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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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All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Simulations of Yarn Micro-Mechanics of Woven Heat Shield Materials

Carbon and phenolic fibers are commonly used in ablative thermal protection materials, such as 3-dimensional Mid-Density Carbon Phenolic (3MDCP), a 3D-woven composite comprised of mixed-fiber yarn bundles. Predicting the micro-mechanical response and fracture of twisted yarns composed of brittle and ductile fibers requires a modeling approach that captures per-fiber yielding, fiber fracture, and inter-fiber friction and contact. This work presents an extended bonded particle model (BPM) for discrete element method (DEM) simulation of fiber and yarn mechanics, implemented in LAMMPS. The model builds on the incremental bond formulation of Guo et al. and introduces a piecewise elasto-plastic constitutive law for axial extension, enabling representation of fibers that yield before failure. 3MDCP yarns were constructed using measured fiber radius distributions and helical twist geometry. Tensile simulations of single-ply 3MDCP yarns show good agreement with vender stress–strain results. Fiber breakage models also show details on yarn breakage propagration, centered radially in the yarn. Yarn breakage of multi-ply 3MDCP also matched experimental observations in per-ply breakage; however, predicted yarn breakage strength were found higher than experimental observations.

Discrete Element Method↗
NASA NTRSDate not supplied

Simulations of Yarn Micro-Mechanics of Woven Heat Shield Materials (3MDCP)

Carbon and phenolic fibers are commonly used in ablative thermal protection materials, such as 3-dimensional Mid-Density Carbon Phenolic (3MDCP), a 3D-woven composite comprised of mixed-fiber yarn bundles. Predicting the micro-mechanical response and fracture of twisted yarns composed of brittle and ductile fibers requires a modeling approach that captures per-fiber yielding, fiber fracture, and inter-fiber friction and contact. This work presents an extended bonded particle model (BPM) for discrete element method (DEM) simulation of fiber and yarn mechanics, implemented in LAMMPS. The model builds on the incremental bond formulation of Guo et al. and introduces a piecewise elasto-plastic constitutive law for axial extension, enabling representation of fibers that yield before failure. 3MDCP yarns were constructed using measured fiber radius distributions and helical twist geometry. Tensile simulations of single-ply 3MDCP yarns show good agreement with vender stress–strain results. Fiber breakage models also show details on yarn breakage propagration, centered radially in the yarn. Yarn breakage of multi-ply 3MDCP also matched experimental observations in per-ply breakage; however, predicted yarn breakage strength were found higher than experimental observations.

Woven↗
DOE OSTI2026

A New Shutdown Dose Rate Benchmark Problem for Representative Fusion Applications

Here, this work introduces a new benchmark problem for calculating shutdown dose rates (SDDRs) aimed at fusion reactor applications. The model is designed to represent a simplified version of a typical ITER port plug. The responses of interest include neutron flux, gamma flux, and gamma SDDR at 12 different locations scattered throughout the port. This article outlines the geometry specifications of the problem, provides material definitions for the components, specifies the required responses to be calculated, and presents the source definition information. The need for this benchmark arises from the limited availability of publicly accessible references, with only one benchmark representing the typical dimensions and materials found in fusion systems. This existing benchmark has been cited extensively, reflecting the demand within the scientific community to test both established and novel workflows for SDDR calculations. However, since its presentation at a conference in 2011, the results have become increasingly well known. Moreover, the absence of formal publication and peer review has led to the details of this benchmark being extracted from secondary sources, such as subsequent studies that reference it. As a result, analysts are left with significant flexibility in interpreting the key parameters, which can be adjusted to account for unknown systematic errors, ultimately reproducing the already well-known responses. This new benchmark serves as an updated version of that earlier work, with the aim of providing a more reliable description of the materials and their impurities, which is crucial for assessing activation and subsequent gamma emission. Additionally, it seeks to provide a geometry that more closely represents an ITER port plug. The improvements in the problem definition will lead to a more reproducible benchmark problem, while also presenting the radiation transport community with a completely new challenge. The results will be published in a future article to allow analysts adequate time to analyze this problem independently.

