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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
DOE OSTI2025

Linear Dichroism of the Optical Properties of SnS and SnSe Van der Waals Crystals

Abstract Tin monochalcogenides SnS and SnSe, belonging to a family of Van der Waals crystals isoelectronic to black phosphorus, are known as environmentally friendly materials promising for thermoelectric conversion applications. However, they exhibit other desired functionalities, such as intrinsic linear dichroism of the optical and electronic properties originating from strongly anisotropic orthorhombic crystal structures. This property makes them perfect candidates for polarization‐sensitive photodetectors working in near‐infrared spectral range. A comprehensive study of the SnS and SnSe crystals is presented, performed by means of optical spectroscopy and photoemission spectroscopy, supported by ab initio calculations. The studies reveal the high sensitivity of the optical response of both materials to the incident light polarization, which is interpreted in terms of the electronic band dispersion and orbital composition of the electronic bands, dictating the selection rules. From the photoemission investigation the ionization potential, electron affinity and work function are determined, which are parameters crucial for the design of devices based on semiconductor heterostructures.

Chemistry↗
NASA NTRS1999

International Ultraviolet Explorer (IUE) Battery History and Performance

The "International Ultraviolet Explorer (IUE) Battery History and Performance" report provides the information on the cell/battery design, battery performance during the thirty eight (38) solar eclipse seasons and the end-of-life test data. It is noteworthy that IUE spacecraft was an in-house project and that the batteries were designed, fabricated and tested (Qualification and Acceptance) at the Goddard Space Flight Center. A detailed information is given on the cell and battery design criteria and the designs, on the Qualification and the Acceptance tests, and on the cell life cycling tests. The environmental, thermal, and vibration tests were performed on the batteries at the battery level as well as with the interface on the spacecraft. The telemetry data were acquired, analyzed, and trended for various parameters over the mission life. Rigorous and diligent battery management programs were developed and implemented from time to time to extend the mission life over eighteen plus years. Prior to the termination of spacecraft operation, special tests were conducted to check the battery switching operation, battery residual capacity, third electrode performance and battery impedance.

Rao, Gopalskrishna M.↗
NASA NTRSDate not supplied

Thermal Design and Thermal Vacuum Testing of the StarBurst Instrument

The StarBurst Multimessenger Pioneer is a small satellite mission serving as a wide-field gamma-ray observatory designed to capture the initial emissions of short gamma-ray bursts, electromagnetic signatures of neutron star mergers. This paper presents the final thermal design and analysis of the StarBurst Instrument, comprising the bus-to-instrument interface plate, control electronics, and twelve crystal detector units, which form the core of the mission’s science capability. The passive thermal control system design requires consideration of restrictive keep-out zones, unknown orbital parameters, and narrow temperature limits of the detectors. Also summarized is the instrument level thermal vacuum cycle test, correlated model refinements, and updated model results. Following successful completion of the instrument test campaign, the hardware was integrated with the spacecraft bus for spacecraft level testing, including additional thermal vacuum testing. The results from the spacecraft level thermal vacuum test will further inform the instrument thermal model, ensuring accurate flight temperature predictions. StarBurst launches as a secondary payload in 2027 and has a mission duration of at least one year.

StarBurst↗
DOE OSTI2026

Virtual Growth of SRF Materials

Niobium's native surface oxide affects SRF cavity and superconducting qubit performance, motivating interest in controlling its crystalline structure. We combine a literature-derived machine-learning analysis with temperature-dependent XRD to study crystalline ordering in Nb2O5. Random Forest models, trained on 74 processing conditions from 17 papers and validated by leave-one-group-out cross-validation, predicted broad crystallinity outcomes well (balanced accuracy 0.809), but struggled with specific polymorph identity (0.577). Annealing temperature was the dominant predictor across all targets; oxygen partial pressure showed negligible importance, reflecting narrow literature coverage rather than physical irrelevance. Temperature-dependent XRD on anodized and H2O2-treated Niobium showed structural evolution consistent with the machine learning predictions. Our model and overall approach provide a data-driven framework for identifying and optimizing conditions that promote crystallization in initially amorphous oxides. This framework can guide the selection of growth and post-annealing conditions for Nb surfaces by narrowing the experimental parameter space, thereby reducing trial-and-error efforts in developing oxide structures relevant to SRF applications.

