Search NASA⌕ Search

SEARCH · Search NASA

Results for “single atom sites”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

580 records · Page 15
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Preliminary Dynamic Modeling of the Quarter-Scale Distributed Electric Propulsion Aircraft

This presentation describes the early-stage modeling of a quarter-scale distributed electric propulsion aircraft, based on the SUbsonic Single Aft eNgine (SUSAN) Electrofan, a transformative concept aircraft for which a model exists. The full-scale 180 passenger SUSAN concept has a single turbofan engine in the tail that both produces thrust and provides electrical power to 16 electric fans distributed across the wings utilizing a series/parallel hybrid architecture. The quarter-scale version would have an internal combustion piston engine to provide power to 17 electric fans–16 on the wings, one in the tail–in a series hybrid configuration, and no vertical or horizontal stabilizers. It would also have a reduced flight envelope in terms of both altitude and speed. The initial modeling approach is to scale down the original airframe model to capture the dynamic behavior of a much smaller aircraft, albeit with an empennage. The original powertrain model is then replaced with one representing the physical components of that of the quarter-scale vehicle. This powertrain model is suitable for control design and analysis, and the fully integrated, although preliminary, aircraft model allows flight simulator testing and evaluation. Results from simulations are presented.

electrified aircraft propulsion↗
NASA NTRS2026

Preliminary Dynamic Modeling of the Quarter-Scale Distributed Electric Propulsion Aircraft

This paper describes the early-stage modeling of a quarter-scale distributed electric propulsion aircraft, based on the SUbsonic Single Aft eNgine (SUSAN) Electrofan, a transformative concept aircraft for which a model exists. The full-scale 180 passenger SUSAN concept has a single turbofan engine in the tail that both produces thrust and provides electrical power to 16 electric fans distributed across the wings utilizing a series/parallel hybrid architecture. The quarter-scale version would have an internal combustion piston engine to provide power to 17 electric fans–16 on the wings, one in the tail–in a series hybrid configuration, and no vertical or horizontal stabilizers. It would also have a reduced flight envelope in terms of both altitude and speed. The initial modeling approach is to scale down the original airframe model to capture the dynamic behavior of a much smaller aircraft, albeit with an empennage. The original powertrain model is then replaced with one representing the physical components of that of the quarter-scale vehicle. This powertrain model is suitable for control design and analysis, and the fully integrated, although preliminary, aircraft model allows flight simulator testing and evaluation. Results from simulations are presented.

Electrified powertrain↗
NASA NTRSDate not supplied

Powering the Lunar Surface: Managing Dust, Extreme Environments, and Power Needs

Power availability remains one of the primary constraints for lunar surface science. This talk reviews power requirements from previously flown instruments to help prepare future payloads for upcoming CLPS opportunities and highlights the testing and environmental simulation capabilities at NASA JSC that enable reliable lunar payload development. It also outlines the power needs, environmental challenges, and emerging technologies required to support sustained human and robotic operations on the lunar surface as part of NASA’s Moon to Mars strategy. Key challenges include variable solar illumination at polar and equatorial regions, extreme thermal environments, and dust driven degradation that limit current surface power systems. The science data needed for resource identification and landing site planning will allow for the successful preparation of crewed Artemis activities and long-term presence. Building on recent missions, current test infrastructure, and emerging power technology pathways, this presentation equips industry, academia, and government teams with the information needed to design robust lunar payloads, reduce development risk, and fully leverage the increasing cadence of CLPS missions. These developments will form a critical technical foundation for long duration lunar presence and future Mars exploration.

lunar power↗
DOE OSTI2026

Aerosol Can Fireball Tests: Commodity Hazards in the Transportation Environment Phase 1 Report

This report describes a series of tests performed at Sandia’s burn site to better understand the behavior of aerosol commodities and their hazards in the transportation environment. This comes on the tail of a prior study on the use cases and historical hazards associated with aerosol commodities in the shipping environment (Cambridge Systematics Incorporated, CSI, 2020). It is also mindful of the National Fire Protection Agency NFPA30B standard for safe warehousing of aerosol commodities. Warehousing is different from transit because warehousing typically involves active suppression and mitigation measures not practical or relevant to the shipping environment. Transit also typically involves tighter packing and smaller enclosure spaces. The transportation hazard space has not been heavily studied in prior testing specifically aimed towards the ground, rail, and nautical shipping environments.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

