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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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66 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Effective medium approximation for the refractive index of stratified metal oxide composites synthesized by atomic layer deposition

Atomic layer deposition (ALD) is a unique method for synthesizing conformal layers with precise composition. It is especially useful for the synthesis of mixed metal oxides for functional materials. One application of interest is the use of ALD for tailoring the refractive index of coatings. In homogeneously distributed composites of metal oxides, the refractive properties can be approximated as the average of the indices of the components. This is known as an effective medium approximation (EMA) and can be used to design the macroscopic properties of composites. ALD produces layered, anisotropic films, so the validity of an EMA in describing these films is not clear. Here, we use optical simulations and experimental characterization of stratified composites of TiO 2 and Al 2 O 3 to study the application of an EMA to the transmission and reflection behavior of ALD-prepared mixed metal oxide thin films. We found that when the characteristic layer thickness is smaller than roughly 10 nm, the optical spectra of theoretical and experimental ALD films match the equivalent theoretical spectra for a material with a refractive index calculated from a simple, compositionally weighted EMA. Hence, this EMA could describe the transmission and reflectance spectra in ALD-derived TiO2–Al 2 O 3 nanolaminates when the films were sufficiently stratified even without thorough characterization of the real layers in the films. As a result, we demonstrated that ALD can be used to prepare effectively homogenous mixed metal oxide films with a predictable, tailorable refractive index of any value between those of the TiO 2 and Al 2 O 3 component materials.

42 ENGINEERING↗
DOE OSTI2025

Deep Factorization Machine Learning for Disaggregation of Transmission Load Profiles with High Penetration of Behind-The-Meter Solar

The ever-growing integration of distributed energy resources (DERs), especially behind-the-meter (BTM) solar generations, poses imperative operational challenges to system operators such as regional transmission organizations (RTOs). It is important for RTOs to effectively and accurately extract actual load profiles at the transmission level for a single node with significant BTM solar injection. This paper first illustrates the necessity of disaggregating the daily actual load profile of a single node. Furthermore, by segmenting nodes with selected timeseries features, nodes with significant BTM solar generation are identified. Lastly, a bi-level framework is proposed, comprising reference node disaggregation and DeepFM nodal disaggregation, aimed at disaggregating the nodal load profiles from which system operators require more information. By adopting a hybrid Deep Factorization Machine (DeepFM) model, the model achieve accurate results by extracting both linear and nonlinear relations between nodes in the same region and the zonal load and nodal load profile. To overcome the lack of ground truth, this paper segments the load profile into daytime, nighttime, and zero-crossing points and utilizes the latter two for evaluation purposes. The proposed disaggregation procedure is validated using real world, minute-level, normalized, and anonymized nodal data in the PJM service territory.

42 ENGINEERING↗
DOE OSTI2024

Atomistic Probing of Defect-Engineered 2H-MoTe 2 Monolayers

Point defects dictate various physical, chemical, and optoelectronic properties of two-dimensional (2D) materials, and therefore, a rudimentary understanding of the formation and spatial distribution of point defects is a key to advancement in 2D material-based nanotechnology. In this work, we performed the demonstration to directly probe the point defects in 2H-MoTe 2 monolayers that are tactically exposed to (i) 200 °C-vacuum-annealing and (ii) 532 nm-laser-illumination; and accordingly, we utilize a deep learning algorithm to classify and quantify the generated point defects. We discovered that tellurium-related defects are mainly generated in both 2H-MoTe 2 samples; but interestingly, 200 °C-vacuum-annealing and 532 nm-laser-illumination modulate a strong n-type and strong p-type 2H-MoTe 2 , respectively. While 200 °C-vacuum-annealing generates tellurium vacancies or tellurium adatoms, 532 nm-laser-illumination prompts oxygen atoms to be adsorbed/chemisorbed at tellurium vacancies, giving rise to the p-type characteristic. This work significantly advances the current understanding of point defect engineering in 2H-MoTe 2 monolayers and other 2D materials, which is critical for developing nanoscale devices with desired functionality.

