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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

Strong anharmonicity dictates ultralow thermal conductivities of type-I clathrates

Type-I clathrate solids have attracted significant interest due to their ultralow thermal conductivities and sub- sequent promise for thermoelectric applications, yet the mechanisms underlying these properties are not well understood. Here, we extend the framework of vibrational dynamical mean-field theory (VDMFT) to calculate temperature-dependent thermal transport properties of solids using a many-body Green’s function approach. When applied to a coarse-grained description of 𝑋 8 Ga 16 Ge 30 , where 𝑋= Ba, Sr, we find that nonresonant scattering between cage acoustic modes and rattling modes leads to a reduction of acoustic phonon lifetimes and thus thermal conductivities. Moreover, we find that the moderate temperature dependence of conductivities above 300 K, which is consistent with experimental measurements, cannot be reproduced by textbook perturbation theory calculations, which predict a 𝑇 −1 dependence. Therefore, we suggest that nonperturbative anharmonic effects, including four- and higher-phonon scattering processes, are responsible for the ultralow thermal conductivities of type-I clathrates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2026

Thermal Cycle and Capacitance Testing of Mezzo Industries Phase Changer Material Heat Capacitor

Effective Thermal management is essential for the safety and performance of human spacecraft, especially during long-duration missions with fluctuating heat loads. Phase Change Material (PCM) heat exchangers offer a compact, efficient solution by storing and releasing thermal energy through latent heat during phase transitions. This allows PCM systems to buffer transient thermal loads without immediate heat rejection, reducing the need for oversized radiators – particularly critical during ascent and re-entry when radiators are stowed. By maintaining stable temperatures in crew cabins and equipment bays, PCM technology enhances crew comfort, protects sensitive systems, and supports long-term mission sustainability with minimal mass and volume impact. A phase change material heat capacitor prototype, designed and built under a NASA Small Business Innovation Research grant by Mezzo Technologies, utilizes a laser welding microtube manufacturing process that promises increased reliability and performance over current manufacturing methods like brazing. This heat exchanger was tested through coolant thermal cycling within the expected flow rates and temperature range of the Orion spacecraft, the crewed spacecraft taking NASA astronauts to the moon under the Artemis Program. The useful heat storage capacitance was measured and compared to Orion spacecraft requirements.

Active Thermal Control Systems↗
DOE OSTI2026

Monolayer Films of Binary Metal Oxide Nanoparticles for Carbon Nanotube Synthesis

Binary metal oxide nanoparticles (biMO-NPs) combining transition and main-group metals with well-organized atomic architectures have unique potential as robust and economical heterogeneous catalysts. Herein, metal oxide nanoparticles (CoAlxOy) using cobalt and aluminum were synthesized, and their structure, morphology, and chemical composition were investigated using various characterization techniques. The biMO-NPs, which had a Gaussian-type size distribution (∼6 nm), were assembled on plain silicon substrates modified chemically with linker molecules bearing suitable end groups. Surface analysis revealed an ordered, uniform, close-packed arrangement of biMO-NPs forming a monolayer architecture with nanoscale thickness (∼12 nm), high surface uniformity, and negligible defects. The nanoparticle monolayer film (NP-MF) was employed as a catalyst to grow carbon nanotube (CNT) forests via the thermal chemical vapor deposition (CVD) method, similar to those grown from catalyst thin films deposited by physical vapor deposition. Structural characterization confirmed the growth of a dense, uniform, high-quality vertically aligned carbon nanotube (VA-CNT) forest with a length of ∼125 µm, which is comparable to the VA-CNTs grown from expensive thin films. Thus, CNT growth was successfully catalyzed by the biMO-NPs, highlighting a simple and inexpensive alternative for catalyst deposition. In this innovative wet-chemistry approach, the catalyst and catalyst support are combined within a single nanoparticle before NP-MF assembly. Interestingly, this approach provides a scalable and cost-effective pathway for CNT growth, eliminating the need for expensive thin deposition techniques.