Benchmark↗
NASA NTRS2026

Benchmarking Bayesian Optimization Frameworks and Acquisition Strategies for Materials Discovery and Autonomous Laboratories

Bayesian optimization (BO) can accelerate materials discovery by guiding expensive experiments toward the most promising processing conditions. We systematically compare five BO surrogate and framework combinations (Gaussian processes in Ax, Gaussian processes and Monte-Carlo neural networks in BayBE, random forests in Lolopy, and tree-structured Parzen (TPE) estimators in Hyperopt) on three benchmarks that mimic common materials design tasks (a discrete solid-electrolyte composition space, a hybrid discrete/continuous laminate-composite design problem solved with micromechanics modeling, and the continuous Ishigami analytic function which is a standard optimization benchmark). Each BO surrogate is paired with posterior mean, probability of improvement, and expected improvement acquisition functions and run for 100 trials from randomized initial samples with uniform random search providing a control. Across five random seeds per setting, BayBE’s Gaussian-process surrogate with expected improvement consistently reached ≥95 % of the known optimum in the fewest evaluations, while Lolopy’s random forest matched or exceeded GP performance on purely categorical or mixed spaces at a higher computational cost. Posterior mean alone often stagnated at local optima, underscoring the need for exploration, whereas probability and expected improvement balanced exploration and exploitation leading to better optimization in fewer trials. Execution times ranged from milliseconds for TPE to minutes for neural-network and random-forest surrogates. These results establish baseline expectations for BO in automated materials laboratories and highlight expected improvement with Gaussian processes as a reliable first choice, with random forests offering a strong alternative when categorical variables dominate. The benchmark suite and code are released to facilitate future surrogate, acquisition, and constraint-handling research in data-driven materials optimization.

Bayesian optimization↗
DOE OSTI2026

Ferrimagnetism of ultracold fermions in a multiband Hubbard system

Strongly correlated materials feature multiple electronic orbitals, which are crucial to accurately understanding their many-body properties. In such multiband models, quantum interference can lead to flat energy bands with large degeneracy that gives rise to itinerant magnetic phases. Here, we report on signatures of a ferrimagnetic state realized in a Lieb lattice with ultracold fermions, characterized by antialigned magnetic moments with antiferromagnetic correlations, and concomitant with a finite spin polarization. The signatures remain robust when increasing repulsive interactions from the weakly interacting to the Heisenberg regime and emerge when continuously tuning the lattice unit cell from a square to a Lieb geometry. Our flexible approach paves the way toward exploring exotic phases, such as quantum spin liquids in kagome lattices and heavy fermion behavior in Kondo models.

Lebrat, Martin [Harvard Univ., Cambridge, MA (Unit↗
DOE OSTI2025

Semiconducting Electrides Derived from Sodalite: A First-Principles Study

Electrides are ionic crystals, with electrons acting as anions occupying well-defined lattice sites. These exotic materials have attracted considerable attention in recent years for potential applications in catalysis, rechargeable batteries, and display technology. Among this class of materials, electride semiconductors can further expand the horizon of potential applications due to the presence of a band gap. However, there are only limited reports on semiconducting electrides, hindering the understanding of their physical and chemical properties. In recent work, we initiated an approach to derive potential electrides via selective removal of symmetric Wyckoff sites of anions from existing complex minerals. Herein, we present a follow-up effort to design semiconducting electrides from parental complex sodalites. Among four candidate compounds, we found that a cubic Ca 4 Al 6 O 12 structure with the I-43m space group symmetry exhibits perfect electron localization at the sodalite cages, with a narrow electronic band gap of 1.8 eV, making it suitable for use in photocatalysis. Analysis of the electronic structures reveals that a lower electronegativity of the surrounding cations drives greater electron localization and promotes the formation of an electride band near the Fermi level. Our work proposes an alternative approach for designing new semiconducting electrides under ambient conditions and offers guidelines for further experimental exploration.

36 MATERIALS SCIENCE↗
NASA NTRS2026

Isotopic Signature of Organic Molecules from Beyond the Solar System: An Enriched Methane D/H Ratio in the Interstellar Object 3I/ATLAS

Interstellar objects are interlopers from other planetary systems, and their volatile compositions provide a glimpse into planet formation around their host star. We present near-infrared spectra of the coma of interstellar object 3I/ATLAS measured with the James Webb Space Telescope. Our results demonstrate an unexpectedly high D/H = (3.31 ± 0.34)% for methane and represent an exceedingly rare detection of deuterated organic molecules in an interstellar object. This D/H ratio is a factor of 14 ± 2 higher than that measured in comet 67P/Churyumov-Gerasimenko by the Rosetta spacecraft, the only other comet for which CH3D has been detected, yet the ratio of deuteration in methane compared with water is consistent for both comets within 1.2σ. The D/H ratio in methane is observationally unconstrained in extrasolar sources to date, but the enriched ratio in 3I/ATLAS is most similar to those measured in other organic molecules toward primitive environments. The high D/H ratios of water and methane in 3I/ATLAS are a natural consequence of formation in a high D/H elemental ratio environment as a result of locally cold conditions in the protoplanetary disk and prior interstellar cloud. Thus, 3I/ATLAS formed in an environment very different from that in which our Sun and planets originated.