Tilkin, Anthony [Fermilab]↗
DOE OSTI2026

Microscopic Scattering Approach to In-Gap States

We develop a microscopic scattering formalism to describe Yu-Shiba-Rusinov (YSR) states due to a single Cr adatom on the Bi-terminated surface of beta Bi2Pd, by combining ab initio Wannier functions with a real-space Green's function approach in the Bogoliubov-de Gennes formalism[1]. Our framework reproduces key scanning tunneling spectroscopy features, including a single particle-hole asymmetric YSR peak and isotropic dIdV maps around the impurity. Decomposing the YSR states reveals contributions from four nearly degenerate C4v representations, with energy broadening masking their individual signatures. Spin-orbit coupling induces partial spin polarization, while the spatial asymmetry between particle and hole components arises from Cr d-Bi p hybridization. These results highlight the importance of realistic band structures and microscopic modeling for interpreting STM data for magnetic in-gap states on superconductors. Further advances examining layered 2D material surfaces, such as NbSe2, will be described[2]. For this system the superconducting properties are obtained from a full anisotropic Eliashberg calculation of the superconducting order parameter along with the charge density wave gap. Additional features associated with proposals to measure the dynamics of these individual YSR states will be presented. [1] arXiv:2507.08740 [2] arXiv:2507.11856

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Conformational Isomerization of Imide Anions Governs Solvation and Transport in Water-in-Salt Electrolytes

The behavior of highly concentrated electrolytes departs radically from the dilute-solution theory, yet the molecular origin of this transformation remains unresolved. Here, we identify the conformational isomerization of molecular ions as a decisive, previously unrecognized control parameter governing structure and transport in crowded aqueous electrolytes. Across a series of fluorosulfonimide anions, we show that increasing concentration drives a collective shift from extended transoid to compact cisoid conformers, revealed by small-angle X-ray scattering, vibrational spectroscopy, pulsed-field gradient NMR, and molecular dynamics simulations. This conformational transition triggers a collapse of the hydrogen-bonded water network and the emergence of densely packed ionic domains with confined water, producing a qualitative change in Li+ transport from solvent-mediated diffusion to network-confined hopping. Anion size and asymmetry systematically tune the onset of this transition, demonstrating that molecular geometry dictates mesoscale organization and dynamics in the ion-rich regime. Our results establish ion conformation, not merely composition or coordination, as a fundamental thermodynamic variable in concentrated solutions, providing a chemical framework that unifies solvation structure and transport in water-in-salt electrolytes and suggesting new principles for designing dense ionic media.

Nguyen, Huong TD↗
NASA NTRS2026

Parameterization of Nuclear Electric Propulsion Trajectories for Outer Solar System Science Missions Methodology

This manuscript addresses the methodology used to create a database of low thrust missions to outer planets. This database utilizes previous work modeling NEP systems to determine the maximum delivered mass to outer planets based on a range of mission parameters, such as time of flight, launch vehicle, and power system mass. Trajectories were selected which best utilized NEP benefits. Additionally, a discussion on the database outputs for missions to Saturn is included, such as time of flight based on trajectory type and maximum payload, given a specific launch vehicle. The purpose of this work was to create a basis for future mission design, and a tool to investigate general trends across mission options.

Outer Planets↗
NASA NTRSDate not supplied

In-Space Laser Forming Simulated Under Thermal Vacuum (TVAC) Conditions

NASA Marshall Space Flight Center is investigating laser forming under thermal vacuum conditions representative of the space environment through a partnership with the DARPA NOM4D program. The thermal gradient mechanism (TGM) is used to bend a metal sheet towards the laser optics. Laser equipment and process parameters are being optimized for thermal vacuum conditions. Such conditions are representative of the extreme cold and hot temperatures and high vacuum that exist on orbit or on the lunar surface. in situ photogrammetry and thermography assess the bend/counterbend and elucidate the TGM in thermal vacuum. Structured light scanning and metallography after bending reveal the macroscopic and microscopic structure after TGM.

thermal vacuum↗
DOE OSTI2024

Light–Material Interactions Using Laser and Flash Sources for Energy Conversion and Storage Applications