Regmi, Bishow [University of Cincinnati]↗
NASA NTRS1984

Solar Absorptance and Thermal Emittance of Some Common Spacecraft Thermal-Control Coatings

Solar absorptance and thermal emittance of spacecraft materials are critical parameters in determining spacecraft temperature control. Because thickness, surface preparation, coatings formulation, manufacturing techniques, etc. affect these parameters, it is usually necessary to measure the absorptance and emittance of materials before they are used. Absorptance and emittance data for many common types of thermal control coatings, are together with some sample spectral data curves of absorptance. In some cases for which ultraviolet and particle radiation data are available, the degraded absorptance and emittance values are also listed.

John H Henninger↗
DOE OSTI2026

Mechanistic origin of solvent-dependent thermal stability in sodiated Sn anodes for sodium-ion batteries

Understanding the thermal stability of high-energy density alloy anodes is critical for the safe deployment of sodium-ion batteries (SIBs). Here, accelerating rate calorimetry (ARC), post-mortem characterizations, and density functional theory (DFT) calculations are combined to understand the thermal reactivity of fully sodiated Sn, Sn-hard carbon (HC) blends, and HC anodes in carbonate- and ether-based electrolytes. ARC measurements show that propylene carbonate (PC) causes earlier self-heating rate (SHR) onset and higher reactivity than tetraethylene glycol dimethyl ether (TEGDME), indicating inferior thermal stability. Sodiated Sn exhibits better thermal stability than sodiated HC, while Sn-HC blends show intermediate behavior that improves with increasing Sn content. Post-ARC analyses reveal desodiation of Na15Sn4 to metallic Sn with particle coalescence, whereas Sn-HC blends and HC retain finer morphologies. PC promotes Sn oxidation to SnO, while TEGDME suppresses oxide formation; NaPF6-containing electrolytes additionally form NaF. DFT calculations show that PC adsorption lowers Na extraction energy and enhances interfacial electronic interactions, facilitating Na release and reductive decomposition. These results establish a direct correlation between solvent-dependent reaction pathways and thermal stability in SIB alloy anodes.

Accelerating rate calorimetry↗
NASA NTRS2026

Atacama Cosmology Telescope A Measurement of Galaxy Cluster Temperatures Through Relativistic Corrections to the Thermal Sunyaev-Zeldovich Effect

The high electron temperature in galaxy clusters (> 1 keV or > 107 K) leads to corrections at the level of a few percent in their thermal Sunyaev-Zeldovich effect signatures. Both the size and frequency dependence of these corrections, which are known as relativistic temperature corrections, depend upon the temperature of the objects. In this work we exploit this effect to measure the average temperature of a stack of Compton-y selected clusters. Specifically, we apply the “spectroscopic method” and search for the temperature that best fits the clusters’ signal measured at frequencies from 30 to 545 GHz by the Atacama Cosmology Telescope and Planck satellite. We measure the average temperature of clusters detected in the Atacama Cosmology Telescope maps to be 8.5 2.4 keV, with an additional systematic error of comparable amplitude dominated by passband uncertainty. Upcoming surveys, such as the Simons Observatory and CMB-S4, have the potential to dramatically improve upon these measurements and thereby enable precision studies of cluster temperatures with millimeter observations. The key challenge for future observations will be mitigating instrumental systematic effects, which already limit this analysis.

William R Coulton↗
NASA NTRS1996

Space Electrochemical Research and Technology

Individual papers presented at the conference address the following topics: development of a micro-fiber nickel electrode for nickel-hydrogen cell, high performance nickel electrodes for space power application, bending properties of nickel electrodes for nickel-hydrogen batteries, effect of KOH concentration and anions on the performance of a Ni-H2 battery positive plate, advanced dependent pressure vessel nickel hydrogen spacecraft cell and battery design, electrolyte management considerations in modern nickel hydrogen and nickel cadmium cell and battery design, a novel unitized regenerative proton exchange membrane fuel cell, fuel cell systems for first lunar outpost - reactant storage options, the TMI regenerable solid oxide fuel cell, engineering development program of a closed aluminum-oxygen semi-cell system for an unmanned underwater vehicle, SPE OBOGS on-board oxygen generating system, hermetically sealed aluminum electrolytic capacitor, sol-gel technology and advanced electrochemical energy storage materials, development of electrochemical supercapacitors for EMA applications, and high energy density electrolytic capacitor.