Interstellar Object 3I/ATLAS↗
NASA NTRSDate not supplied

SuperHERO X-ray Telescope Balloon Mission

The SuperHERO hard X-ray telescope will observe extended sources at unprecedented imaging resolution, revealing the origins of non-thermal emission in extreme astrophysical environments. Employing NASA Marshall Space Flight Center’s replicated NiCo full-shell X-ray mirror technology to achieve better than 10-arcsecond half-power diameter (HPD) angular resolution on a balloon platform, SuperHERO consists of seven identical, co-aligned telescopes with a combined effective area of 45 cm² at 30 keV. SuperHERO was selected in the APRA 2023 call as a five-year mission, with an inaugural two-day flight scheduled from Fort Sumner, New Mexico, in the fall of 2028. For its initial target, SuperHERO will observe the Crab pulsar wind nebula, localizing hard X-ray emission. Mission development is currently underway, with updates and status to be provided in this presentation.

Nick Thomas↗
DOE OSTI2025

Magnet-superconductor hybrid quantum systems: a materials platform for topological superconductivity

Magnet–superconductor hybrid (MSH) systems have recently emerged as one of the most significant developments in condensed matter physics. This has generated, in the last decade, a steadily rising interest in the understanding of their unique properties. They have been proposed as one of the most promising platforms for the establishment of topological superconductivity, which holds high potential for application in future quantum information technologies. Their emergent electronic properties stem from the exchange interaction between the magnetic moments and the superconducting condensate. Given the atomic-level origin of such interaction, it is of paramount importance to investigate new magnet–superconductor hybrids at the atomic scale. In this regard, scanning tunneling microscopy (STM) and spectroscopy are playing a crucial role in the race to unveil the fundamental origin of the unique properties of MSH systems, with the aim to discover new hybrid quantum materials capable of hosting topologically non-trivial unconventional superconducting phases. In particular, the combination of STM studies with tight-binding model calculations have represented, so far, the most successful approach to unveil and explain the emergent electronic properties of MSHs. The scope of this review is to offer a broad perspective on the field of MSHs from an atomic-level investigation point-of-view. The focus is on discussing the link between the magnetic ground state hosted by the hybrid system and the corresponding emergent superconducting phase. This is done for MSHs with both one-dimensional (atomic chains) and two-dimensional (atomic lattices and thin films) magnetic systems proximitized to conventional s-wave superconductors. We present a systematic categorization of the experimentally investigated systems with respect to defined experimentally accessible criteria to verify or falsify the presence of topological superconductivity and Majorana edge modes. The discussion will start with an introduction to the physics of Yu–Shiba–Rusinov bound states at magnetic impurities on superconducting surfaces. This will be used as a base for the discussion of magnetic atomic chains on superconductors, distinguishing between ferromagnetic, antiferromagnetic and non-collinear magnetic ground states. A similar approach will be used for the discussion of magnetic thin film islands on superconductors. Given the vast number of publications on the topic, we limit ourselves to discuss works which are most relevant to the search for topological superconductivity.

Majorana states↗
DOE OSTI2026

Update on Radiochemical Assessment of High Burnup Commercially Irradiated Fuel

This work documents an effort to collect burnup measurements on a high burnup rod, designated 6XV, and first cycle accident tolerant fuel (ATF) rod, designated 47I, to enable benchmarking of fuel performance codes and neutronics codes. In addition to measurements, Virtual Environment for Reactor Applications (VERA) full-core-depletion analysis was also performed for the rods that were experimentally analyzed to provide an opportunity for code validation. This effort focuses on collecting data from rods irradiated at Byron Generating Station and shipped to the Oak Ridge National Laboratory (ORNL) hot-cells. This data will also anchor non-destructive examination evaluations of burnup of the various fuel rods undergoing postirradiation examination (PIE) at ORNL. Previous PIE of these fuel rods provides some guidance on the burnup trend across the fuel. Axial gamma spectroscopy scans provide a measure of relative changes in burnup across a fuel pin. Mass spectrometry based burnup measurements performed for this work at specific axial locations in the fuel are fully quantitative. By combining the mass spectrometry data with the gamma scans it is possible to more quantitatively evaluate axial variations in burnup across the entire fuel pin [1]. The combined set of burnup evaluations will be made available to other organizations that have an interest in high burnup radiochemistry data for validation of neutronic simulations and source term evaluation such as the Nuclear Regulatory Commission (NRC).