2H-MoTe 2↗
DOE OSTI2021

A Multi-physics Computational Investigation of Droplet Pathogen Transport Eminating from Synthetic Coughs and Breathing

In response to the global SARS-CoV-2 transmission pandemic, Sandia National Laboratories Rapid Lab-Directed Research and Development (LDRD) COVID-19 initiative has deployed a multi-physics, droplet-laden, turbulent low-Mach simulation tool to model pathogen-containing water droplets that emanate from synthetic human coughing and breathing. The low-Mach turbulent Eulerian/point-particle Lagrangian methodology directly couples mass, momentum, energy, and species to capture droplet evaporation physics that supports the ability to distinguish between droplets that deposit and those that persist in the environment. Additionally, the cough mechanism is modeled as a pulsed-spray with a prescribed log-normal droplet size distribution. Simulations demonstrate direct droplet deposition lengths in excess of three meters while the persistence of a droplet nuclei entrained within a buoyant plume is noted. Including the effect of protective barriers demonstrates effective mitigation of large-droplet transport. For coughs into a protective barrier, jet impingement and large-scale re-circulation can drive droplets vertically and back towards the subject while supporting persistence of droplet nuclei. Simulations in quiescent conditions demonstrate droplet preferential concentrations due to the coupling between vortex ring shedding and the subsequent advection of a series of three-dimensional rings that tilt and rise vertically due to a misalignment between the initial principle vortex trajectory and gravity. These resolved coughing simulations note vortex ring formation, roll-up and breakdown, while entraining droplet nuclei for large distances and time scales.

42 ENGINEERING↗
DOE OSTI2026

Substitution or Shared Utilization? Intrahousehold Vehicle Use in Mixed-Powertrain Households

While previous research has focused heavily on understanding the factors deriving alternative fuel vehicle adoption rates, there remains a significant gap in understanding how households distribute mileage across different powertrains. This study utilizes data from the 2022 Next Generation National Household Travel Survey to investigate vehicle miles traveled within a sample of 150 plug-in electric vehicle (PEV)-owning households (in which at least one battery electric vehicle is present), characterizing how different powertrains are integrated into daily mobility. Leveraging a Seemingly Unrelated Regression (SUR) framework the study jointly models the utilization of PEVs, hybrid electric vehicles (HEV), and internal combustion engine vehicles (ICEVs) while accounting for household-level substitution effects. The results provide evidence of an asymmetric substitution effect. In households with mixed-powertrain configurations, the ICEV captures a substantially higher share of household miles (compared with the PEV), acting as a utility sponge. Conversely, the model identifies specific socioeconomic and geographic cohorts that prioritize PEV as the primary household workhorse, indicating a systematic sorting effect. Although the sample size limits broader generalizability, these findings suggest that PEVs are used for frequent, specific routine-intensive roles, whereas the ICEV remains a specialized utility vehicle. These insights highlight distinct intrahousehold vehicle use behaviors that are often obscured by aggregate fleetwide statistics.

25 ENERGY STORAGE↗
DOE OSTI2025

Thermal conductivity measurement of U-Mo and U-Mo/Al interaction layers generated from in-pile irradiation using the suspended-bridge method

Here, this study presents the first measurement of the individual thermal conductivity of U-7wt.%Mo fuel particles and U-Mo/Al interaction layers (ILs) from in-pile irradiated dispersion fuel plates, using the suspended-bridge method. Nanorods of U-7wt.%Mo fuel and U-Mo/Al ILs were extracted by focused ion beam (FIB), and their microstructures were characterized with transmission electron microscopy (TEM). TEM revealed finely distributed nanobubbles in the U-7wt.%Mo matrix, along with an amorphous structure in the ILs. The thermal conductivity of in-pile irradiated U-7wt.%Mo was approximately 30% lower than that of the unirradiated material, ranging from 6.7 W/m·K at 300 K to 8.5 W/m·K at 380 K. The ILs exhibited even lower thermal conductivity, from 2.1 W/m·K at 300 K to 2.7 W/m·K at 380 K. These reductions, attributed to nanobubbles, fission products, and irradiation-induced point defects, were analyzed through a combination of microstructural characterization and literature-based transport models, which successfully reproduced the observed degradation trends.

