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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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At least 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Mechanical Behavior of a Hi-Nicalon(tm)/SiC Composite Having a Polycarbosilane Derived Matrix

Polymer infiltration of a rigidized preform, followed by pyrolysis to convert the polymer to a ceramic, potentially offers a lower cost alternative to CVD. It also offers more moderate temperature requirements than melt infiltration approaches, which should minimize potential fiber damage during processing. However, polymer infiltration and pyrolysis results in a more microcracked matrix. Preliminary mechanical property characterization, including elevated temperature (1204 C) tensile, 500 h stress rupture behavior and low cycle fatigue, was conducted on Hi-Nicalon (TM)/Si-C-(O) composites having a dual layer BN/SiC interface and a matrix derived by impregnation and pyrolysis of allylhydridopolycarbosilane (AHPCS). Microstructural evaluation of failure surfaces and of polished transverse and longitudinal cross sections of the failed specimens was used to identify predominant failure mechanisms. In stress rupture testing at 1093 C, the failure was interface dominated, while at 1204 C in both stress rupture and two hour hold/fatigue tests failure was matrix dominated, resulting in specimen delamination.

Hurwitz, Frances I.↗
DOE OSTI2021

Uncertainty bounds for multivariate machine learning predictions on high-strain brittle fracture

Simulation of the crack network evolution on high strain rate impact experiments performed in brittle materials is very compute-intensive. The cost increases even more if multiple simulations are needed to account for the randomness in crack length, location, and orientation, which is inherently found in real-world materials. Constructing a machine learning emulator can make the process faster by orders of magnitude. There has been little work, however, on assessing the error associated with their predictions. Estimating these errors is imperative for meaningful overall uncertainty quantification. In this work, we extend the heteroscedastic uncertainty estimates to bound a multiple output machine learning emulator. Overall, we find that the response prediction is accurate within its predicted errors, but with a somewhat conservative estimate of uncertainty.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Elucidating Structural Transition Dynamics in the Magnesium Cathode MgCr 2 O 4

Multivalent batteries, e.g., those based on magnesium (Mg), are promising candidates for next-generation energy storage due to their high volumetric energy densities and low cost. However, the corresponding ion migration and structural transition mechanisms are often linked and difficult to observe directly. Here, in this paper, we report the direct investigation of atomic transport pathways of cations in spinel magnesium chromate (MgCr 2 O 4 ) by using aberration-corrected scanning transmission electron microscopy (STEM). Cr atoms are directly observed to reversibly occupy the otherwise vacant octahedrally coordinated interstitial sites, passing through tetrahedral sites normally occupied by Mg. Furthermore, imaging and electron energy loss spectroscopy show that electron irradiation induces the formation of Mg and O vacancies, facilitating the migration of Cr and leading to an irreversible phase transition. These results demonstrate the ability of STEM to capture the pathway of deleterious point defects that can result in undesirable phase transitions.

25 ENERGY STORAGE↗
NASA NTRS1998

Large-Scale Processing of Carbon Nanotubes

Scale-up difficulties and high energy costs are two of the more important factors that limit the availability of various types of nanotube carbon. While several approaches are known for producing nanotube carbon, the high-powered reactors typically produce nanotubes at rates measured in only grams per hour and operate at temperatures in excess of 1000 C. These scale-up and energy challenges must be overcome before nanotube carbon can become practical for high-consumption structural and mechanical applications. This presentation examines the issues associated with using various nanotube production methods at larger scales, and discusses research being performed at NASA Ames Research Center on carbon nanotube reactor technology.

Finn, John↗
NASA NTRS1998

Large-Scale Processing of Carbon Nanotubes

Scale-up difficulties and high energy costs are two of the more important factors that limit the availability of various types of nanotube carbon. While several approaches are known for producing nanotube carbon, the high-powered reactors typically produce nanotubes at rates measured in only grams per hour and operate at temperatures in excess of 1000 C. These scale-up and energy challenges must be overcome before nanotube carbon can become practical for high-consumption structural and mechanical applications. This presentation examines the issues associated with using various nanotube production methods at larger scales, and discusses research being performed at NASA Ames Research Center on carbon nanotube reactor technology.