Harp, Jason [Oak Ridge National Laboratory (ORNL),↗
DOE OSTI2025

Tunable Metasurface External-Cavity Quantum Cascade Lasers up to 5.74 THz

Vertical-external-cavity surface-emitting lasers based on amplifying quantum-cascade metasurfaces are demonstrated in the 5–6 THz range for the first time. Enhanced parasitic coupling to lossy surface modes requires updated design guidelines, while elevated losses and lower available material gain limit the scaling of the metasurface period from previous designs. A series of metasurface devices with varying periods employing both uniform and focusing metasurfaces is fabricated and characterized. Reducing the metasurface period below 70% of the free-space wavelength enables devices with superior performance, achieving pulsed operation up to 5.74 THz with peak output powers of 1.3 mW, maximum operating temperatures up to 83 K, and continuous-wave operation up to 54 K with 23 μW of output power. In the best case, single-mode tuning from 5.23–5.73 THz, which corresponds to a 9.1% fractional tuning, is realized with near-Gaussian far-field profiles maintained across the entire range. Finally, these results establish quantum cascade vertical-external-cavity surface-emitting lasers as promising candidates for high-frequency local oscillator applications in heterodyne spectroscopy.

gallium arsenide↗
NASA NTRS2005

Chapter 24 - Propulsion

This chapter provides a basic guide to the flight testing of propulsion system operability and compatibility (O&C). For the purposes of establishing a frame of reference, O&C refers to the ability of the aircrew to establish and maintain the desired level of propulsion system net propulsive force throughout the operating envelope of the aircraft. For the purposes of definition, net propulsive force is used to refer to the vector resultant of all throttle dependant forces acting upon the aircraft. By limiting the discussion in this Section to flight testing of the O&C of the propulsion system, it should not be interpreted to mean that these are the only factors that need to be considered when conducting flight test to evaluate an aircraft propulsion system. Propulsion system structural interfaces, pneumatic interfaces, mechanical interfaces, hydraulic interfaces, thermodynamic interfaces and electrical interfaces must all be evaluated prior to or concurrently with the O&C test program in order to ensure a safe and effective flight test program of the aircraft and propulsion system.

Lawrence A Thomas↗
DOE OSTI2026

Adaptation of virtual synchronous generators to dynamic conditions in power grids

Virtual synchronous generators (VSGs) are widely adopted as grid-forming controls for inverter-based resources. However, when grid conditions vary significantly as characterized by changes in short-circuit ratio (SCR) and the reactance-to-resistance (X/R) ratio, fixed-gain designs and the commonly used P–Q decoupling assumption can become inaccurate. Such conditions can degrade transient power performance, leading to oscillations, prolonged settling, and overshoot, particularly in stiff-grid operating points. This paper quantifies how grid strength and impedance-dependent coupling affect the active–reactive power dynamics of a conventional VSG over a broad range of SCR and X/R values. An adaptive VSG tuning framework is then developed by combining (i) a coupling-explicit, impedance-parameterized state-space model to enable systematic controller synthesis, (ii) a full-state-feedback law designed via pole placement to meet prescribed damping and settling-time specifications, and (iii) a physics-informed neural network (PINN)–based online grid-impedance estimator that updates controller gains in real time as grid conditions vary. Offline simulations in MATLAB/Simulink and real-time validation on an OPAL-RT platform show that the proposed method preserves consistent damping and settling behavior with reduced overshoot across wide SCR and X/R ranges, compared with fixed-gain VSG baselines.

Adaptive control↗
NASA NTRS2005

Chapter 17 - Airframe Tests

This Section outlines the flight testing required to demonstrate that each of the systems installed in an aircraft is suitable for its operational role(s). It is primarily written from the perspective of a military Flight Test Engineer (FTE) but most of the contents are applicable to civil aircraft. Reflecting the introductory nature of this Volume, its scope is limited to systems normally found in all aircraft, e.g., fuel, hydraulic, electrical, etc., systems. The tests described below are usually made under the prevailing ambient conditions and, to assess behaviour under climatic extremes and in all weathers, further testing is conducted as described in Section 18. Tests of the propulsion system are covered separately in Section 23, but for systems associated with specific roles the reader should consult appropriate specialized sources.

