NASA NIAC concept. It promises to deliver similar thrust as NERVA class NTP propulsion, but with Isp in the 1,200-2,000 second range. Coupled with an NEP cycle, the duty cycle Isp can further be increased (1,800-4,000 seconds) with minimal addition of dry mass. This bimodal design enables fast transit trajectories for manned missions to Mars and revolutionizes the deep space exploration of our solar system.

Nuclear Thermal Propulsion

Chapter 9 - Pre-Flight Tests

Pre-flight testing is critical to the success of any flight test program. Pre-flight tests are performed to measure and evaluate the characteristics of an aircraft in a non-flying environment and to verify that these characteristics are as desired. Since aircraft systems are becoming more and more complex, conducting proper pre-flight testing to help identify system characteristics and deficiencies prior to flight is more important now than ever before. Much flight test time has been lost fixing problems that should have been found and corrected prior to flight. Accidents have occurred because pre-flight tests and verification procedures were not conducted thoroughly enough to identify the aircraft's characteristics properly or to find system discrepancies. Proper pre-flight testing helps ensure that the aircraft is ready to fly and contributes toward an efficient, productive, and safe flight test program. The reader should be aware that this Section is dedicated to the testing that should take place prior to the first flight. There are other "pre-flight" tests that take place prior to each individual flight. These latter tests are not discussed in this Section. The following paragraphs of this Section describe significant tests that are usually accomplished prior to flying a new or highly modified aircraft. Test objectives, descriptions, products, and requirements are provided in the following subsections: 9.1 Wind tunnel tests 9.2 Simulation tests 9.3 Propulsion tests 9.4 Weight and balance tests 9.5 Ground vibration tests 9.6 Structural loads tests 9.7 Gain margin tests 9.8 Verification and calibration tests 9.9 Taxi tests The specific examples given and the test facilities mentioned in this Section will illustrate the approach taken and the techniques used by the US Air Force; however, they are typical of those used by other test organizations.

Paul W Kirsten

The Operational NASA Anomaly Gas Analyzer and Exploration Follow-Ons

The NASA Anomaly Gas Analyzer (AGA) is the culmination of nearly ten years of advancement of core technology originally developed by Vista Photonics through the Small Business Innovation Research (SBIR) program and expanded using NASA program funding. The AGA is a portable, battery operated, optical gas detection instrument for continuous monitoring of H 2 O, CO 2 , O 2 , CO, NH 3 , HCN, HF, HCl in the spacecraft environment. Real time, in-situ monitored, gas concentrations are communicated at 1 Hz through a built-in display on-orbit and additionally through a serial interface on the ground. The instruments function over the typical range of temperatures and pressures required for the spacecraft environment. A ten-year operational life is targeted. Seven AGA instruments are currently deployed on the International Space Station and two Orion-specific units are manifested for Artemis 2. A variation of the operational AGA is under development for lunar Human Landing Systems. A wider calibrated operating pressure envelope is required in this application. Otherwise, the instruments straightforwardly address lessons learned from the original AGA by improving aspects of thermal control, ruggedness, and ease-of-use. A subset of AGA-developed sensed gases (H 2 O, CO 2 , O 2 ) is the subject of the Primary Constituent Monitor (PCM) development for the Habitation and Logistics Outpost (HALO) destined for lunar orbit. Two PCMs will be installed in HALO as part of the environmental control loop where they will interface with vehicle power and communications. While the basic sensor techniques are unchanged from the AGA, these instruments have been radiation hardened to survive for many years in the harsh target environment. Current development status for these instruments will be presented along with recent developments of a naval submarine variant.

ECLSS

Fracture‐Resistant and Thermally Insulating Ultrahigh‐Temperature Carbide Foams

Dense ultrahigh‐temperature ceramics (UHTCs) carbides are recognized as potential materials for thermal protection systems (TPS) owing to properties beyond existing structural materials’ capabilities. Recent advances in UHTCs have enabled the development of multiscale porous microstructures. Herein, it is highlighted that the porosity in UHTCs are no longer treated as a defect but as a functional property specifically tailored for thermal insulation. It is a promising solution to design and fabricate bulk UHTC foams via a freeze‐drying (FD) approach followed by calibrated pressureless spark plasma sintering. Herein, monolithic TaC and HfC UHTC foams and their composite show the partial solid–solution formation of (Ta, Hf)C with porosity ≥50%. TaC–HfC foam (≈80–92 N) shows an intermediate load‐bearing capability compared to monolithic TaC (≈120–135 N) and HfC (≈28–35 N) foams, with no evident cracking on the sample surface. The thermal conductivity of partial solid‐solution TaC–HfC foam increases up to fivefold compared to parent UHTC foams. In the results, solid solutions’ efficacy and pores’ unidirectionality in providing thermal insulation to TaC–HfC while maintaining its high‐load bearing capability are illustrated. In conclusion, the developed technique establishes a new paradigm shift in UHTCs, expanding their potential for TPS in extreme environments.