Richard M Wilson↗
NASA NTRSDate not supplied

Bosch Carbon Catalyst Regeneration in Water I: Bosch Carbon Removal from Reacted Beads Utilizing Mechanical Agitation

The ability to recover oxygen from metabolic carbon dioxide is crucial for crewed long duration missions in which the atmosphere must be recycled. Two physiochemical methods are primarily employed for this purpose: the Bosch process and the Sabatier reaction. This paper focuses on the Bosch process. It utilizes hydrogen in the presence of a catalyst to form water and solid carbon out of metabolic carbon dioxide. The solid carbon product deposits onto the catalyst and eventually causes reactor over pressurization issues. Multiple methods are currently being investigated to regenerate the catalyst’s surface and break up the pressure causing carbon clogs. This paper explores whether water and mechanical abrasion would work to remove Bosch carbon by testing multiple washing conditions. The different washing conditions involved agitation intensity, heating, duration, and volume of water. It was found that it is possible to break up the clumps of carbon formed in the reactor through agitation with room temperature water in one hour and shows promise for completely cleaning the carbon off the beads’ surface.

Agitation↗
DOE OSTI2026

Microstructure prediction for Ti-22Al-25Nb in laser powder bed fusion

This work presents a physics-informed framework for predicting solidification morphology and defect susceptibility in additively manufactured Ti–22Al–25Nb across a broad processing space. The framework integrates solidification microstructure selection (SMS) analysis with a single-track defect-based printability map to establish a unified methodology linking processing parameters to both interfacial morphology and manufacturability. Thermal gradients G and solidification rates R are first computed using the Thermo-Calc Additive Manufacturing (TC-AM) module, a finite-interface-dissipation (FID) phase-field (PF) model coupled with CALPHAD method is then employed to systematically distinguish planar and dendritic regimes as functions of $G$ and $R$. By superimposing the printability map onto the morphology projections, a comprehensive process–structure framework is obtained. Across most processing conditions, the predicted microstructure is predominantly dendritic, while planar growth emerges only under selected laser power $P$ and scan speed $v$ combinations. In addition to morphology classification, the framework quantifies the dendritic area fraction and introduces a width-based morphology descriptor to characterize the spatial extent of planar/dendritic regions within the melt pool. It provides mechanistic insight into the interplay between solidification physics and defect formation, offering practical guidance for parameter selection and microstructural control in Ti–22Al–25Nb additive manufacturing (AM).

36 MATERIALS SCIENCE↗
DOE OSTI2023

Photoelectrochemical materials for solar energy conversion

Research and development on semiconductors for applications in solar energy conversion has witnessed rapid growth over the past several decades. With the aim of producing chemical fuels from sunlight, intense research efforts have focused on the discovery of semiconductors with crystalline structures and chemical compositions that have the potential to satisfy the complex set of required photoelectrochemical properties. This chapter focuses on the foundational structure-property relationships of selected oxide and nitride semiconductors relevant to their uses as n-/p-type photoelectrodes and as photocatalysts. Their solid-state structures and compositions are described, with a special emphasis on strategies proven effective at targeting suitable band gaps with strong visible-light absorption, efficient charge separation and diffusion of charge carriers, and optimal band edge energies for driving surface redox reactions for water splitting.