The cluster decomposition of the configurational energy of multicomponent alloys

Abstract The cluster expansion method (CEM) is a widely used lattice-based technique in the study of multicomponent alloys. Despite its prevalent use, a clear understanding of expansion terms is lacking. We present a modern mathematical formalism of the CEM and introduce thecluster decomposition—a unique and basis-independent decomposition for functions of the atomic configuration in a crystal. We identify the cluster decomposition as an invariant ANOVA decomposition; and demonstrate how functional analysis of variance and sensitivity analysis can be used to interpret interactions among species. Furthermore, we show how the mathematical structure of the cluster decomposition enables numerical evaluation that scales with the number of clusters and is independent of the number of species. Overall, our work enables rigorous interpretations of interactions among species, provides opportunities to explore parameter estimation beyond linear regression, introduces a numerical efficient implementation, and enables analysis of cluster expansions based on established mathematical and statistical principles.

Chemistry↗
DOE OSTI2025

Nuclear quantum effects in molecular liquids across chemical space

Abstract Nuclear quantum effects (NQEs) influence many physical and chemical phenomena, particularly those involving light atoms or occurring at low temperatures. However, their impact has been carefully quantified in few systems-like water-and is rarely considered more broadly. Here we use path-integral molecular dynamics to systematically investigate NQEs on thermophysical properties of 92 organic liquids at ambient conditions. Depending on chemical constitution, we find substantial impact across thermal expansivity, compressibility, dielectric constant, enthalpy of vaporization, and notably molar volume, which shows consistent, positive quantum-classical differences up to 5%; similar, less pronounced trends manifest as isotope effects from deuteration. Using data-driven analysis, we identify three features-molar mass, classical hydrogen density, and classical thermal expansivity-that accurately predict NQEs and facilitate understanding of how characteristics like branching and heteroatom content influence behavior. This work highlights the broad relevance of NQEs in molecular liquids, while also providing a conceptual and practical framework to anticipate their impact.

Science & Technology - Other Topics↗
DOE OSTI2026

Tunable magnetic excitations in the honeycomb antiferromagnet (Co,Ni)⁢TiO3

The solid solution of the honeycomb antiferromagnet (AFM) Co0.5⁢Ni0.5⁢TiO3 (CNTO) was synthesized by mixing a 1:1 molar ratio of CoTiO3 (CTO) and NiTiO3 (NTO). Powder neutron scattering was used to determine the structure and magnetic spectrum, where the nuclear and magnetic structures resemble those of the end members. The Néel temperature (T𝑁 = 27 ± 1 K), the ordered magnetic moment (M = 2.29 ± 0.03 𝜇𝐵 per magnetic ion), and lattice parameters are intermediate between those of the two. From inelastic neutron scattering, it is observed that the magnon density of states (MDOS) extends up to 13 meV, and the interaction can be described by an XXZ-type magnetic Hamiltonian. Above 15 meV, spin-orbit excitons (SOEs) are observed similarly to those in CTO, but with modified spin-orbit crystal-field splitting because of the substitution of Ni at Co sites, and the disorder induced by the Ni substitution modifies the spin-orbit crystal field. Thus, the magnetic dynamics of the CNTO cannot be described as a simple average of the two parent compounds.

Rathnayaka, Srimal [University of Virginia, Charlo↗
NASA NTRSDate not supplied

Solvent-Free Preparation of High Energy, Binder-Free Electrodes Enabled by Dry Compressible Holey Graphene

Graphene is an atomically thick sheet consisting of a graphitic carbon network with excellent mechanical strength, electrical and thermal conductivity, and chemical stability. Holey graphene, a structural derivative of graphene, has an array of through-the-thickness holes across the lateral surface of the nanosheet. The presence of these holes has minimal detrimental effect on the graphene properties and leads to enhanced performance in applications such as electronics, sensors, and energy storage. For example, these holes allow more facile cross-plane ion and gas transport than intact graphene, making holey graphene an ideal electrode material for electrochemical energy storage. This presentation will focus on the ability of holey graphene to be compression molded into robust articles or architectures under solvent-free conditions without the need for potentially parasitic binders. The unique dry compressibility of holey graphene has enabled facile fabrication of high mass loading electrodes with both high density and high porosity, which have found use in supercapacitors and various high-energy battery systems such as lithium-oxygen, lithium-sulfur, and lithium-selenium batteries.