36 MATERIALS SCIENCE

The Role of Asparagine as a Gatekeeper Residue in the Selective Binding of Rare Earth Elements by Lanthanide‐Binding Peptides

Abstract Lanthanide‐binding tag (LBT) peptides selectively complex lanthanide cations (Ln 3+ ) in their binding pockets and are promising for lanthanide separation. However, designing LBTs that selectively target specific Ln 3+ cations remains a challenge due to limited molecular‐level understanding and control of interactions within the lanthanide‐binding pocket. In this study, we reveal that the N5 asparagine residue acts as a gatekeeper in the binding pocket, resulting in a 100‐fold selectivity for smaller Lu 3+ over larger La 3+ cations. Nuclear magnetic resonance spectroscopy and molecular dynamics simulations show that the N5 residue weakly binds to the larger La 3+ cation, permitting H 2 O molecules inside the pocket. For the smaller Lu 3+ cations, the N5 residue forms an inter‐arm hydrogen bond with the E14 glutamic acid residue, locking the Lu 3+ cation in the pocket and preventing H 2 O infiltration. Mutating the N5 asparagine to a D5 aspartic acid prevents such a hydrogen bond, eliminating the gatekeeping mechanism and precipitously reducing selectivity. The resulting binding affinity to Ln 3+ cations is non‐monotonic but generally increases with cation size. These results suggest a molecular design paradigm: the reduced affinity for larger lanthanides is due to open pocket conformations, while the selectivity of smaller Ln 3+ cations over larger ones is due to the gatekeeping hydrogen bond.

Chemistry

CIEPAT for Photovoltaic System Resilience

The Cyber-Informed Engineering Photovoltaic Analysis Tool (CIEPAT) was developed in collaboration with the U.S. Department of Energy's Office of Cybersecurity, Energy Security, and Emergency Response (CESER). This tool is an energy source subcomponent integrated into the CIEMAT ecosystem and is developed to enhance the security and resilience of Photovoltaic installations by incorporating Cyber-Informed Engineering (CIE) principles into the deployment of PV systems.

14 SOLAR ENERGY

SimH 2 : an integrated techno-economic modeling framework for hydrogen pipeline infrastructure and network optimization

Large-scale hydrogen (H 2 ) pipeline transport design and network optimization have seldom been reported due to the lack of a cost model accounting for the relationship between transport cost and hydrogen mass flow rate. Here, this work introduced a system-level cost model for hydrogen pipeline transport at supercritical state and integrated it with an existing CO 2 pipeline network tool, SimCCS, for hydrogen-specific pipeline design and optimization. The Intermountain West (I-West) region of the U.S., historically dependent on fossil fuel-based economies, is chosen to demonstrate the capabilities of our H 2 pipeline cost model and transport network optimization platform called SimH 2 . Two scenarios are examined: one where the pipeline is not allowed to pass through disadvantaged communities and the other where it is permitted. The results highlight that incorporating disadvantaged-community constraints lead to longer pipeline routes and increased transport costs, reflecting the trade-offs involved in equitable infrastructure development. It is demonstrated that the newly developed SimH 2 tool not only enables the efficient design of H 2 transportation pipelines but also optimizes the network by accounting for local terrain and the presence of disadvantaged areas.

08 HYDROGEN

Overview of IMPACT Data Acquisition System and Data Reduction Process

This report documents the development of the data acquisition system (DAS) and data reduction methodologies for the Irradiated Material Property Accelerated Characterization Test (IMPACT) experiment at the Advanced Test Reactor (ATR). The IMPACT experiment is designed to enable in-pile measurement of thermal conductivity in metallic nuclear fuels, specifically U-10Zr, using an instrumented thermal conductivity probe. The DAS supports both passive temperature monitoring and active thermal interrogation of the probe through controlled AC and DC excitation. Significant modifications to laboratory-scale systems were required to accommodate the higher resistance paths associated with the in-pile application. Custom electronics and relay-controlled measurement sequencing were developed to enable the measurement and sufficient power delivery to the sensing region. A reduced-order, axisymmetric thermal model based on the thermal quadrupoles method is presented to support data interpretation. This model enables efficient evaluation of transient heat transfer behavior and facilitates solution of the inverse problem required to extract thermal properties from measured signals. Multiple boundary condition formulations are discussed to address varying experimental time scales and geometries. Additionally, machine learning techniques are introduced to support data reduction and improve confidence in inverse solutions. Convolutional neural networks are applied to identify the presence of gas gaps and other evolving geometric features that significantly impact thermal response during irradiation. These efforts contribute to the broader integration of digital twin frameworks and real-time modeling capabilities within the Advanced Fuels Campaign.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN

Plume Impingement Software Module for Real-Time Proximity Operations

Successfully executing proximity operations in space, such as docking or in-orbit servicing, requires sophisticated spacecraft design that accounts for induced environments. As a chaser vehicle’s attitude control thrusters fire, they create rarefied plumes that can impact the target vehicle, with the potential to overload components, exceed thermal limits, and spin the target vehicle out of control. High-fidelity simulations of the thruster plume impingement environment require the direct simulation Monte Carlo (DSMC) method, but DSMC is too computationally expensive to simulate proximity operations that involve thousands of thruster firings. For this analysis to be tractable, engineering models of the plume flowfield and impingement events are used to simulate these trajectories [1]. Currently, on-orbit plume impingement environments are modeled through an inefficient open-loop analysis cycle where the vehicle’s flight controller and plume impingement teams iterate on the trajectories until they pass the target vehicle’s plume requirements. As complex on-orbit missions evolve and become more frequent, lengthy design cycles will become operational bottlenecks. To address this gap, this work develops an advanced plume impingement module capable of operating at real-time scale that can be integrated with existing mission planning tools and onboard flight systems. The plume module leverages state-of-the-art plume simulation techniques [2] to deliver fast, physics-based impingement predictions in a software architecture that can be tailored to diverse proximity operations scenarios. A prototype of this plume impingement module is built to demonstrate the feasibility of real-time performance. This prototype completes plume impingement calculations in microseconds per target geometry mesh point. The software serves as a foundational capability for plume-aware trajectory design, operational risk assessment, and future autonomous decision-making systems.

Plume Impingement

NASA. Johnson Space Center primary battery applications

The role of the Power Branch/EP5 of JSC in primary battery applications is to support those JSC organizations having direct application responsibility with trade studies, battery selection recommendations, and with development, qualification, and provisioning of primary batteries. Battery subsystem management is provided. Payload hazard report preparation is supported, as is the review and comment of such reports for the JSC Payload Safety Panel, who approves the flight safety for all Orbiter payloads. JSC battery users are provided with safety analysis and test support to achieve safety approval. Finally, it is the responsibility of the Power Branch to define and maintain battery safety requirement documentation for JSC.

Bragg, Bob J.

Prioritizing Uncertainties in Hydrogen Contribution to Risk in Post-Crash Outcomes for Rail

This report presents analysis from Sandia National Laboratories predicting contributions to risk associated with the use of hydrogen technology for rail. Event sequence diagrams are used to describe possible accident scenarios and progressions. Initiating event frequencies and branch event probabilities for each scenario are quantified with uncertainty using distributions fit to Federal Railroad Administration and U.S. Department of Transportation Pipeline and Hazardous Materials Safety Administration data on applicable accidents from 2000 to 2020. Uncertainty is propagated through the event sequence diagram to estimate the frequency and conditional probability of accident end states. The analysis identifies four scenarios with significant contributions to risk from hydrogen that are predicted to occur relatively frequently, which may inform priorities for reducing uncertainty. These scenarios are 1) overpressure events resulting from collisions with hydrogen release due to mechanical damage and delayed ignition, 2) jet fire events resulting from collisions with hydrogen release due to mechanical damage and immediate ignition, 3) jet fires resulting from fire or explosion initiating events involving the hydrogen tank and correct operation of the thermally-activated pressure relief device (TPRD) subsequent to the thermal insult, and 4) pressure burst resulting from fire or explosion initiating events involving the hydrogen tank and failure of the TPRD. Delayed and immediate hydrogen ignition probabilities are identified as being highly uncertain and potential candidates for reducing conservatism in the predicted frequencies for these two scenarios.

