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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 703 records · Page 39

A new Cu-8 Cr-4 Nb alloy for high temperature applications

Various applications exist where a high conductivity alloy with good strength and creep resistance are required. NASA LeRC has developed a Cu-8 at. percent Cr-4 at. percent Nb (Cu-8 Cr-4 Nb) alloy for these applications. The alloy is designed for use up to 700 C and shows exceptional strength, low cycle fatigue (LCF) resistance, and creep resistance. Cu-8 Cr-4 Nb also has a thermal conductivity of at least 72 percent that of pure Cu. Furthermore, the microstructure and mechanical properties of the alloy are very stable. In addition to the original application in combustion chambers, Cu-8 Cr-4 Nb shows promise for welding electrodes, brazing fixtures, and other applications requiring high conductivity and strength at elevated temperatures.

Ellis, D. L.↗

Aerosol Effects on Radiation and Climate: Column Closure Experiments with Towers, Aircraft, and Satellites

Many theoretical studies have shown that anthropogenic aerosol particles can change the radiation balance in an atmospheric column and might thereby exert a significant effect on the Earth's climate. In particular, recent calculations have shown that sulfate particles from anthropogenic combustion may already exert a cooling influence on the Earth that partially offsets the warming caused by the greenhouse gases from the same combustion. Despite the potential climatic importance of anthropogenic aerosols, simultaneous measurements of anthropogenic aerosol properties and their effect on atmospheric radiation have been very rare. Successful comparisons of measured radiation fields with those calculated from aerosol measurements - now referred to as column closure comparisons - are required to improve the accuracy and credibility of climate predictions. This paper reviews the column closure experiment performed at the Mt. Sutro Tower in San Francisco in 1975, in which elevated radiometers measured the change in Earth-plus-atmosphere albedo caused by an aerosol layer, while a lidar, sunphotometer, nephelometer, and other radiometers measured properties of the responsible aerosol. The time-dependent albedo calculated from the measured aerosol properties agreed with that measured by the tower radiometers. Also presented are designs for future column closure studies using radiometers and aerosol instruments on the ground, aircraft, and satellites. These designs draw upon algorithms and experience developed in the Sutro Tower study, as well as more recent experience with current measurement and analysis capabilities.

Russell, Philip B.↗

Opportunities for High-Value Bioblendstocks to Enable Advanced Light- and Heavy-Duty Engines: Insights from the Co-Optima Project

Co-Optima research and analysis have identified fuel properties that enable advanced light-duty and heavy-duty engines. There are a large number of blendstocks readily derived from biomass that possess beneficial properties. Key research needs have been identified for performance, technology, economic, and environmental metrics.

33 ADVANCED PROPULSION SYSTEMS↗

Formation and Acid–Base Surface Properties of Highly Dispersed η-Al{sub 2}O{sub 3} Nanopowders

Highly dispersed η-Al{sub 2}O{sub 3}-based nanopowders have been prepared via glycine–nitrate combustion followed by heat treatment in air. The resultant materials have been characterized by X-ray diffraction, Fourier transform IR spectroscopy, scanning electron microscopy, simultaneous thermal analysis, and other techniques. We have optimized the glycine-to-nitrate ratio (G/N = 0.2) and found heat treatment conditions for combustion products (isothermal holding at a temperature of 700°C for 6 h) that allow one to obtain single- phase nanocrystalline η-Al{sub 2}O{sub 3} powders with an average particle size of 5 ± 1 nm and specific surface area of 54 ± 5 m{sup 2}/g. The acid–base surface properties of the η-Al{sub 2}O{sub 3} nanopowder have been analyzed using pyridine sorption–desorption processes as an example. The specific concentrations of weak, intermediate, and strong Lewis acid centers on the surface of the η-Al{sub 2}O{sub 3} nanocrystals have been shown to markedly exceed those on the surface of commercially available γ-Al{sub 2}O{sub 3} (A-64). The synthesized nanopowders can thus be used as effective supports of acid catalysts.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Radiation Effects on Flow Characteristics in Combustion Chambers

A JANNAF sponsored workshop was held to discuss the importance and role of radiative heat transfer in rocket combustion chambers. The potential impact of radiative transfer on hardware design, reliability, and performance was discussed. The current state of radiative transfer prediction capability in CFD modeling was reviewed and concluded to be substantially lacking in both the physical models used and the radiative property data available. There is a clear need to begin to establish a data base for making radiation calculations in rocket combustion chambers. A natural starting point for this effort would be the NASA thermochemical equilibrium code (CEC).