Yi Lin↗
DOE OSTI2023

The UCLA Cosmochemistry Database

Abstract The UCLA Cosmochemistry Database was initiated as part of a data-rescue and -storage project aimed at archiving a variety of cosmochemical data acquired at University of California, Los Angeles (UCLA). The data collection includes elemental compositions of extraterrestrial materials analyzed by UCLA cosmochemists over the last five decades. The analytical techniques include atomic absorption spectrometry (AAS) and neutron activation analysis (NAA) at UCLA. The data collection is stored on the Astromaterials Data System (Astromat). We provide both interactive tables and downloadable datasheets for users to access all data. The UCLA Cosmochemistry Database archives cosmochemical data that are essential tools for increasing our understanding of the nature and origin of extraterrestrial materials. Future studies can reference the data collection in the examination, analysis, and classification of newly acquired extraterrestrial samples.

Science & Technology - Other Topics↗
DOE OSTI2026

Breaking the Energy Barrier of Heavy Metal Ion Diffusion in Micropores with Mesoporous 3D Graphene for Fast and Efficient Cu2+ Removal

Efficient removal of heavy metals from water critically depends not only on adsorption capacity but also on ion diffusion kinetics and the associated energy barriers. In conventional carbon adsorbents, severe diffusion confinement within micropores restricts ion transport, resulting in sluggish adsorption kinetics and large apparent activation energies despite high specific surface areas. Here, we demonstrate that this fundamental limitation is overcome by engineering meso/macroporous architectures in the 3D graphene materials synthesized via our discovered alkali-metal reactions with\\\\r\\\\n2\\\\r\\\\nCO. The unique 3D graphene materials possess defect-rich graphene frameworks with interconnected meso/macroporous networks, exhibiting simultaneously high surface area and greatly enhanced meso/macropore volume that enable efficient access to adsorption sites. As a result, the Cu2+ adsorption on 3D graphene proceeds with very low activation energies (4.98 kJ mol–1), which is almost 4 times smaller than on activated carbon (23.1 kJ mol–1). This finding offers a promising platform for efficient and sustainable water purification.

25 ENERGY STORAGE↗
NASA NTRS1981

Synthetic battery cycling

The use of interactive computer graphics is suggested as an aid in battery system development. Mathematical representations of simplistic but fully representative functions of many electrochemical concepts of current practical interest will permit battery level charge and discharge phenomena to be analyzed in a qualitative manner prior to the assembly and testing of actual hardware. This technique is a useful addition to the variety of tools available to the battery system designer as he bridges the gap between interesting single cell life test data and reliable energy storage subsystems.

Thaller, L. H.↗
DOE OSTI2025

Should I stay or should I flow? An exploration of phase‐separated metallosupramolecular liquid crystal polymers

Abstract Dynamic liquid crystalline polymers (dLCPs) incorporate both liquid crystalline mesogens and dynamic bonds into a single polymeric material. These dual functionalities impart order‐dependent thermo‐responsive mechano‐optical properties and enhanced reprocessability/programmability enabling their use as soft actuators, adaptive adhesives, and damping materials. While many previous works studying dynamic LCPs utilize dynamic covalent bonds, metallosupramolecular bonds provide a modular platform where a series of materials can be accessed from a single polymeric feedstock through the variation of the metal ion used. A series of dLCPs were prepared by the addition of metal salts to a telechelic 2,6‐bisbenzimidazolylpyridine (Bip) ligand endcapped LCP to form metallosupramolecular liquid crystal polymers (MSLCPs). The resulting MSLCPs were found to phase separate into hard and soft phases which aids in their mechanical robustness. Variations of the metal salts used to access these materials allowed for control of the thermomechanical, viscoelastic, and adhesive properties with relaxations that can be tailored independently of the mesogenic transition. This work demonstrates that by accessing phase separation through the incorporation of metallosupramolecular moieties, highly processable yet robust MSLCP materials can be realized. This class of materials opens the door to LCPs with bulk flow behavior that can also be utilized as multi‐level adhesives.

Chemistry↗
NASA NTRS1989

Advanced Space Power PEM Fuel Cell Systems

A model showing mass and heat transfer in proton exchange membrane (PEM) single cells is presented. For space applications, stack operation requiring combined water and thermal management is needed. Advanced hardware designs able to combine these two techniques are available. Test results are shown for membrane materials which can operate with sufficiently fast diffusive water transport to sustain current densities of 300 ma per square centimeter. Higher power density levels are predicted to require active water removal.

