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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 sources NASA NTRS DOE OSTI

NASA NTRSDate not supplied

Assembly and Integration Status of a High Fidelity Ground Test Bed for the Water Processor Assembly

The Water Recovery System (WRS) is a critical component of life support aboard the International Space Station (ISS) and will play an essential role in future missions beyond Low Earth Orbit (LEO). Its primary functional units – the Urine Processor Assembly (UPA), Brine Processor Assembly (BPA), and Water Processor Assembly (WPA) – must be evaluated for extended operation, dormancy resilience, material obsolescence, and reliability under exploration-driven constraints. Ground testing is vital for developing these technologies and generating statistically relevant reliability assessments, which requires extended runtime under integrated, Flight-like conditions. Currently, no high-fidelity, fully integrated WPA ground test bed exists to support these objectives. To address this gap, NASA is developing a WPA test bed at Marshall Space Flight Center (MSFC) that combines downgraded ISS flight hardware with functionally flight-like components in a cost-effective configuration while maintaining priority hardware investigations. This paper describes the current status of hardware assembly and integration, outlines key challenges such as simulating microgravity effects and mitigating obsolescence, and presents future test objectives including software development, reliability assessments, dormancy studies, and exploration-oriented upgrades.

Mary-Elizabeth Davis↗

DOE OSTI2024

Surface phase diagrams from nested sampling

From nested sampling, we compute the partition function and, from that, the phase diagram of gas adsorbates, including their anharmonic and configurational degrees of freedom, on flat and stepped surfaces of the Lennard-Jones solid.

Chemistry↗

DOE OSTI2023

A physics informed bayesian optimization approach for material design: application to NiTi shape memory alloys

Abstract The design of materials and identification of optimal processing parameters constitute a complex and challenging task, necessitating efficient utilization of available data. Bayesian Optimization (BO) has gained popularity in materials design due to its ability to work with minimal data. However, many BO-based frameworks predominantly rely on statistical information, in the form of input-output data, and assume black-box objective functions. In practice, designers often possess knowledge of the underlying physical laws governing a material system, rendering the objective function not entirely black-box, as some information is partially observable. In this study, we propose a physics-informed BO approach that integrates physics-infused kernels to effectively leverage both statistical and physical information in the decision-making process. We demonstrate that this method significantly improves decision-making efficiency and enables more data-efficient BO. The applicability of this approach is showcased through the design of NiTi shape memory alloys, where the optimal processing parameters are identified to maximize the transformation temperature.

Chemistry↗

NASA NTRSDate not supplied

Assembly and Integration Status of a High Fidelity Ground Test Bed for the Water Processor Assembly

Water Processor Assembly↗

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↗

DOE OSTI2021

DEPRECATED AI-Batt-OS (Autonomous Identification of Battery Life Models - Open Source) [SWR 21-17]

DEPRECATED. This repository was archived by the owner on Jun 30, 2026. It is now read-only. Open source implementation of some of the methods utilized by AI-Batt, a battery lifetime modeling and analysis toolkit provided by the National Laboratory of the Rockies (NLR). This software demonstrates the use of bi-level optimization and symbolic regression techniques to semi-autonomously identify algebraic models predicting the capacity fade of lithium-ion batteries during calendar aging. Modeling the degradation of batteries is a complex task, due to the difficulty in separating the time-dependent and time-independent factors impacting cell level degradation, across multiple data series with different numbers of measurements and/or data quality. Bi-level optimization enables model parameters to be optimized to either the entire data set or to individual data series, allowing statistical disambiguation of global behaviors (data series independent) and local behaviors (data series dependent). Symbolic regression is used to automatically search for optimal low-dimesional models predicting the variation of locally optimized parameters versus time-independent experimental variables from millions of possible models, resulting in a more accurate and repeatable model identification process than is possible by a manual search. The provided tools also implement cross-validation and bootstrap resampling schemes, empowering statistical model comparison/selection and quantification of model uncertainties. An example script replicates the results from the manuscript "Challenging Practices of Algebraic Battery Life Models through Statistical Validation and Model Identification via Machine-Learning", submitted to ECS. All code is written in MATLAB. Requires the Statistics and Machine Learning Toolbox. Contact Dr. Paul Gasper at Paul.Gasper@nlr.gov for any questions.