O’Donnell, Shaun↗
NASA NTRS2026

Moon Base Transportation - Deliveries to the Lunar Surface

Development of the Moon Base will enable a home away from home for astronauts who will live and work at humanity’s first lunar outpost. In this effort, NASA’s Moon Transportation Office is responsible for enabling the transformational missions required to deliver habitats, supplies, science payloads, and all other elements needed to cultivate a permanent presence on the Lunar Surface. The Mission Concept (MC) is characterized through evaluation of an end-to-end architecture that can successfully deliver a generalized heavy large-volume payload, in excess of 4000 kg, to a precision landing and touchdown on the lunar surface. The mission architecture utilizes a single launch configuration of a Lunar Lander (LL) with a unique propellant system. The LL has an integral orbital transfer capability and features jettisonable elements. The design circumvents the need for prop transfer on orbit and multiple launch configurations. The launch vehicle (LV) for this work will assume the capability to deliver a payload in excess of 40,000 kg to orbit, affording multiple LV solutions. Considerations for the LL and payload deployment from the fairing are assumed to be handled through compliance with a launch providers’ Interface Requirements Document (IRD). The MC will span from launch at Kennedy Space Center (KSC) to terminal descent and touchdown on the lunar surface, requiring a total ΔV on the order of 6 km/s beyond what is required to get the vehicle stack to a 200 km circular Low Earth Orbit (LEO). Major mission phases include: launch and launch vehicle separation, transfer operations, pre-landing navigation, and lunar descent and touchdown. A Concept of Operations (ConOps) is used as the primary design driver for defining architecture of the vehicles necessary to achieve final payload delivery. Numerous ground rules and assumptions will be provided for each phase of the mission. Concept designs for the LL is presented. An emphasis of the design maximizes a feasible path for maturation, manufacturing, and operation. A self-imposed practical consideration for this effort is the incorporation of legacy designed hardware to minimize expensive, time-intensive, and high-risk hardware development cycles. The propulsion system of the LL adopts a conventional storable bipropellant configuration of monomethyl hydrazine (MMH) and mixed oxides of nitrogen (MON3). This effort will showcase a unique propellant delivery system to minimize the reliance on propellant management devices (PMDs) during descent. Numerous key constraints have been considered, across the multiple segments of the mission. These include the unique aspects of center of gravity (CG) management, thruster plume effects including self-impingement, propulsion system hardware limitations, navigation during multiple mission phases, and landing gear geometry for uneven terrain. These constraints shape the trades necessary for precision landing of heavy cargo and ensure compatibility with broader Moon Base Transportation concepts. The resulting insights inform future transportation strategies for the Moon and beyond; directly contributing to the development of cargo‑delivery standards that will support the long‑term buildup of a sustainable, continuously inhabited Moon Base.

Lunar Habitat↗
DOE OSTI2026

Unraveling interphase-driven failure pathways in LiMn0.6Fe0.4PO4/graphite pouch cells

LiMnxFe1−xPO4 (LMFP) is a promising high-voltage, thermally stable, and earth-abundant cathode material, yet its practical application is limited by interphase instability and Mn dissolution. In this work, we systematically evaluate LiMn0.6Fe0.4PO4/graphite pouch cells using three electrolyte formulations including control carbonate electrolyte, control + 2 wt% vinylene carbonate (VC), and control + 2 wt% VC + 1 wt% 1,3,2-dioxathiolane 2,2-dioxide (DTD), to establish how electrolyte composition governs interphase chemistry and long-term degradation. Electrochemical testing shows that both additives are preferentially reduced prior to ethylene carbonate (EC) during cell formation, generating robust cathode-electrolyte interphase (CEI) and solid-electrolyte interphase (SEI) layers that suppress gas evolution and raise the first-cycle coulombic efficiency to 89.3%. Additionally, the dual-additive electrolyte delivers the most stable performance, retaining over 85% capacity after 600 cycles while minimizing impedance growth under long-term cycling at C/3 and 40 °C. Soft X-ray absorption spectroscopy confirms that VC + DTD effectively suppresses electrolyte oxidation at the cathode surface, and micro-X-ray fluorescence shows substantially reduced Mn dissolution and deposition on the graphite anode. Density functional theory simulations further provided insights into the structural and energetic influences of alkoxide species on the cathode surface, proposing a Mn2+ extraction mechanism. The combined experimental and computational findings establish a mechanistic link between electrolyte composition and interphase evolution, highlighting the effectiveness of electrolyte engineering for extending the operational lifetime of LMFP-based lithium-ion batteries.

Chak, Chanmonirath Michael↗
DOE OSTI2026

Sodium-Ion Battery Cathode with Dominating Copper and Oxygen Redox Chemistry

Sodium-ion batteries offer low-cost energy storage solutions for the grid and electric vehicles, leveraging the established "rocking-chair" Li-ion design and the natural abundance of sodium. However, SIBs face challenges such as relatively lower voltage and capacity than lithium-ion batteries, as well as dependence on nickel resources. Here, in this work, a new nickel-free cathode material, Na 0.75 Li 0.08 Cu 0.25 Mn 0.66 O 2 , was designed and synthesized. This material has a capacity of ~125 mAh/g and an average discharge voltage of 3.5 V. Notably, more than one-third of the capacity arises from lithium substitution of Cu (~8 mol.%) and high voltage activation to 4.6 V. Multimodal synchrotron x-ray characterization combining spectroscopy, microscopy, and scattering reveal the capacity is primarily from the redox of copper and oxygen, with a minor contribution from the manganese redox. Lithium substitution alters the phase transition mechanism from a two-phase transition in P3-Na 2/3 Cu 1/3 Mn 2/3 O 2 to a solid-solution in Na 0.75 Li 0.08 Cu 0.25 Mn 0.66 O 2 , enhancing the reversibility of this material.