Finn, John↗
DOE OSTI2021

Al Substitution for Mn during Co-Precipitation Boosts the Electrochemical Performance of LiNi 0.8 Mn 0.1 Co 0.1 O 2

We report nickel-rich layered oxides, such as LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC 811), are considered as one of the most promising candidates for the next-generation cathode because of their high energy densities and relatively low cost. However, the poor first Coulombic efficiency of NMC 811 leads to around a 15% capacity loss in the first cycle at a cut-off voltage of 4.4 V. Moreover, the structure degradation during cycling results in capacity fading and safety concerns, due to potential oxygen loss after charging. Here, with aluminum substitution for manganese through a developed continuous co-precipitation approach, the electrochemical performance of NMC 811 cathodes has been greatly enhanced. Among different Al% substituted samples, LiNi 0.8 Mn 0.06 Co 0.1 Al 0.04 O 2 cathodes reduced by 50% the first capacity loss of pristine NMC 811(18.0 vs 35.9 mAh g -1 ) and improved the capacity retention from 81.4 to 96.4% after 60 cycles at 0.5C in the voltage range of 2.8–4.4 V.

25 ENERGY STORAGE↗
NASA NTRS1984

Development and testing of Parabolic Dish Concentrator No. 1

Parabolic Dish Concentrator No. 1 (PDC-1) is a 12-m-diameter prototype concentrator with low life-cycle costs for use with thermal-to-electric energy conversion devices. The concentrator assembly features panels made of a resin transfer molded balsa core/fiberglass sandwich with plastic reflective film as the reflective surface and a ribbed framework to hold the panels in place. The concentrator assembly tracks in azimuth and elevation on a base frame riding on a circular track. It is shown that the panels do not exhibit the proper parabolic contour. However, thermal gradients were discovered in the panels with daily temperature changes. The PDC-1 has sufficient optical quality to operate satisfactorily in a dish-electric system. The PDC-1 development provides the impetus for creating innovative optical testing methods and valuable information for use in designing and fabricating concentrators of future dish-electric systems.

Dennison, E. W.↗
DOE OSTI2025

Deploying advanced supervisory control strategies to small- and medium-sized commercial buildings: Case study and lessons learned

Deploying advanced supervisory control strategies (ASCSs) in small- and medium-sized commercial buildings (SMBs) is vital but faces two issues: (1) a lack of building control and communication infrastructure (BCCI) in SMBs and (2) the significant engineering efforts required to implement and configurate ASCSs. Despite hindering the large-scale adoption of ASCSs in SMBs, these issues have not been adequately explored in the literature, which tends to focus more on feasibility than scalability. This paper provides a comprehensive evaluation of these two issues through a case study of an occupied SMB in eastern Tennessee of the United States. Specifically, we design and implement a BCCI for the studied building with commercial off-the-shelf products to accommodate the needs for deploying ASCSs. Here, we then deploy two ASCSs—a rule-based setback control and a model predictive control (MPC)—with the BCCI and evaluate their performance throughout the summer of 2024. This study reveals that the main bottlenecks in establishing BCCIs for SMBs are the high initial cost (∼$56/m 2 ) and communication delays (up to 9 min). Additionally, the assessment of the two ASCSs indicates that the majority (∼75 %) of the engineering effort required for implementation and configuration is spent on model identification, debugging, and tuning.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

Low-cost calculation and analysis of 2D IR spectra of model diiron trinitrosyl complexes in the NO stretch region with vibrational perturbation theory

Two-dimensional infrared spectroscopy offers unique capabilities for probing vibrational coupling in complex metal–ligand systems. In this paper, we combine two-dimensional infrared spectroscopy with vibrational perturbation theory to investigate vibrational coupling in a diiron trinitrosyl complex across three stable redox states. Although these systems are challenging for electronic structure methods, we demonstrate that key features of experimental 2D IR spectra can be accurately reproduced using reduced-dimensional anharmonic calculations with a small harmonic frequency scaling. Analysis reveals that N–O stretching modes maintain high locality across all redox states, with coupling patterns that directly reflect variations in Fe–N bond strength. Using curvilinear coordinate analysis, we demonstrate these differences result from systematic changes in cubic anharmonic force constants rather than mode delocalization. Our results establish N–O stretches as sensitive probes of metal–ligand bonding strength, expanding the toolkit for studying biologically relevant nitrosyl complexes.