Gasper, Paul [National Renewable Energy Lab. (NREL↗

NASA NTRS1995

Extensional Flow Convecting a Reactant Undergoing a First Order Homogeneous Reaction and Diffusional Mass Transfer From a Sphere at Low to Intermediate Peclet and Damkohler Numbers

Forced convective diffusion-reaction is considered for viscous axisymmetric extensional convecting velocity in the neighborhood of a sphere. For Peclet numbers in the range 0.1 ≤ Pe ≤ 500 and for Damkohler numbers increasing with increasing Pe but in the overall range 0.02 ≤ Da ≤ 10, average and local Sherwood numbers have been computed. By introducing the eigenfunction expansion c(r,Θ) = Σ c n (r)P n (cosΘ) into the forced convective diffusion equation for the concentration of a chemical species undergoing a first order homogeneous reaction and by using properties of the Legendre functions P n (cosΘ), the variable coefficient PDE can be reduced to a system of N+1 second order ODEs for the radial functions C n (r), n=0,1,2, ... ,N. The adaptive grid algorithm of Pereyra and Lentini can be used to solve the corresponding 2(N+ 1) first order differential equations as a two-point boundary value problem on 1 ≤ r ≤ r •• . Convergence of the expansion for a specific value of N can thus be established and provides "spectral" behavior as well as the full concentration field c(r,Θ).

N Y Shah↗

DOE OSTI2026

First Wall Design of a Tokamak Pilot Plant Using a Monte Carlo Model for 3-D Heat Flux Deposition

We present a method for calculating the heat fluxes deposited on nonaxisymmetric tokamak first wall components, allowing for a first-of-its-kind model for power handling in the tokamak far scrape-off layer (SOL). The DIV3D Monte Carlo model features strict global power conservation and can calculate the finite cross-field plasma transport into magnetically-shadowed regions, which is significant when dealing with meter-scale shadows introduced by components such as poloidal limiters or antennas. As a case study, we apply the DIV3D model to inform the distribution of first wall poloidal limiters in an ARC-class reactor device. We demonstrate that discrete protection limiters can efficiently reduce peak heat fluxes on recessed breeder wall components in the presence of significant far-SOL plasma fluxes. By varying the toroidal periodicity and radial standoff depth of the limiters, we demonstrate one of the tradeoffs that must be considered in first wall design: more limiters provide greater protection, but at the cost of reduced breeding performance. We also present the impact that radial misalignments between limiters would have on first wall power loading.

Monte Carlo methods↗

NASA NTRS1976

The Deep Space Network Progress Report 42-33, March and April 1976

This report describes work performed for the JPL/NASA Deep Space Network (DSN). Progress is presented on DSN supporting research and technology, advanced development and engineering, and implementation, and DSN operations which pertain to mission-independent or multiple-mission development as well as to support of flight projects. Each issue contains a description of the functions and facilities of the DSN.

JPL Staff↗

DOE OSTI2026

Heat metrics and thresholds reshape population exposure and inequality signals

Extreme heat is intensifying worldwide, yet estimates of heat hazard and exposure inequality depend on both the heat metric and how extreme days are defined. Using summer 2022 across the Mediterranean, we quantify population heat exposure with four metrics—land surface temperature (LST), air temperature (Ta), heat index (HI), and wet-bulb globe temperature (WBGT)—under absolute (fixed-value) and relative (anomaly-based) thresholds. Under absolute thresholds, total heat exposure differs by more than two orders of magnitude across metrics (31.3 billion person-days for Ta vs 0.3 billion for HI). Geographic hotspots also diverge: WBGT concentrates in humid coastal North Africa (e.g. the Nile Delta), whereas Ta and LST are more widespread. Under relative thresholds, exposure totals converge and cross-metric hotspot agreement increases (e.g. Ta–WBGT top-tercile overlap increases from 10.7% to 29.0%), shifting hotspots toward densely populated southern Europe. Crucially, the exposure–deprivation relationship also reverses across threshold frameworks: absolute thresholds concentrate exposure in more deprived North Africa and the Middle East, whereas relative thresholds shift the burden toward less-deprived European cities. This sensitivity is decision-relevant: city rankings based on WBGT exposure duration are almost completely reordered when switching threshold frameworks. Threshold choice therefore systematically reshapes hotspot patterns and inequality signals. Reporting both absolute and relative exposures can reveal hidden hotspots and support more targeted heat-risk monitoring and intervention planning.

Mediterranean↗

NASA NTRS1983

Control requirements for future battery systems

It is argued that sophisticated battery control systems are required to support the high power, high energy spacecraft secondary battery systems of the post 1985 time period. Four categories of battery control system functions are defined and discussed: battery operational control, auxiliary system control, battery system status indication and fault detection fault isolation. A concept for implementation of such a control system is also presented and discussed.