25 ENERGY STORAGE↗
NASA NTRS1993

Development of global/chemistry model for jet-fuel thermal stability based on observations from static and flowing experiments

Two global-chemistry models for oxidative deposition of jet fuels are evaluated by integrating them into a Computational Fluid Dynamics with Chemistry (CFDC) code. A previously developed two-step global-chemistry model was found to be insufficient to describe the thermal-oxidation and -deposition rates associated with a Jet-A fuel. A new global-chemistry model has been developed systematically based on observations from flowing and static experiments. The global-autoxidation reaction is modified such that the reaction rate becomes zeroth-order with respect to the dissolved oxygen concentration. The generation of deposit-forming precursor is coupled with the autoxidation reaction by introducing a radical species ROO. A formulation for the sticking probability has also been developed. Deposition profiles are well represented by this new model under a variety of temperature and flow conditions. The model correctly predicts the changes in magnitude and spatial location of the deposition peak due to changes in flow. The CFDC model, which is designed for flowing systems, has been extended to static experiments. The model incorporates a non-depleting species F(sub s) representing all non-oxygen compounds responsible for deposition. Static experiments were found to provide a useful and inexpensive method for estimating the concentration of F(sub s) in the fuel.

V. R. Katta↗
NASA NTRS2026

Hybrid Modeling Study on Grain Evolution in the Metal Welding Process and Its Potential Lunar Application

Metal is most commonly used structural material in a wide range of spacecraft, and welding is the principal method for joining metal components into functional systems. However, conducting welding experiments under extreme environments—such as microgravity or vacuum conditions in space—is prohibitively expensive and experimentally challenging. To overcome these limitations, multi-physics computational welding models provide a cost-effective and versatile alternative. In this work, the authors have developed a coupled thermal (fluid) microstructure simulation framework to model metal welding under varying gravity conditions. The framework integrates a mixed-mode heat transfer formulation (conduction, convection, and radiation) with molten pool fluid dynamics, enabling accurate prediction of temperature fields and weld-pool geometry. A grain growth model is further incorporated to capture the spatial and temporal evolution of microstructure, including grain size distribution and morphological transitions during solidification. This approach provides detailed insight into molten pool evolution and grain-level microstructure development throughout the welding process. By explicitly parameterizing environmental conditions, the model supports extrapolation to off-Earth manufacturing scenarios such as welding on the lunar surface. Tantalum—chosen in this study due to its high melting point, oxidation resistance, and mechanical stability at elevated temperatures—serves as the material system for model demonstration. Beyond Tantalum, the integrated multi-physics framework offers broad applicability for predictive welding simulations of various structural and refractory metals or alloys used in extreme terrestrial or extraterrestrial environments.

kinetic Monte Carlo (SPPARKS)↗
DOE OSTI2026

Atomic faulting drives exceptional toughness in low thermal expansion chromium alloys

Endowing functional properties with mechanical responses in traditional metals has been a frontier topic, akin to transforming base metal into gold. Chromium and its alloys, with their functional deficiencies and limited ductility, serve as typical examples. Herein, we report a Cr96Fe4Ge1.3B1 alloy that unifies low thermal expansion (LTE, αl = 1.79 × 10-6 K-1, 200 − 315 K) with exceptional toughness (240.2 J·cm-3). The enhancement in mechanical responses is primarily attributed to layered Cr2B intermetallic precipitates, which ameliorate interfacial cohesion and simultaneously refine the grain structure. The weakened interlayer interactions within the Cr-B layers facilitate the nucleation and movement of numerous tiny stacking faults in precipitates, efficiently alleviating strain energy and resulting in marked work-hardening ability. Additionally, antiferromagnetic fluctuations in the BCC matrix contribute to the unique LTE behavior. This paves the way for the design of high-performance alloys featuring layered-symmetry precipitates.

Yu, Chengyi [University of Science and Technology ↗