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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

CE ABM (Circular Economy Agent-Based Model) [SWR 20-113]

The CE ABM framework aims to evaluate the techno-economic, market, and social conditions that maximize the value retention and minimize raw material inputs of different circular economy (CE) strategies. Several types of agents are defined in the model, such as asset owners, service providers, recyclers, and manufacturers and modeled CE strategies are design-for-circularity, products and components reuse, and recycling. In addition to techno-economic relations, the CE ABM framework accounts for behavioral factors such as social norms and trust. (Title previously known as "ABSiCE (Agent-Based Simulations of the Circular Economy)". Updated Oct 27, 2023)

Walzberg, Julien↗
DOE OSTI2025

Manufacturing of Al-Ce/Metal-Matrix-Composites (MMC) for Harsh Environments

An integrated modeling/simulation and experimental approach will be used to design and synthesize Al-Ce/MMC for use in key technologies where improved energy efficiency and performance is harsh environments is required. Modeling and simulation work including thermodynamic modeling, DFT calculations, and continuum modeling of casting processes and mechanical behavior, will be combined with lab-scale synthesis to identify potential matrix and reinforcing phase compositions for large-scale synthesis. The experimental synthesis work will rely on lab-scale casting and gas atomization to identify the optimal matrix compositions for pilot/commercial-scale synthesis is Al-Ce/MMC. Selected Al-Ce/MMC will be synthesized by commercial scale melt processing, powder metallurgy and thermomechanical processing. The corrosion resistance, mechanical properties as a function of temperature, and thermal conductivity of the composites will be characterized to validate target properties are met or exceeded. This work will focus on two selected applications; however, the design framework will have broad applicability for composites for numerous harsh service condition applications. We will have synthesized Al-Ce/MMC that exhibit better performance in harsh environments than currently used materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Al-Ce Alloy-Based Compact Heat Exchanger for Refrigerant Charge Reduction and Unprecedented Durability

• Oak Ridge National Laboratory and Eck Industries produced and characterized durable and corrosion resistant Al-Ce-Mg alloy-based heat exchanger. • Eck Industries successfully casted Al-Ce-Mg heat exchanger. • ORNL characterized reaction bonding between Al-2Ce-6Mg alloy and stainless-steel tube in a heat exchanger header. • Metallurgical bonds were achieved between stainless steel tubes and Al-Ce-Mg alloy cast headers. • ORNL performed corrosion testing on Al-Ce-Mg alloy/stainless steel tube reactive bond interface. • In most cases no significant changes to the reactive bond morphology or compositional distribution were observed in the samples after exposure to acid for 267h acid.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Polarization-dependent photoluminescence of Ce-implanted MgO and MgAl 2 O 4

Since the qubit's performance of solid-state spin centers depends highly on the host material, spin centers using new host materials may offer new qubit applications. We investigate the optical properties of Ce-implanted MgO and MgAl 2 O 4 as potential materials holding the optically accessible qubit. We find that the photoluminescence of Ce-implanted MgAl 2 O 4 is more than 10 times brighter than that of Ce-implanted MgO and observe polarization-dependent emission of Ce center in MgAl 2 O 4 with 2% at 4 K under 500 mT, suggesting that the properties required for initializing and reading the state of the spin qubit have been achieved.

42 ENGINEERING↗
NASA NTRS1990

Preparation and characteristics of superconducting cuprate thin films: Nd(2-x)Ce(x)CuO4 and substituted Bi-system

Characteristics of the electron-doped-type Nd(2-x)Ce(x)CuO4 systems and substituted Bi2(Sr,Ln)3Cu2Oy system were systematically studied using the high quality thin-film samples. The Nd(2-x)Ce(x)CuO4 thin films with various Ce concentrations, x, were prepared by RF magnetron sputtering on SrTiO3 heated at around 500 C. After subsequent annealing at 1100 C in air, the films showed the c-axis orientation normal to the substrates. By means of the reducing treatment (annealing in a vacuum), superconductivity was induced for the films with 0.14 is less than or equal to x is less than or equal to 0.18. The superconductivity and transport properties of the films were strongly affected by the reducing treatment. The x = 0.15 film exhibited a sharp superconducting transition with zero resistivity at 22 K, in consistent with the diamagnetic properties. The resistivity of the films was fairly low with metallic characteristics, and the sight of the Hall coefficient was negative in the normal state. On the other hand, the normal-state optical measurements showed that the undoped Nd2CuO4 is a semiconductor with a charge transfer gap of 1.3 eV, and that, when Ce ions were doped, a plasma reflection due to the free-carriers came to be seen with the plasma frequency of 1.07 eV for 0.14 is less than or equal to x is less than or equal to 0.18. Moreover, x ray photoemission study revealed that the Cu valence of the film decreased for 2(+) for x = 0 to 1(+) for x = 0.15. These physical properties are in contrast with those of hole-doped-type cuprate superconductors. Bi2(Sr,Ln)3Cu2Oy thin films were also prepared on MgO substrates heated at 600 to 700 C by similar methods. It was found that the growth conditions for Bi-systems with two CuO2 planes were different for each composition and species of lanthanoid in the films. Moreover, preparation of Bi-system with three CuO2 planes was very difficult when lanthanoid atoms were doped in the system. Their electric transport properties and x ray photoemission spectroscopy were investigated. Carrier concentration and Cu valence were discussed with regard to the superconductivity.