Brewster, M. Q.↗

Artificial Neural Network Models for Octane Number and Octane Sensitivity: A Quantitative Structure Property Relationship Approach to Fuel Design

Octane sensitivity (OS), defined as the research octane number (RON) minus the motor octane number (MON) of a fuel, has gained interest among researchers due to its effect on knocking conditions in internal combustion engines. Compounds with a high OS enable higher efficiencies, especially within advanced compression ignition engines. RON/MON must be experimentally tested to determine OS, requiring time, funding, and specialized equipment. Thus, predictive models trained with existing experimental data and molecular descriptors (via quantitative structure-property relationships (QSPRs)) would allow for the preemptive screening of compounds prior to performing these experiments. Here, the present work proposes two methods for predicting the OS of a given compound: using artificial neural networks (ANNs) trained with QSPR descriptors to predict RON and MON individually to compute OS (derived octane sensitivity (dOS)), and using ANNs trained with QSPR descriptors to directly predict OS. Twenty-five ANNs were trained for both RON and MON and their test sets achieved an overall 6.4% and 5.2% error, respectively. Twenty-five additional ANNs were trained for both dOS and OS; dOS calculations were found to have 15.3% error while predicting OS directly resulted in 9.9% error. A chemical analysis of the top QSPR descriptors for RON/MON and OS is conducted, highlighting desirable structural features for high-performing molecules and offering insight into the inner mathematical workings of ANNs; such chemical interpretations study the interconnections between structural features, descriptors, and fuel performance showing that connectivity, structural diversity, and atomic hybridization consistently drive fuel performance.

09 BIOMASS FUELS↗

Structural and Soft Magnetic Properties of Nickel-Substituted Co-Zn Nanoferrites

Nickel-substituted cobalt-zinc nanoferrites (Co{sub 0.5−x}Zn{sub 0.5}Ni{sub x}Fe{sub 2}O{sub 4}, x = 0.05 to 0.25 in steps of 0.05) were synthesized in a citric acid auto-combustion method. Divalent strong paramagnetic nickel ions substituted in place of ferromagnetic cobalt ions resulted in slight modifications over structural and significant changes in magnetic properties of the system. All samples were characterized with X-ray diffraction technique for structure determination. Crystallite sizes were calculated using the Williamson-Hall plot and size-strain plots, from these lattice strain and microstrain were discussed. Transmission electron microscopy measurements were done for the base sample (x = 0), and they showed well-developed spherical particles with an average size of 35 nm. SEM micrograph was recorded for the base sample to observe surface morphology, and it was observed to be stoichiometric, as evident from EDAX measurements. Saturation magnetization, remanence, coercivity and remanence ratio were measured using M-H loops recorded using a vibrating sample magnetometer at room temperature. Magnetocrystalline anisotropy was discussed with the help of magnetocrystalline anisotropy constant (K{sub 1}) obtained from the law of approach to saturation method.