Masson, J. H.↗

NASA NTRS2026

Highly Porous Polyimide Gel for Use as Battery Separator with Room Temperature Ionic Liquid Electrolytes

Advanced aerospace vehicular concepts require advances in many existing technologies, including space power and energy storage systems. Batteries represent one of the major areas in need of improvement, both in terms of energy density and safety, with growing concerns over the fire safety of commercial lithium-ion batteries. This has prompted efforts to develop nonflammable battery components, namely the electrolyte and separator. Existing commercial lithium-ion batteries utilize polyolefin microporous membranes as separators with an electrolyte consisting of a lithium salt dissolved in a mixture of cyclic carbonate solvents. This separator/electrolyte combination has ionic conductivities in the range of 10 −2 to 10 −3 S/cm. However, the cyclic carbonate solvents are inherently flammable. Room-temperature ionic liquids (RTILs) appear to be a safer alternative. They offer good ionic conductivities and are inherently nonvolatile and nonflammable, giving them a safety advantage. However, many promising RTILs for battery electrolytes are not compatible with commercial polyolefin separator materials. Alternative separator materials, such as polyimides, are non-flammable and are capable of accepting RTILs into their structure. Polyimide gels, with a composition of 4,4′-oxydianiline, 3,3′,4,4′-tetracarboxylic dianhydride and cross-linked with Desmodur N3300A, possess an open-porous, fibrillar network architecture which offers a high degree of porosity (typically greater than 85% porosity) for lithium-ion transport and conduction, as well as good mechanical properties. Furthermore, these polyimide gels are compatible with selected imidazolium-based RTILs. Nonflammable separator/electrolyte systems with room-temperature conductivities in the range of 10 −3 S/cm have been evaluated. It has been demonstrated that 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide was the most promising among six RTILs screened, in terms of both ionic conductivity and constant current cycling.

Polyimide↗

NASA NTRS1984

Avalanche Photodiode Statistics in Triggered-Avalanche Detection Mode

The output of a triggered avalanche mode avalanche photodiode is modeled as Poisson distributed primary avalanche events plus conditionally Poisson distributed trapped carrier induced secondary events. The moment generating function as well as the mean and variance of the diode output statistics are derived. The dispersion of the output statistics is shown to always exceed that of the Poisson distribution. Several examples are considered in detail.

H H Tan↗

NASA NTRS1988

Integrated Inverter And Battery Charger

Circuit combines functions of dc-to-ac inversion (for driving ac motor in battery-powered vehicle) and ac-to-dc conversion (for charging battery from ac line when vehicle not in use). Automatically adapts to either mode. Design of integrated inverter/charger eliminates need for duplicate components, saves space, reduces weight and cost of vehicle. Advantages in other applications : load-leveling systems, standby ac power systems, and uninterruptible power supplies.

Rippel, Wally E.↗

DOE OSTI2024

Enhanced Hydrogen Evolution Catalysis of Pentlandite due to the Increases in Coordination Number and Sulfur Vacancy during Cubic‐Hexagonal Phase Transition

Abstract The search for new phases is an important direction in materials science. The phase transition of sulfides results in significant changes in catalytic performance, such as MoS 2 and WS 2 . Cubic pentlandite [cPn, (Fe, Ni) 9 S 8 ] can be a functional material in batteries, solar cells, and catalytic fields. However, no report about the material properties of other phases of pentlandite exists. In this study, the unit‐cell parameters of a new phase of pentlandite, sulfur‐vacancy enriched hexagonal pentlandite (hPn), and the phase boundary between cPn and hPn are determined for the first time. Compared to cPn, the hPn shows a high coordination number, more sulfur vacancies, and high conductivity, which result in significantly higher hydrogen evolution performance of hPn than that of cPn and make the non‐nano rock catalyst hPn superior to other most known nanosulfide catalysts. The increase of sulfur vacancies during phase transition provides a new approach to designing functional materials.

Chemistry↗

NASA NTRS1990

Development of nickel hydrogen battery expert system

The Hubble Telescope Battery Testbed employs the nickel-cadmium battery expert system (NICBES-2) which supports the evaluation of performances of Hubble Telescope spacecraft batteries and provides alarm diagnosis and action advice. NICBES-2 also provides a reasoning system along with a battery domain knowledge base to achieve this battery health management function. An effort to modify NICBES-2 to accommodate nickel-hydrogen battery environment in testbed is described.

Shiva, Sajjan G.↗

DOE OSTI2024

PAL 2.0: a physics-driven bayesian optimization framework for material discovery

PAL 2.0 provides an efficient discovery tool for advanced functional materials, ameliorating a major bottleneck to enabling advances in next-generation energy, health, and sustainability technologies.

Chemistry↗

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↗