Abstract This review provides a comprehensive overview of the progress in light–material interactions (LMIs), focusing on lasers and flash lights for energy conversion and storage applications. We discuss intricate LMI parameters such as light sources, interaction time, and fluence to elucidate their importance in material processing. In addition, this study covers various light-induced photothermal and photochemical processes ranging from melting, crystallization, and ablation to doping and synthesis, which are essential for developing energy materials and devices. Finally, we present extensive energy conversion and storage applications demonstrated by LMI technologies, including energy harvesters, sensors, capacitors, and batteries. Despite the several challenges associated with LMIs, such as complex mechanisms, and high-degrees of freedom, we believe that substantial contributions and potential for the commercialization of future energy systems can be achieved by advancing optical technologies through comprehensive academic research and multidisciplinary collaborations.

Materials Science↗
DOE OSTI2024

Method of tuning physical properties of thermosets

Polymerization-induced phase separation enables fine control over thermoset network morphologies, yielding heterogeneous structures with domain sizes tunable over 1-100 nm. However, the controlled chain-growth polymerization techniques exclusively employed to regulate morphology at these length scales are unsuitable for most thermoset materials typically formed through step-growth mechanisms. By employing binary mixtures in place of the classic constituents of phase-separating thermosets—resin, curing agent, and secondary polymer—facile tunability over morphology can be achieved through a single compositional parameter. Indeed, this method yields morphologies spanning nano-scale to macro-scale, controlled by the relative reactivities and thermodynamic compatibility of the network components. Due to the connection between chain dynamics and microstructure in these materials, the tunable morphology enables exquisite control over glass transition and other physical and mechanical properties.

Jones, Brad Howard↗
DOE OSTI2022

Variational Quantum Circuits to Prepare Low Energy Symmetry States

We explore how to build quantum circuits that compute the lowest energy state corresponding to a given Hamiltonian within a symmetry subspace by explicitly encoding it into the circuit. We create an explicit unitary and a variationally trained unitary that maps any vector output by ansatz A(α → ) from a defined subspace to a vector in the symmetry space. The parameters are trained varitionally to minimize the energy, thus keeping the output within the labelled symmetry value. The method was tested for a spin XXZ Hamiltonian using rotation and reflection symmetry and H 2 Hamiltonian within S z = 0 subspace using S 2 symmetry. We have found the variationally trained unitary gives good results with very low depth circuits and can thus be used to prepare symmetry states within near term quantum computers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Machine Learning for Multipactor Susceptibility Prediction in Planar RF Gaps

Multipactor discharge is a nonlinear electron avalanche that limits the performance of high-power radio-frequency (RF) and vacuum electronic devices. Predicting multipactor susceptibility traditionally relies on Monte Carlo or particle-in-cell (PIC) simulations, which become computationally expensive for large parametric studies. In this work, we present a supervised machine-learning (ML) framework for prediction of multipactor susceptibility in a two-surface planar geometry. The models are trained using high-fidelity PIC simulation generated susceptibility data and learn the relationship between operational parameters, geometry, and material-dependent secondary electron emission properties. The proposed approach enables rapid reconstruction of susceptibility charts while preserving the physical structure of multipactor growth regions.

43 PARTICLE ACCELERATORS↗
NASA NTRSDate not supplied

Final Thermal Design and Thermal Vacuum Testing of the StarBurst Instrument

The StarBurst Multimessenger Pioneer is a small satellite mission serving as a wide-field gamma-ray observatory designed to capture the initial emissions of short gamma-ray bursts, electromagnetic signatures of neutron star mergers. This paper presents the final thermal design and analysis of the StarBurst Instrument, comprising the bus-to-instrument interface plate, control electronics, and twelve crystal detector units, which form the core of the mission’s science capability. The passive thermal control system design requires consideration of restrictive keep-out zones, unknown orbital parameters, and narrow temperature limits of the detectors. Also summarized is the instrument level thermal vacuum cycle test, correlated model refinements, and updated model results. Following successful completion of the instrument test campaign, the hardware was integrated with the spacecraft bus for spacecraft level testing, including additional thermal vacuum testing. The results from the spacecraft level thermal vacuum test will further inform the instrument thermal model, ensuring accurate flight temperature predictions. StarBurst launches as a secondary payload in 2027 and has a mission duration of at least one year.