36 MATERIALS SCIENCE↗

A systematic method for selecting molecular descriptors as features when training models for predicting physiochemical properties

Machine learning has proven to be a powerful tool for accelerating biofuel development. Although numerous models are available to predict a range of properties using chemical descriptors, there is a trade-off between interpretability and performance. Neural networks provide predictive models with high accuracy at the expense of some interpretability, while simpler models such as linear regression often lack in accuracy. In addition to model architecture, feature selection is also critical for developing interpretable and accurate predictive models. We present a method for systematically selecting molecular descriptor features and developing interpretable machine learning models without sacrificing accuracy. Our method simplifies the process of selecting features by reducing feature multicollinearity and enables discoveries of new relationships between global properties and molecular descriptors. To demonstrate our approach, we developed models for predicting melting point, boiling point, flash point, yield sooting index, and net heat of combustion with the help of the Tree-based Pipeline Optimization Tool (TPOT). For training, we used publicly available experimental data for up to 8351 molecules. Our models accurately predict various molecular properties for organic molecules (mean absolute percent error (MAPE) ranges from 3.3% to 10.5%) and provide a set of features that are well-correlated to the property. This method enables researchers to explore sets of features that significantly contribute to the prediction of the property, offering new scientific insights. To help accelerate early stage biofuel research and development, we also integrated the data and models into a open-source, interactive web tool.

09 BIOMASS FUELS↗

Structural, Optical, and Magnetic Properties of Nd-Doped CeO{sub 2} Nanoparticles Codoped with Transition Metal Elements (Cu, Zn, Cr)

In the present work, pure CeO{sub 2}, neodymium-doped CeO{sub 2}, and neodymium and transition metal element (Cu, Zn, Cr)-codoped CeO{sub 2} nanoparticles were synthesized by an auto-combustion method and annealed at 700 {sup ∘}C. The X-ray diffraction (XRD) studies revealed that all the samples exhibited a single-phase cubic fluorite structure with the incorporation of respective dopant ions into the CeO{sub 2} lattice. The scanning electron microscopy (SEM) images displayed the prepared nanoparticles which had an irregular flaky structure with large agglomerations. The Fourier transform Raman (FT-Raman) spectroscopy analysis revealed the increased oxygen vacancy defects in CeO{sub 2} host after doping and codoping with neodymium and transition metal elements. Ultraviolet-diffuse reflectance spectroscopy (UV-DRS) studies revealed the decrease in bandgap values in doped and codoped samples compared to pure CeO{sub 2} sample. The Fourier transform infrared spectroscopy (FTIR) studies revealed the presence of functional groups in the prepared samples. Photoluminescence (PL) spectroscopy analysis reported the decreased luminescence intensities of Nd-doped and neodymium and transition metal-codoped CeO{sub 2} nanoparticles. The vibrating sample magnetometer (VSM) results depicted that all the samples exhibited room-temperature ferromagnetism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Heating effects on jack pine pyrogenic organic matter properties from a pyrocosm study in 2022

This dataset contains data associated with the preprint “Fire removes preexisting pyrogenic organic matter from the ecosystem through the mechanisms of both direct combustion and increasing mineralizability” (Luo et al., 2025b), which is the complementary study to the published paper “Reburning pyrogenic organic matter: a laboratory method for dosing dynamic heat fluxes from above” (Luo et al., 2025a). We designed a full-factorial experiment with different burial depths of jack pine (Pinus banksiana Lamb) pyrogenic organic matter (PyOM) (Surface, 1 cm, and 5 cm) and different heat-flux profiles (High, Low, and Control) to examine how subsequent fires affect the properties of preexisting PyOM. We measured total carbon (C), pH, dissolved organic carbon (DOC), dissolved inorganic carbon (DIC), and mineralized C (as CO₂-C, from a 12-week incubation).We found that high heat flux and/or surface placement resulted in substantial direct C losses through combustion. Intermediate heat exposure produced both combustion losses and increases in DOC and mineralizability, which may have complex long-term implications: an increased dissolved fraction of PyOM may promote downward transport into mineral soils and potentially contribute to deeper, longer-term C storage, but it may also make PyOM more susceptible to microbial decomposition. Under the lowest heat flux and deepest burial, most PyOM was retained, and changes in DOC and C mineralization were minimal. Finally, PyOM pH, an important chemical property, decreased under low-temperature heating but increased under higher temperatures.We uploaded pH data for all samples (“pH_of_all_samples.csv”); pH and temperature-related data (peak temperature and degree hours) for samples in High and Low heat-flux treatments (“pH_vs_peakT_and_degree_hours_only_for_heated_samples.csv”); total C data (“CN_pct_C_stock_C_loss_in_samples.csv”); DOC and DIC data (“doc_dic.csv”); and mineralized C (CO₂-C) data (“CO2-C_all_original.csv”). Additional details can be found in the Methods & Sampling section.All datasets uploaded to ESS-DIVE are clearly labeled, cleaned, and include both raw and derived data, ready for reuse in other analyses. All analysis code and raw datasets are also available on GitHub: https://github.com/MengmengLuo/Fire-removes-preexisting-pyrogenic-organic-matter-from-the-ecosystem.