42 - ENGINEERING↗
DOE OSTI2024

Utilization of Novel (KNbO 3 ) 1− x (Ba 2 FeNbO 6 ) x ( x = 0.1, 0.2, 0.3) Solid Solutions for Efficient Photo‐Assisted Fenton Degradation of Methylene Blue Dye

Novel (KNbO 3 ) 1− x (Ba 2 FeNbO 6 ) x ( x = 0.1, 0.2, 0.3) solid solutions corresponding to K 0.82 Ba 0.18 Fe 0.09 Nb 0.91 O 3 , K 0.64 Ba 0.36 Fe 0.18 Nb 0.82 O 3 , and K 0.46 Ba 0.54 Fe 0.27 Nb 0.73 O 3 compounds have been synthesized via molten salt method. X‐ray diffraction confirms the formation of solid solutions, while transmission electron microscopy combined with energy‐dispersive spectroscopy results demonstrates a homogeneous distribution of elements. The obtained solid solutions crystallized in a cubic crystal structure, whereas the parent KNbO 3 possesses an orthorhombic structure. The wide bandgap semiconductor KNbO 3 transformed into a visible‐light‐active material, with its bandgap energy reduced from 3.56 eV to ≈2.4 eV. The substitution of K in KNbO 3 with Ba is responsible for structural modification from orthorhombic to cubic symmetry, whereas both structural modification and the substitution of Nb with Fe correlated with optical properties. The photocatalytic activities of all obtained solid solutions are improved compared with the parent KNbO 3 and Ba 2 FeNbO 6 compounds for photocatalytic degradation of methylene blue (MB) dye. Among the series of solid solutions, K 0.82 Ba 0.18 Fe 0.09 Nb 0.91 O 3 photocatalysts show the highest MB removal efficiency owing to its relatively higher surface area, suppressed charge carrier recombination, and more negative conduction band edge. Moreover, K 0.82 Ba 0.18 Fe 0.09 Nb 0.91 O 3 photocatalyst (0.1 g) combined with hydrogen peroxide (H 2 O 2 ) to form a novel photo‐Fenton system, achieving almost complete degradation of 100 mL of 10 mg L −1 MB dye in 30 min.

Avcıoğlu, Celal [Technische Universität Berlin, Fa↗
DOE OSTI2025

Tailoring P2/P3‐Intergrowth in Manganese‐Based Layered Transition Metal Oxide Positive Electrodes via Sodium Content for Na‐Ion Batteries

High-manganese content sodium-ion positive electrodes have received heightened interest as an alternative to contemporary Li-ion chemistries due to their high abundance, low toxicity, and even geographical distribution. However, these materials typically suffer from poor capacity, unstable cycling performance, and sluggish Na + kinetics. Herein, we explore a manganese-based layered transition metal oxide (Na x N 0.25 Mn 0.75 O 2 ) and show by X-ray diffraction (XRD) and high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) that careful variation of the sodium content can instigate the formation of a biphasic intergrowth. This intergrown P2/P3 material offered a higher capacity than its monophasic P2 counterpart due to the P3 structure having greater low-voltage Mn 3+/4+ redox. Further, the intergrowth material offers greatly enhanced kinetics and cycling stability when compared to single-phase P3 material, due to the stabilizing nature of the P2 structure, elucidated by galvanostatic intermittent titration technique (GITT) and operando synchrotron X-ray diffraction. These results highlight the beneficial effect that the intergrowth structure has on the electrochemical performance of high-manganese content positive electrode for future sodium-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2022

Laser diagnostics to characterize the in-flame growth of platinum nanoparticles manufactured by the reactive spray deposition technology