J K Appleford↗
DOE OSTI2026

Rapid Quantum Ground State Preparation via Dissipative Dynamics

Inspired by natural cooling processes, dissipation has become a promising approach for preparing low-energy states of quantum systems. However, the potential of dissipative protocols remains unclear beyond certain commuting Hamiltonians. This work provides significant analytical and numerical insights into the power of dissipation for preparing the ground state of noncommuting Hamiltonians. For quasi-free dissipative dynamics, including certain 1D spin systems with boundary dissipation, our results reveal a new connection between the mixing time in trace distance and the spectral properties of a non-Hermitian Hamiltonian, leading to an explicit and sharp bound on the mixing time that scales polynomially with system size. For more general spin systems, we develop a tensor network-based algorithm for constructing the Lindblad jump operator and for simulating the dynamics. Using this algorithm, we demonstrate numerically that dissipative ground state preparation protocols can achieve rapid mixing for certain 1D local Hamiltonians under bulk dissipation, with a mixing time that scales logarithmically with the system size. We then prove the rapid mixing result for certain weakly interacting spin and fermionic systems in arbitrary dimensions, extending recent results for high-temperature quantum Gibbs samplers to the zero-temperature regime. Together, these results show that dissipation can be a powerful tool for ground state preparation, with potential applications across condensed matter physics, quantum materials science, and beyond.

decoherence↗
NASA NTRS1992

Long Duration Exposure Facility experiment M0003 deintegration observation database

The four trays of the M0003 materials experiment on LDEF contained 1274 samples from 19 subexperiments. The complete sample complement represented a broad range of materials, including thin film optical coatings, paints, polymer sheets and tapes, adhesives, and composites, for use in various spacecraft applications including thermal control, structures, optics, and solar power. Since some subexperiments included duplicate samples exposed on the leading and trailing edge trays, for 9 week, 19 week, 40 week, and 68 month durations on both the leading and trailing edges, comparisons provided a valuable time history of degradation. During the deintegration of the subexperiments from the M0003 trays, each sample was examined using bright field, dark field, and Normarski light microscopy techniques. Over 3,000 color macrographs and photomicrographs were made of the condition of M0003 trays and the individual samples. Records of the condition of the samples, photographic records, and all available references of publications on postflight analyses on each sample were collected in a database. The photographs provide a visual comparison of the response of materials common to various subexperiments in different LDEF environments. Aerospace Corporation is distributing the database records and photographs and written records on materials of interest from the database is given in this presentation.

S. R. Gyetvay↗
NASA NTRS1989

Characterization testing of a 40 Ahr bipolar nickel hydrogen battery

In a continuing effort to develop NiH2 bipolar technology to a point where it can be used efficiently in space flight, testing of a second 40 Ahr, 10-cell bipolar battery has begun. This battery has undergone extensive characterization testing to determine the effects of such operating parameters as charge and discharge rates, temperature, and pressure. The fundamental design of this actively cooled bipolar battery is the same as the first battery. Most of the individual components, however, are from different manufacturers. Different testing procedures as well as certain unique battery characteristics make it difficult to directly compare the two sets of results. In general, the performance of this battery throughout characterization produced expected results. The main differences seen between the first and second batteries occurred during the high-rate discharge portion of the test matrix. The first battery also had poor high-rate discharge results, although better than those of the second battery. Minor changes were made to the battery frame design used for the first battery in an attempt to allow better gas access to the reaction sites for the second build and hopefully improve performance. The changes, however, did not improve the performance of the second battery and could have possibly contributed to the poorer performance that was observed. There are other component differences that could have contributed to the poorer performance of the second battery. The H2 electrode in the second battery was constructed with a Goretex backing which could have limited the high-rate current flow. The gas screen in the second battery had a larger mesh which again could have limited the high-rate current flow. Small scale 2 x 2 batteries are being tested to evaluate the effects of the component variations.

Brewer, Jeffrey C.↗
DOE OSTI2025

Dissipative Phase Transition in the Two-Photon Dicke Model

We explore the dissipative phase transition of the two-photon Dicke model, a topic that has garnered significant attention recently. Our analysis reveals that while single-photon loss does not stabilize the intrinsic instability in the model, the inclusion of two-photon loss restores stability, leading to the emergence of superradiant states, which coexist with the normal vacuum states. Using a second-order cumulant expansion for the photons, we derive an analytical description of the system in the thermodynamic limit, which agrees well with the exact calculation results. Additionally, we present the Wigner function for the system, shedding light on the breaking of the 𝑍4 symmetry inherent in the model. These findings offer valuable insights into stabilization mechanisms in open quantum systems and pave the way for exploring complex nonlinear dynamics in two-photon Dicke models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