54 ENVIRONMENTAL SCIENCES↗

Thermodynamic Analysis of Prospects for Using Aluminum- and Boron-Containing Clusters in Combined High-Energy Fuels

The high enthalpies of combustion of atomic clusters Al{sub n}, B{sub n}, and C{sub n} (n = 1, 2, …, 7), Al{sub n}C{sub m} and B{sub n}C{sub m} (n = 1, …, 5 and m = 1, …, 5), Al{sub n}B{sub m} (n + m ≤ 7), and Al{sub n}H{sub m} and B{sub n}H{sub m} (n = 1, …, 4 and m ≤ 12) have been assessed. The specific energy release, the final adiabatic temperature, and the effectiveness of the combustion products of fuel mixtures based on kerosene, dimethyl ether, and ethyl alcohol with small additions of such clusters have been determined under the assumption of attaining a thermodynamic equilibrium in their combustion products. An analysis has been made of the potentials of small aluminum- and boron-containing clusters for use in improving thermochemical properties of the fuels. It has been shown that adding such clusters to traditional fuels in the amount of 10% of the fuel mass can increase the specific energy release of the fuel by 2 MJ/kg, the effectiveness of combustion products of the fuel by 10%, and their final temperature by 200 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Aviation Fuel Characterization at Operationally Relevant Conditions

To accelerate approval and potentially expand the allowable property range for aviation fuels, we are using high performance computing simulations to reveal fuel property effects on aviation combustor performance. These simulations are supported by fuel property measurements over temperatures and pressures that the fuel experiences in an aircraft engine and by validated chemical kinetics models for SAF combustion. Here we report density, viscosity, and surface tension results for conventional jet fuel and multiple synthetic fuels from -30 degrees Celsius to 200 degrees Celsius (-40 degrees Celsius for viscosity) and 1 atm to 70 atm including an assessment of method repeatability. Properties of surrogate mixtures are also investigated. Distillation, ICN, LHV, flashpoint, and Cp are also reported, and data are being used to develop models to predict fuel properties from composition (GCxGC).

33 ADVANCED PROPULSION SYSTEMS↗

Raman Spectroscopy for the On Line Analysis of Oxidation States of Oxygen Carrier Particles

The need for cleaner energy systems, including CO 2 capture technologies, is driving the current development of new combustion approaches such as chemical looping combustion (CLC). This process is based on using oxygen carrier particles (OCPs) such as iron oxides, copper oxides, calcium sulfates, etc. to provide the oxygen for the combustion process. In order to optimize the overall process performance, it is critical that the properties of the oxygen carriers are well-defined and maintained for their specific purpose during the different stages of the CLC process. One of the critical properties of the oxygen carrier is its oxidation state (e.g., content of Fe 2 O 3 vs. Fe 3 O 4 ) as it affects the fundamental operation of the CLC process. Unfortunately, the ability to make on-line measurements of the oxidation state of oxygen carriers is lacking and new sensors need to be developed. Our goal is to develop a sensor for the on-line analysis of the oxidation state of oxygen carrier particles and to demonstrate its feasibility. Oxygen carrier particles (OCPs) of interest include iron oxides, copper oxides, and calcium sulfate, with particle sizes typically less than 0.5 mm diameter. The expected operating conditions of the sensor include OCP temperatures in the range of 800 °C to 1000 °C, and pressures of about 10 atm. The expected results are to be of a statistical nature, providing relative concentrations of the different oxidation states. These requirements make a strong case for using non-contact, stand-off, pulsed Raman spectroscopy as a sensor for the high-temperature on-line analysis of oxygen carrier particles. In order to achieve our goal, we have set up and tested a pulsed Raman spectroscopy system in combination with a pressurized high-temperature sample chamber, and have taking initial Raman spectra of various materials at high temperature. We are now in the process of optimizing the operating parameters such as laser wavelength, laser intensity, collection optic design, focal spot size, data acquisition, etc. We will also develop an analysis procedure for the interpretation of the Raman spectra. Typical Raman spectra consist of a convolution of background signal and multiple individual spectra. In order to extract relevant information such as the concentration ratio of a material in different oxidation states, we need to process (background subtraction, deconvolution, fitting, etc.) the measured data. In addition, statistical modeling and multivariate calibration need to be performed to correctly analyze the Raman spectra.