Reactive Spray Deposition Technology (RSDT) is an atmospheric pressure, flame-based advanced manufacturing method used to fabricate Membrane Electrode Assemblies (MEAs) for proton exchange fuel cells and water electrolyzers. RSDT combines the flame synthesis of catalyst nanoparticles and their deposition onto the membrane in one step. The properties of the synthesized nanoparticles, such as their Size Distribution Function (SDF), determine the manufactured electrodes’ performance, which can be evaluated when the deposition is complete via ex-situ characterization of the products. Efforts to improve RSDT for manufacturing state-of-the-art MEAs can be significantly enhanced with integrated laser diagnostics that enable in situ measurement of the synthesized catalyst nanoparticles. This paper reports the implementation of laser diagnostics in an RSDT facility and evaluates their potential to assist the manufacturing process. Laser Light Scattering (LS) and Laser-Induced Incandescence (LII) measurements are performed in the oxygen-rich zone of the flame at various distances from the flame fuel jet nozzle downstream of its luminous region. The measurements quantitatively track the evolution in size and volume fraction of platinum-based nanoparticles in two flames that yield different catalytic properties in the manufactured electrodes. The profiles of the measured nanoparticles’ volume fraction along the flame axis can be estimated a priori so that the average nanoparticle sizes can be measured in quasi-real time via LS. Nanoparticles experience an extremely slow growth rate while being convected at distances from 150 nm to 300 nm from the fuel nozzle. Complementary characterizations of the synthesized nanoparticles are performed ex-situ via High-Angle Annular Darkfield Scanning Transmission Electron Microscopy (HAADF-STEM) image analyses of samples collected on grids at a fixed distance from the fuel jet nozzle. Comparing the results from laser and microscopy techniques not only cross-validates the findings but also provides the parameters to infer the bimodal SDF in-situ and yields evidence that the coagulation efficiency of the synthesized nanoparticles has extremely low values in the investigated zone of the flames.

Rayleigh Light Scattering (LS)↗
DOE OSTI2025

Solute Redistribution During Aging in a Laser-Based Powder Bed Fusion-Produced Fe-18Ni-9Co-5Mo-Ti Maraging Steel

Solute distribution during the laser-based powder bed fusion of metals process is highly complex because of solidification. This study builds on a previous investigation of how solute heterogeneities across different scales influence phase distribution and aging physical phenomena in a Fe-18Ni-9Co-5Mo-Ti maraging steel (Santana et al. in Addit Manuf 104494, 2024). Previous work using energy-dispersive X-ray spectroscopy revealed heterogeneous Ni and Mo enrichment at intercellular regions. Using X-ray diffraction, 8 ± 3% retained austenite was quantified in as-built samples. Additionally, electron backscatter diffraction analysis exposed the location of retained austenite along cell boundaries. In this work, scanning transmission electron microscopy results revealed the presence of non-enriched retained austenite in the as-built condition. With increased aging temperature, Ni and Mo enrichment in austenite increased, especially at the austenite/martensite boundary. Solute diffusion was simulated in DICTRA Thermo-Calc® software to assess solute redistribution between the matrix and second phases and to comprehend whether elemental diffusion processes are interconnected. Three different scenarios were considered: (1) solute diffusion in the matrix; (2) diffusion with enriched austenite in the intercellular region; (3) diffusion with non-enriched austenite in the intercellular region. Results showed that Ni partitioning controls austenite growth and that boundary regions exhibit higher element enrichment than the core.

42 ENGINEERING↗
DOE OSTI2026

Development Fiber Optic Distributed System for Direct Detection of Subsurface Gases Leakages