PEM↗
DOE OSTI2026

Density Functional Theory Analysis of Candidate Tritium Permeation Barriers for Vanadium Alloys as a Fusion Structural Material

Vanadium alloys are being considered as a candidate structural material for the breeder blanket component of future fusion reactors due to their good thermal conductivity, low activation, and chemical compatibility with FLiBe. However, vanadium has a high hydrogen solubility, resulting in hydrogen diffusion and trapping in the vanadium structural alloy and lower than expected tritium breeding ratios. To mitigate the permeation of hydrogen into the structural alloy, a tritium permeation barrier will be coated onto the vanadium alloy. Multiple materials have been proposed as candidate tritium permeation barriers, but the extent to which each of these materials impacts hydrogen diffusion and trapping is still unknown. In this project, we perform atomic-scale calculations to narrow down the list of potential tritium permeation barrier candidates and to understand the mechanisms through which hydrogen diffusion is affected in these materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

CRADA 2022-03 Final Report: Advanced Bearing Materials for Harsh Service Conditions

Develop advanced bearing materials for hydrogen gas turbines and wind turbines. Two candidate materials have been selected based on Ames lab’s recent work on high entropy alloys and shape memory alloys. These materials are designed to exhibit a balance of hardness, strength, toughness, and corrosion resistance. The hydrogen diffusion coefficient in the NiTi based shape memory alloy is two order of magnitude lower than that of the conventional case hardened bearing steel. We plan to atomize these materials into powders, additive manufacture cylindrical bearings, then test these bearing for rolling-contact fatigue, corrosion properties, and hydrogen embrittlement. We are a vertically integrated team comprises of national labs, bearing manufacturers, raw material powders makers, and aircraft gas turbine manufacturer.

Argibay, Nicolas [Ames Laboratory (AMES), Ames, IA↗
NASA NTRSDate not supplied

Bosch Carbon Catalyst Regeneration in Water II: Analysis of Bosch Catalyst Beads Throughout the Initial Regeneration Process

Catalyst integrity is an important factor in reactor longevity since it changes the effectiveness of a reaction. A Carbon Formation Reactor (CFR), used within Series Bosch (S-Bosch), utilizes an iron alloy catalyst to convert carbon monoxide and hydrogen into water and solid carbon. The catalyst promotes the formation of carbon to such an extent that pressure-causing clogs form within the reactor and reaction sites on the catalyst become limited. To remove carbon from both the reactor and the surface of the iron alloy catalyst, a technique was developed that utilizes water, an In-Situ Resource Utilization (ISRU) Resource, and agitation to regenerate the reactor. To ascertain catalyst integrity throughout this regenerative process, sample catalyst beads were taken before and after the carbon formation reaction, and then after the regeneration process. Additionally, wastewater from the regeneration process was sampled. The sampled beads and wastewater were observed under a Scanning Electron Microscopy (SEM) microscope and the beads were chemically etched to determine if the catalyst had degraded at any point during this process, and if catalyst was lost. Minimal catalyst degradation was observed after carbon formation in the CFR.

regeneration↗
NASA NTRSDate not supplied

Bosch Carbon Catalyst Regeneration in Water II: Analysis of Bosch Catalyst Beads Throughout the Initial Regeneration Process

Catalyst integrity is an important factor in reactor longevity since it changes the effectiveness of a reaction. A Carbon Formation Reactor (CFR), used within Series Bosch (S-Bosch), utilizes an iron alloy catalyst to convert carbon monoxide and hydrogen into water and solid carbon. The catalyst promotes the formation of carbon to such an extent that pressure-causing clogs form within the reactor and reaction sites on the catalyst become limited. To remove carbon from both the reactor and the surface of the iron alloy catalyst, a technique was developed that utilizes water, an In-Situ Resource Utilization (ISRU) Resource, and agitation to regenerate the reactor. To ascertain catalyst integrity throughout this regenerative process, sample catalyst beads were taken before and after the carbon formation reaction, and then after the regeneration process. Additionally, wastewater from the regeneration process was sampled. The sampled beads and wastewater were observed under a Scanning Electron Microscopy (SEM) microscope and the beads were chemically etched to determine if the catalyst had degraded at any point during this process, and if catalyst was lost. Minimal catalyst degradation was observed after carbon formation in the CFR.

Series Bosch↗
NASA NTRS2026

Hermal Evolution of Volatile-Rich Planetesimals: Implications for Lithological Diversity in Ryugu and CI Chondrites

Ryugu samples and CI chondrites record aqueous alteration processes in primitive, volatile-rich planetesimals and exhibit a wide range of lithologies defined by mineral assemblages and alteration degrees as proposed to be types I–VI in [4]. The similarity in lithological diversity and proportions between Ryugu and CIs suggests that they originated from parent bodies with comparable internal structures and thermal histories. However, the mechanism responsible for generating such lithological diversity within a single parent body remains unclear.

S Yamazaki↗