20 FOSSIL-FUELED POWER PLANTS↗

Performance and Emission Investigations of Jatropha and Karanja Biodiesels in a Single-Cylinder Compression-Ignition Engine Using Endoscopic Imaging

Biofuels produced from non-edible sources that are cultivated on marginal lands represent a viable source of renewable and carbon-neutral energy. In this context, biodiesel obtained from Jatropha and Karanja oil seeds have received significant interest, especially in South Asian subcontinent. Both of these fuels are produced from non-edible plant seeds with high oil content, which can be grown on marginal lands. In this research, we have investigated the performance and emission characteristics of Jatropha and Karanja methyl esters (biodiesel) and their blends with diesel. Another objective is to examine the effect of long-term storage on biodiesel’s oxidative stability. The biodiesels were produced at Indian Institute of Technology Kanpur, (IIT Kanpur), India, and the engine experiments were performed in a single cylinder, 4-stroke, compression ignition engine at Argonne National Laboratory (ANL), Chicago. An endoscope was used to visualize in-cylinder combustion events and examine the soot distribution. The effects of fuel and start of injection (SOI) on engine performance and emissions were investigated. Results indicated that ignition delay was shorter with biodiesel. Consequently the cylinder pressure and premixed heat release were higher for diesel compared to biodiesel. Engine performance data for biodiesel (J100, K100) and biodiesel blends (J30, K30) showed an increase in break thermal efficiency (BTE) (10.9%, 7.6% for biodiesel and blend, respectively), BSFC (13.1% and 5.6%), and NOx emission (9.8% and 12.9%), and a reduction in BSHC (8.64% and 12.9%), and BSCO (15.56% and 4.0%). The soot analysis from optical images qualitatively showed that biodiesel and blends produced less soot compared to diesel. The temperature profiles obtained from optical imaging further supported higher NOx in biodiesels and their blends compared to diesel. Additionally, the data indicated that retarding the injection timing leads to higher BSFC, but lower flame temperatures and NOx levels along with higher soot formation for all test fuels. The physicochemical properties such as fatty acid profile, cetane number, and oxygen content in biodiesels support the observed combustion and emission characteristics of the fuels tested in this study. Finally, the effect of long-term storage is found to increase the glycerol content, acid value and cetane number of the two biodiesels, indicating some oxidation of unsaturated fatty acids in the fuels.

09 BIOMASS FUELS↗

Co-Optima Project E2.2.2: Accelerate Development of ACI/LTC Fuel Effects on RCCI Combustion