Carbon, natural gas, and hydrogen gas storage is an emerging solution to safeguard us against pollution, support goals of negative carbon emission, and protect sources of renewable energy. Properly constructed storage wells provide a virtually impervious barrier to any unintended subsurface transmission. The ability to ensure the long-term integrity of such wells is vital to the success of any storage operation and be successful in the public eyes. Therefore, robust monitoring of any gas migration into the subsurface is highly sought. A fiber-optic distributed chemical sensor (DCS) enables monitoring of long-term well integrity along its depth, ensuring the success of any storage operation and bolsters public acceptance of the safety of the reservoir via leak early detection. The same technique can be applied to gas monitoring in pipeline networks and nuclear stockpile monitoring applications. Fiber based Raman spectroscopy enables DCS, as optical fibers can be deployed in virtually any environment and relay spectroscopic information over long distances back to the user. Hollow core fibers (HCF) make excellent DCSs as the air core of the fiber allows gas from the environment to diffuse into the core, which interacts with the laser signal that is carried in the air core. This work builds upon the previous LDRD project, Fiber Optic System for Direct Detection of Carbon Dioxide Leakage in Carbon Storage Wells (21-FS-003), in which the feasibility of Raman spectroscopy detection of Carbon Dioxide (CO2) in HCF detection was demonstrated. We mitigated the risk of this DCS technology by establishing and completing five objectives. The first objective was to model and optically characterize HCF uptake of CO2, establishing the relationship between HCF length, gas diffusion time, detectable gas concentration, and measured Raman intensity. In objective two, we developed a fiber core drilling recipe to enable additional diffusion ports in the fiber core and established a method for maintaining fiber strength and integrity post drilling. Objective three characterized the drilled fibers against the undrilled fibers, establishing the differences in the gas mechanics and optical properties and provided parameters to iterate the drilling process. In objective four, a fusion splicing technique was developed to join the HCF to conventional single-mode fibers, localizing the gas detection point at the drilled HCF hole, emulating a DCS. Lastly, objective five was the testing of the sensor in Edgar Mines at Colorado School of Mines on a CO2 pipeline with a simulated leak, to showcase the ability to detect CO2 leaks. This capstone result showed CO2 leak detection in < 10 minutes, raising the technology readiness level of HCF segments as deployable DCS.

organic↗
DOE OSTI2023

Hybrid Solar System (Final Scientific/Technical Report)

GTI Energy (GTI) teamed with the University of California at Merced (UCM) to scaleup the hybrid solar system (HSS) technology for demonstrating its performance at the US Gypsum (USG) plant in Plaster City, California. The technology integrates two-stage concentrating solar collector with matching particle thermal transport and storage (TSS) system to deliver cost-effective, and on-demand distributed high temperature industrial process heat up to 600°C with solar thermal, in this case to a gypsum kettle, to reduce its fuel use and carbon footprint. Current solar technologies, which reach these temperatures, are not distributable (towers) or cost-effective (dish). The research team developed a conceptual system design for host site retrofit, including preliminary heat balance, process flow diagram, particle to process heat exchanger and equipment placements at the site. Subsequently, parallel efforts were carried out at UCM to design, build and test a 12 m long commercial scale prototype concentrating thermal-only collector system and at GTI to design, build and test a matching 650°C capable particle TTS system. The nominal 50 kWth collector consists of a parabolic trough and three 4 m long two-stage receivers in series. Prior to on-sun testing, a 4 m long receiver was fabricated and successfully tested at 650 °C in a laboratory setting for 100 hrs of continuous operation showing less than 15% radiation loss. A 7 m wide x 17 m long parabolic trough was then installed at UCM for on-sun testing of the 12 m long receiver, and concurrently several 4 m long receivers were built. The optics of the parabolic trough were calibrated, and on-sun test were carried out on 12 m long receivers. During tests, the intense solar radiation (53x) caused the absorber tubes in the receivers to bend, reducing the overall optical efficiency. To address the bending issue, a self-consistent algorithm that includes ray tracing, thermal and deformation models was developed to perform thermal stress analysis on absorbers for parabolic solar collectors. Results obtained with this algorithm showed a dramatic rise in deformation as absorber tube length increases. A combined efficiency parameter that includes the occluded area for the mounts was developed to obtain an optimized tube length obtained. Based on the results, a length of 2.7 m for the absorber + 0.2 m for the coupler was chosen to minimize any bending and optimize optical efficiency while maintaining ease of mounting. The associated particle TTS system was designed, built and successfully tested at GTI. It includes storage, receiving and lock hoppers and piping that simulates the transfer of captured solar energy to an actual industrial furnace. Tests over 77 charge-discharge cycles demonstrated <2% particle degradation, with no problematic particle accumulations and no flow interruptions. The piping pressure drop was about 5 psi. The team also worked with Stanley Consultants (Stanley) to prepare conceptual and preliminary engineering packages to facilitate follow-on development and commercialization efforts. These include process and instrumentation diagram’s (P&ID’s), general arrangements, electrical one-line, project definitions document, equipment data sheets, schedule, and construction cost estimate for 2 MWth system. Updated HSS technology commercialization and customer engagement plans and detailed costs and evaluated market trade-offs and manufacturing.

03 NATURAL GAS↗