StarBurst↗
DOE OSTI2024

Phonon screening and dissociation of excitons at finite temperatures from first principles

The properties of excitons, or correlated electron–hole pairs, are of paramount importance to optoelectronic applications of materials. A central component of exciton physics is the electron–hole interaction, which is commonly treated as screened solely by electrons within a material. However, nuclear motion can screen this Coulomb interaction as well, with several recent studies developing model approaches for approximating the phonon screening of excitonic properties. While these model approaches tend to improve agreement with experiment, they rely on several approximations that restrict their applicability to a wide range of materials, and thus far they have neglected the effect of finite temperatures. Here, we develop a fully first-principles, parameter-free approach to compute the temperature-dependent effects of phonon screening within the ab initio GW -Bethe–Salpeter equation framework. We recover previously proposed models of phonon screening as well-defined limits of our general framework, and discuss their validity by comparing them against our first-principles results. We develop an efficient computational workflow and apply it to a diverse set of semiconductors, specifically AlN, CdS, GaN, MgO, and SrTiO 3 . We demonstrate under different physical scenarios how excitons may be screened by multiple polar optical or acoustic phonons, how their binding energies can exhibit strong temperature dependence, and the ultrafast timescales on which they dissociate into free electron–hole pairs.

Science & Technology - Other Topics↗
NASA NTRSDate not supplied

High-Resolution Global Ocean Simulation in the SWOT ERA: Introducing ECCO Llc4320v2

The Surface Water and Ocean Topography (SWOT) mission is opening up new opportunities to evaluate and drive improvement in km-scale global ocean and atmosphere-ocean models via its simultaneous swath observations of sea-surface height, wind speed, and significant wave height down to 2 km scales globally. Motivated by this, we have initiated a collaborative effort at NASA Ames to run a new global ocean-sea-ice simulation in MITgcm at a nominal 1/48-deg resolution of the year 2023 that enables direct comparisons with SWOT observations. New features relative to a prior simulation at a similar resolution of the year 2012 include much more realistic tidal forcing, thermodynamic coupling in ice-shelf cavities, high-frequency hourly atmospheric forcing, much improved river runoff, double the vertical resolution in the deep ocean (173 vs 90 levels), updated bathymetry including improvements in finescale bathymetry derived from SWOT, and updated vertical mixing scheme parameters that improve the equatorial Pacific circulation.

ECCO↗
DOE OSTI2026

Fingerprinting Superconductors by Disentangling Andreev and Quasiparticle Currents Across Tunable Tunnel Junctions

Tunneling Andreev reflection (TAR) spectroscopy provides a new approach to identify superconducting pairing symmetry at the atomic scale. Using atomistic superconducting transport simulations, we reveal the mechanism by which TAR can distinguish between pairing symmetries, which is complementary to traditional conductance-based techniques. In particular, owing to the additivity of the excess tunneling decay rate, the TAR spectrum is a weighted average of the contributions from quasiparticle currents, Andreev reflection, and higher-order scattering processes, and their relative weights depend on both the superconducting order parameter and the coupling strength. Within the local tunneling model, TAR dominates mid-gap conductance for s-wave superconductors, is suppressed for d-wave, and coexists with quasiparticle tunneling in sign-changing symmetries if the expectation value for the superconducting gap remains finite. Meanwhile, higher-order processes generally enhance the TAR signal when GN exceeds approximately 0.1G0. As a result, TAR provides a rich spectral fingerprint of the underlying pairing symmetry and electronic structure, enabling atomically resolved identification of unconventional superconducting states.