Many advanced combustion approaches have demonstrated potential for achieving diesel-like thermal efficiency but with much lower pollutant emissions of particulate matter (PM) and nitrogen oxides (NOx). RCCI is one advanced combustion concept, which makes use of in-cylinder blending of two fuels with differing reactivity for improved control of the combustion phasing and rate (Reitz et al., 2015). Previous research and development at ORNL has demonstrated successful implementation of RCCI on a light-duty multi-cylinder engine over a wide range of operating conditions (Curran et al., 2015). Several challenges were encountered when extending the research to practical applications, including limits to the operating range, both for high and low loads. Co-optimizing the engine and fuel aspects of the RCCI approach might allow these operating limits to be overcome. The in-cylinder mechanisms by which fuel properties interact with engine operating condition variables is not well understood, however, in part because RCCI is a new combustion concept that is still being developed, and limited data have been acquired to date, especially using in-cylinder optical/imaging diagnostics. The objective of this work is to use in-cylinder diagnostics in a heavy-duty single-cylinder optical engine at SNL to understand the interplay between fuel properties and engine hardware and operating conditions for RCCI in general, and in particular for the light-duty multi-cylinder all-metal RCCI engine experiments at ORNL.

02 PETROLEUM↗

Effect of Sc{sup 3+} on structural and magnetic properties of Mn-Zn nano ferrites

In the present investigation, for the first time, we report on the effect of Sc{sup 3+} on the structural and magnetic properties of Mn{sub 0.5}Zn{sub 0.5}Sc{sub y}Fe{sub 2-y}O{sub 4} (y = 0.01, 0.03 and 0.05) nanoferrites synthesized by solution combustion method using the mixture of fuels. As synthesized powders were characterized for the detailed structural analysis by X-ray diffractometer (XRD), Fourier transmission infrared spectroscopy (FTIR) and room temperature magnetic properties by using vibrating sample magnetometer (VSM). The results of XRD and FTIR confirm that the formation of nano crystalline, single-phased Mn-Zn ferrite with cubic spinel structure belongs to Fd-3m space group. The room temperature magnetic studies shows that, the saturation magnetization (M{sub S}), remanence magnetization (M{sub R}) and magnetic moment (η{sub B}), magnetic particle size (D{sub m}) have found to increase with Sc{sup 3+} ion concentration up to x = 0.3 and then decrease. The values of αY-K and the magnetic particle size (D{sub m}) are found to be in the range of 68-75° and 10-19 nm respectively, with Sc{sup 3+} concentration.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Magnetic and magneto elastic properties of cobalt ferrite ceramic compacted through cold isostatic pressing

Nano crystalline CoFe{sub 2}O{sub 4} powder was prepared by combustion synthesis method. As synthesized powder was calcined at an appropriate condition to remove the impurities and to promote phase formation. Phase pure CoFe{sub 2}O{sub 4} powder was pressed into cylindrical rod at an applied pressure of 200 MPa using a cold isostatic pressing. Sintering of the green compact at 1350°c for 12 hrs resulted in sintered cylindrical rod with ~85% of the theoretical density. Single phase cubic spinel structure was observed in the powder x-ray diffraction pattern of the sintered pellet. Scanning electron micrographs (SEM) of the as sintered pellet revealed the microstructure to be composed of ferrite grains of average size ~4 µm. Saturation magnetization of 72 emu/g and coercivity of 355 Oe were observed for cobalt ferrite sample. The magnetostriction was measured on a circular disc (12 mm diameter and 12 mm length) with the strain gauge (350 Ω) mounted on the flat surface of the circular disc. Magnetostriciton of 180 ppm and strain derivative of 1 × 10{sup −9} m/A were observed for the sintered CoFe{sub 2}O{sub 4} sample.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Shear and combustion characterization of printable ammonium perchlorate composite propellant formulations

Seven formulations of ammonium perchlorate composite propellant (APCP) are developed and their properties relevant for successful additive manufacture are characterized. Extrusion in a custom-built 3D printing system and spindle viscometry are used to collect viscosity measurements of curing primary and non-curing secondary versions of the formulations. The formulations that behave similarly to a Bingham plastic, with apparent viscosities between 4 and 8 thousand Pa*s at 30 minutes post-mix, are determined to be most suitable for printing applications. Measurements of one material show a yield stress of 1 kPa. Ambient pressure burn rates of 2.0–2.9 mm/s were measured for the compositions tested. All measured burn rates were comparable to the lower end of typical burn rates for APCP. In conclusion, the results of the characterization demonstrate a propellant suitable for use in a 3D printing system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