08 HYDROGEN

Electron Microscopy Studies of Soft Nanomaterials

This review highlights recent efforts on applying electron microscopy (EM) to soft (including biological) nanomaterials. We will show how developments of both the hardware and software of EM have enabled new insights into the formation, assembly, and functioning (e.g., energy conversion and storage, phonon/photon modulation) of these materials by providing shape, size, phase, structural, and chemical information at the nanometer or higher spatial resolution. Specifically, we first discuss standard real-space two-dimensional imaging and analytical techniques which are offered conveniently by microscopes without special holders or advanced beam technology. The discussion is then extended to recent advancements, including visualizing three-dimensional morphology of soft nanomaterials using electron tomography and its variations, identifying local structure and strain by electron diffraction, and recording motions and transformation by in situ EM. On these advancements, we cover state-of-the-art technologies designed for overcoming the technical barriers for EM to characterize soft materials as well as representative application examples. Here, the even more recent integration of machine learning and its impacts on EM are also discussed in detail. With our perspectives of future opportunities offered at the end, we expect this review to inspire and stimulate more efforts in developing and utilizing EM-based characterization methods for soft nanomaterials at the atomic to nanometer length scales in academic research and industrial applications.

Imaging

Equilibrium and non-equilibrium effects in high pressure phase transformations of carbon

The behavior of carbon in the range 1–100 GPa and 1–10 kK is central to problems in planetary interiors, inertial confinement fusion targets, and high-pressure synthesis of carbon-based materials, but experiments in this regime are difficult and often provide only indirect constraints on phase behavior. As a result, phase boundary loci, structure, and limits of metastability at high pressure remain uncertain. In this work, machine-learning enhanced atomistic simulations are used to address this knowledge gap. We determine the melt line up to 100 GPa, the graphite-diamond phase boundary up to the melt line, and analyze structure of the coexisting phases. We show that the coexisting liquid evolves smoothly with pressure without evidence for a first-order liquid–liquid transition. Orientation-resolved graphite melting simulations indicate that basal-plane interfaces develop a dewetting layer and undergo layer-by-layer melting, producing kinetic hysteresis and an apparent orientation dependence of the melt line. Non-equilibrium quenches from the melt are used to construct a kinetically limiting graphite–diamond phase boundary for rapid quenches from above the melt line, and show that graphite is metastable at pressures of up to ≈ 25 GPa. These results provide bounds on equilibrium and metastable behavior in carbon relevant for interpreting high-pressure experiments and for designing synthesis pathways to specific carbon microstructures.

Lyu, Yanjun [Department of Materials Science and E

Vapor Transport Crystal Growth of Mercury-Cadmium-Telluride in Microgravity

Two epitaxial growth experiments of Hg 1-x Cd x Te layers on (100) CdTe substrates in closed ampoules using HgI 2 as a transport agent have been performed during the USML-1 mission. The characterization results to date demonstrate a considerable improvement of the space-grown epitaxial layers relative to ground-control specimens in terms of morphology, compositional uniformity, and structural micro homogeneity. These results show the effects of microgravity and fluid dynamic disturbances on-ground on the deposition and growth processes. The continued analysis of this technologically important system is designed to further elucidate the observed crystallographic improvements and their relation to mass flow.

Heribert Wiedemeier

The Operational NASA Anomaly Gas Analyzer and Exploration Follow-Ons

The NASA Anomaly Gas Analyzer (AGA) is the culmination of nearly ten years of advancement of core technology originally developed by Vista Photonics through the Small Business Innovation Research (SBIR) program and expanded using NASA program funding. The AGA is a portable, battery operated, optical gas detection instrument for continuous monitoring of H 2 O, CO 2 , O 2 , CO, NH 3 , HCN, HF, HCl in the spacecraft environment. Real time, in-situ monitored, gas concentrations are communicated at 1 Hz through a built-in display on-orbit and additionally through a serial interface on the ground. The instruments function over the typical range of temperatures and pressures required for the spacecraft environment. A ten-year operational life is targeted. Seven AGA instruments are currently deployed on the International Space Station and two Orion-specific units are manifested for Artemis 2. A variation of the operational AGA is under development for lunar Human Landing Systems. A wider calibrated operating pressure envelope is required in this application. Otherwise, the instruments straightforwardly address lessons learned from the original AGA by improving aspects of thermal control, ruggedness, and ease-of-use. A subset of AGA-developed sensed gases (H 2 O, CO 2 , O 2 ) is the subject of the Primary Constituent Monitor (PCM) development for the Habitation and Logistics Outpost (HALO) destined for lunar orbit. Two PCMs will be installed in HALO as part of the environmental control loop where they will interface with vehicle power and communications. While the basic sensor techniques are unchanged from the AGA, these instruments have been radiation hardened to survive for many years in the harsh target environment. Current development status for these instruments will be presented along with recent developments of a naval submarine variant.

Air Monitoring