Moran, Hayden A. [Texas A&M University, College St↗
DOE OSTI2025

Surface deposition of nanometer scale carbon structures on Bi 2 Sr 2 CaCu 2 O 8+δ using a low-cost scanning electron microscope

In this work, we investigate optically active nanostructures on Bi 2 Sr 2 CaCu 2 O 8+δ (BSCCO). The nanostructures are constructed from carbon nanocrystals formed using the electron beam of a scanning electron microscope to locally decompose residual hydrocarbons at the BSCCO surface. Atomic force microscopy is used to characterize the dimensions of these structures as a function of beam exposure time. This technique has been used to induce localized intercalation to form carbon nanoparticles up to tens of nanometers into a variety of 2D materials. Cross-sectional scanning transmission electron microscopy in BSCCO shows the presence of these carbon deposits on the surface, but there is no evidence they penetrate into the BSCCO substrate. Therefore, this technique is not suitable for localized intercalation in BSCCO, and it does have promise as a cost-effective approach to pattern nanometer scale etch stops.

2D materials↗
DOE OSTI2021

Reliability and Power Degradation Rates of PERC Modules Using Differentiated Packaging Strategies and Characterization Tools

The reliability, durability and lifetime performance of passivated emitter, rear cell (PERC) modules used in real-world PV power plants is a critical challenge underlying the rapid adoption and bankability of these PERC cells, whose high efficiency help reduce the levelized cost of electricity (LCOE). We propose a degradation-science study of PERC module degradation pathways, benchmarking them relative to known degradation mechanisms and pathways of the incumbent aluminum back surface field (Al-BSF) modules exposed to real-world and accelerated exposure conditions.

14 SOLAR ENERGY↗
DOE OSTI2023

Continuous culture of anaerobic fungi enables growth and metabolic flux tuning without use of genetic tools

Anaerobic gut fungi (AGF) have potential to valorize lignocellulosic biomass owing to their diverse repertoire of carbohydrate-active enzymes (CAZymes). However, AGF metabolism is poorly understood, and no stable genetic tools are available to manipulate growth and metabolic flux to enhance production of specific targets, e.g., cells, CAZymes, or metabolites. Herein, a cost-effective, Arduino-based, continuous-flow anaerobic bioreactor with online optical density control is presented to probe metabolism and predictably tune fluxes in Caecomyces churrovis. Varying the C. churrovis turbidostat setpoint titer reliably controlled growth rate (from 0.04 to 0.20 h −1 ), metabolic flux, and production rates of acetate, formate, lactate, and ethanol. Bioreactor setpoints to maximize production of each product were identified, and all continuous production rates significantly exceed batch rates. Formate spike-ins increased lactate flux and decreased acetate, ethanol, and formate fluxes. The bioreactor and turbidostat culture schemes demonstrated here offer tools to tailor AGF fermentations to application-specific hydrolysate product profiles.

Agriculture↗
DOE OSTI2021

Exposure, health effects, sensing, and remediation of the emerging PFAS contaminants – Scientific challenges and potential research directions

Per- and polyfluoroalkyl substances (PFAS) make up a large group of persistent anthropogenic chemicals which are difficult to degrade and/or destroy. PFAS are an emerging class of contaminants, but little is known about the long-term health effects related to exposure. In addition, technologies to identify levels of contamination in the environment and to remediate contaminated sites are currently inadequate. In this opinion-type discussion paper, a team of researchers from the University of Connecticut and the University at Albany discuss the scientific challenges in their specific but intertwined PFAS research areas, including rapid and low-cost detection, energy-saving remediation, the role of T helper cells in immunotoxicity, and the biochemical and molecular effects of PFAS among community residents with measurable PFAS concentrations. Potential research directions that may be employed to address those challenges and improve the understanding of sensing, remediation, exposure to, and health effects of PFAS are then presented. Here, we hope our account of emerging problems related to PFAS contamination will encourage a broad range of scientific experts to bring these research initiatives addressing PFAS into play on a national scale.

Challenges and research directions↗
DOE OSTI2021

Effect of operating parameters on H 2 /CO 2 conversion to methanol over Cu-Zn oxide supported on ZrO 2 polymorph catalysts: Characterization and kinetics

Kinetic aspects of the operating parameters for the catalytic conversion of H 2 /CO 2 to methanol over two novel catalysts were evaluated to understand the effect of the polymorphic ZrO 2 phase composed of Cu 0/+ -ZnO sites at the atomic level and its impact on the reaction mechanism. The catalysts were characterized by in situ and ex-situ XRD, N 2 adsorption/desorption isotherms, FRX, TPR, TPD-N 2 O, in situ XANES, TPD-CO 2 , and in situ DRIFTS techniques. The influence of different reaction variables such as the GHSV, temperature, pressure, and H 2 /CO 2 ratio were studied using a fixed bed continuous plug flow reactor. The Cu-ZnO catalyst supported on the tetragonal zirconia polymorph exhibited the highest methanol yield due to the lower activation energy when compared to the catalyst with a greater amount of the monoclinic phase. In addition, the catalysts were reused for 8 cycles of 6 hours to evaluate their stability, which can translate into lower costs for large-scale methanol production. As a result, the estimation of the kinetic parameters over Cu-Zn oxide supported on ZrO 2 polymorphs was significant for understanding the reaction mechanism, as well as to provide a pathway for scaling-up of the process.