Maksymovych, Petro [Clemson University]↗
NASA NTRS2009

General Purpose Data-Driven Monitoring for Space Operations

As modern space propulsion and exploration systems improve in capability and efficiency, their designs are becoming increasingly sophisticated and complex. Determining the health state of these systems, using traditional parameter limit checking, model-based, or rule-based methods, is becoming more difficult as the number of sensors and component interactions grow. Data-driven monitoring techniques have been developed to address these issues by analyzing system operations data to automatically characterize normal system behavior. System health can be monitored by comparing real-time operating data with these nominal characterizations, providing detection of anomalous data signatures indicative of system faults or failures. Data-driven techniques have a number of advantages over other methods for monitoring complex space vehicles. Unlike model-based systems, the developer does not need to understand or encode the internal operation of the system. The knowledge required to monitor the system is automatically derived from archived data from system operation. Unlike rule-based systems, data-driven systems do not require system analysts to define nominal relationships among sensors. Analysts can and often do determine these relationships for a system with few sensors; it is more difficult to analytically determine the nominal relationship among a large number of sensors. Data-driven techniques are not limited to low-dimensional spaces and work as effectively with dozens of parameters as they do with a few. Knowledge bases formed by data-driven techniques are also easy to update. As the operating envelope of the monitored system is expanded, data-driven techniques can be quickly retrained to incorporate the new behavior into the knowledge base. The expertise and time-consuming process of updating a model or rule base to maintain consistency with the new operation is not required. 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 analysis of archived events. System data is compared with the nominal IMS model to produce a measure of how well current system behavior matches the normal behavior defined by the training data. Significant deviations from the nominal system model can provide alerts to system malfunctions or precursors of significant failures. The scope of IMS based data-driven monitoring applications continues to expand with current development activities. Successful IMS deployment in the International Space Station (ISS) flight control room to monitor ISS attitude control systems has led to applications in other ISS flight control disciplines, such as thermal control. It has also generated interest in data-driven monitoring capability for Constellation, NASA's program to replace the Space Shuttle with new launch vehicles and spacecraft capable of returning astronauts to the moon, and then on to Mars. Several projects are currently underway to evaluate and mature the IMS technology and complementary tools for use in the Constellation program. These include an experiment on board the Air Force TacSat-3 satellite, and ground systems monitoring for NASA's Ares I-X and Ares I launch vehicles. The TacSat-3 Vehicle System Management (TVSM) project is a software experiment to integrate fault and anomaly detection algorithms and diagnosis tools with executive and adaptive planning functions contained in the flight software on-board the Air Force Research Laboratory TacSat-3 satellite. The TVSM software package will be uploaded after launch to monitor spacecraft subsystems such as power and guidance, navigation, and control (GN&C). It will analyze data in real-time to demonstrate detection of faults and unusual conditions, diagnose problems, and react to threats to spacecraft health and mission goals. The experiment will demonstrate the feasibility and effectiveness of integrated system health management (ISHM) technologies with both ground and on-board experiments. Initially, the TVSM software will run open loop, providing system health information and recommendations to ground operators, without automatically performing fault-mitigating corrective actions. After the end of the satellite's mission, closed loop tests combining TVSM monitoring and diagnosis with reactive capabilities by the flight software will be performed. In addition to monitoring for long periods of actual operation, the experiment will include fault injection into TacSat-3 data as well as commanded operations to test and evaluate automatic ISHM monitoring and recovery under controlled conditions.

Satellites↗
DOE OSTI2026

Are CO2 batteries ready for the grid? A cross-cutting deployment checklist

Metal-CO2 batteries have attracted considerable research interest in the past decade due to the utilization of the greenhouse CO2 gas. The low cost and abundance of CO2 feedstocks, together with high specific capacity metal anodes, make this technology a promising candidate for electricity-demanding data centers and grids. However, nonstandard data reporting, ambiguous hardware designs, and questionable cycling parameters have emerged as the field has grown. A clear checklist and standardized reporting format for research and development are urgently needed. Here, after carefully re-analyzing 15 Na-CO2 and 9 Li-CO2 studies, we propose a general checklist and a flowchart for CO2 batteries and related gas conversion systems. Specific performance values from a deployment-oriented perspective, based on commercial lithium iron phosphate batteries, are integrated into the list. We frame research and development efforts around grid-relevant outputs, including areal rate and capacity, cyclability, gas utilization, and safety. While illustrated for Na- and Li-CO2 cells, this framework is directly transferable to other CO2 batteries and air/oxygen batteries, helping align benchtop demonstrations with systematic metrics that ultimately govern future deployment.

Wu, Wenda [ORNL] (ORCID:000900033307687X)↗