36 MATERIALS SCIENCE↗
DOE OSTI2021

422 Million intrinsic quality factor planar integrated all-waveguide resonator with sub-MHz linewidth

High quality-factor (Q) optical resonators are a key component for ultra-narrow linewidth lasers, frequency stabilization, precision spectroscopy and quantum applications. Integration in a photonic waveguide platform is key to reducing cost, size, power and sensitivity to environmental disturbances. However, to date, the Q of all-waveguide resonators has been relegated to below 260 Million. Here, we report a Si 3 N 4 resonator with 422 Million intrinsic and 3.4 Billion absorption-limited Qs. The resonator has 453 kHz intrinsic, 906 kHz loaded, and 57 kHz absorption-limited linewidths and the corresponding 0.060 dB m -1 loss is the lowest reported to date for waveguides with deposited oxide upper cladding. These results are achieved through a careful reduction of scattering and absorption losses that we simulate, quantify and correlate to measurements. This advancement in waveguide resonator technology paves the way to all-waveguide Billion Q cavities for applications including nonlinear optics, atomic clocks, quantum photonics and high-capacity fiber communications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Selective Crystallization for Green Separations of Lanthanides Using 5-(Pyrimidyl)Tetrazolate

In an effort to develop facile, low-cost, and environmentally benign separations of lanthanides, the coordination chemistry and selective crystallization of Ln 3+ cations with the water-soluble ligand 5-(pyrimidyl)tetrazolate (pmtz) have been investigated. The wide range of coordination modes of pmtz allows for discrimination between these cations, and five distinct compound types can be prepared that are dependent on the lanthanide employed. La 3+ leads to the formation of [La(pmtz) 2 (H 2 O) 6 ]Cl (S1). [Ln(pmtz) 3 (H 2 O) 3 ]·(3+n)H 2 O is obtained with Ce 3+ and Pr 3+ (S2). Ce 3+ can also form [(Ce(pmtz) 2 (H 2 O) 3 ) 2 (μ-pmtz)](pmtz)·11H 2 O (S3). [(Ln(pmtz) 2 (H 2 O) 3 ) 2 (μ-pmtz)] 2 (pmtz) 2 ·14H 2 O (S4) is formed with Nd 3+ and Sm 3+ . Here, the smaller Ln 3+ cations, Dy 3+ to Lu 3+ , all yield [Ln(H 2 O) 8 ](pmtz) 3 ·3H 2 O (S5). This selective crystallization of Ln 3+ cations based primarily on ionic radii provides a simple method for achieving group separations.

Bai, Zhuanling↗
DOE OSTI2022

A survey of unsupervised learning methods for high-dimensional uncertainty quantification in black-box-type problems

Constructing surrogate models for uncertainty quantification (UQ) on complex partial differential equations (PDEs) having inherently high-dimensional O(10 n ), n ≥ 2, stochastic inputs (e.g., forcing terms, boundary conditions, initial conditions) poses tremendous challenges. The “curse of dimensionality” can be addressed with suitable unsupervised learning techniques used as a pre-processing tool to encode inputs onto lower-dimensional subspaces while retaining its structural information and meaningful properties. In this work, we review and investigate thirteen dimension reduction methods including linear and nonlinear, spectral, blind source separation, convex and non-convex methods and utilize the resulting embeddings to construct a mapping to quantities of interest via polynomial chaos expansions (PCE). Here, we refer to the general proposed approach as manifold PCE (m-PCE), where manifold corresponds to the latent space resulting from any of the studied dimension reduction methods. To investigate the capabilities and limitations of these methods we conduct numerical tests for three physics-based systems (treated as black-boxes) having high-dimensional stochastic inputs of varying complexity modeled as both Gaussian and non-Gaussian random fields to investigate the effect of the intrinsic dimensionality of input data. We demonstrate both the advantages and limitations of the unsupervised learning methods and we conclude that a suitable m-PCE model provides a cost-effective approach compared to alternative algorithms proposed in the literature, including recently proposed expensive deep neural network-based surrogates and can be readily applied for high-dimensional UQ in stochastic PDEs.

42 ENGINEERING↗