Adachi, H.↗
NASA NTRS2015

Drought Variability in the Eastern Australia and New Zealand Summer Drought Atlas (ANZDA, CE 1500-2012) Modulated by the Interdecadal Pacific Oscillation

Agricultural production across eastern Australia and New Zealand is highly vulnerable to drought, but there is a dearth of observational drought information prior to CE (Christian Era) 1850. Using a comprehensive network of 176 drought-sensitive tree-ring chronologies and one coral series, we report the first Southern Hemisphere gridded drought atlas extending back to CE 1500. The austral summer (December-February) Palmer drought sensitivity index reconstruction accurately reproduces historically documented drought events associated with the first European settlement of Australia in CE 1788, and the leading principal component explains over 50 percent of the underlying variance. This leading mode of variability is strongly related to the Interdecadal Pacific Oscillation tripole index (IPO), with a strong and robust antiphase correlation between (1) eastern Australia and the New Zealand North Island and (2) the South Island. Reported positive, negative, and neutral phases of the IPO are consistently reconstructed by the drought atlas although the relationship since CE 1976 appears to have weakened.

Palmer, Jonathan G.↗
DOE OSTI2020

Materials Data on Ce(IO3)4 by Materials Project

Ce(IO3)4 crystallizes in the tetragonal P4_2/n space group. The structure is one-dimensional and consists of two Ce(IO3)4 ribbons oriented in the (0, 0, 1) direction. Ce4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.36 Å) and four longer (2.41 Å) Ce–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Ce4+ and one I5+ atom. The O–I bond length is 1.86 Å. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Ce4+ and one I5+ atom. The O–I bond length is 1.85 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.81 Å. I5+ is bonded in a 3-coordinate geometry to three O2- atoms. The I–O bond length is 1.81 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce(C2N3)3 by Materials Project

Ce(C2N3)3 crystallizes in the orthorhombic Cmcm space group. The structure is zero-dimensional and consists of four Ce(C2N3)3 clusters. Ce3+ is bonded in a 3-coordinate geometry to three N3- atoms. There are two shorter (2.16 Å) and one longer (2.61 Å) Ce–N bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a bent 150 degrees geometry to two N3- atoms. There is one shorter (1.61 Å) and one longer (2.21 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.22 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to one Ce3+ and four equivalent C4+ atoms. In the second N3- site, N3- is bonded in an L-shaped geometry to one C4+ and one N3- atom. The N–N bond length is 1.19 Å. In the third N3- site, N3- is bonded in a linear geometry to two equivalent N3- atoms. In the fourth N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Ce3+ and one C4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce(AlSi)2 by Materials Project

Al2CeSi2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ce is bonded to six equivalent Si atoms to form distorted CeSi6 octahedra that share corners with twelve equivalent AlSi4 tetrahedra, edges with six equivalent CeSi6 octahedra, and edges with six equivalent AlSi4 tetrahedra. All Ce–Si bond lengths are 3.03 Å. Al is bonded to four equivalent Si atoms to form distorted AlSi4 tetrahedra that share corners with six equivalent CeSi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent CeSi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range from 22–53°. There are three shorter (2.52 Å) and one longer (2.54 Å) Al–Si bond lengths. Si is bonded to three equivalent Ce and four equivalent Al atoms to form a mixture of distorted corner and edge-sharing SiCe3Al4 pentagonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce(AlBr4)3 by Materials Project

Ce(AlBr4)3 crystallizes in the trigonal P3_121 space group. The structure is one-dimensional and consists of one Ce(AlBr4)3 ribbon oriented in the (0, 0, 1) direction. Ce3+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Ce–Br bond distances ranging from 2.99–3.20 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Al–Br bond distances ranging from 2.27–2.41 Å. In the second Al3+ site, Al3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are two shorter (2.33 Å) and two longer (2.34 Å) Al–Br bond lengths. There are six inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted L-shaped geometry to one Ce3+ and one Al3+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Al3+ atom. In the third Br1- site, Br1- is bonded in a distorted L-shaped geometry to one Ce3+ and one Al3+ atom. In the fourth Br1- site, Br1- is bonded in an L-shaped geometry to one Ce3+ and one Al3+ atom. In the fifth Br1- site, Br1- is bonded in a single-bond geometry to one Al3+ atom. In the sixth Br1- site, Br1- is bonded in a distorted L-shaped geometry to one Ce3+ and one Al3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2022

CLARION2-TRINITY: A Compton-suppressed HPGe and GAGG:Ce-Si-Si array for absolute cross-section measurements with heavy ions

The design and performance of a new Compton-suppressed HPGe and charged-particle array, CLARION2-TRINITY, are described. The TRINITY charged-particle array is comprised of 64 Cerium-doped Gadolinium Aluminum Gallium Garnet (GAGG:Ce) crystals configured into five rings spanning 7–54 degrees, and two annular silicon detectors that can shadow or extend the angular coverage to backward angles with minimal $\gamma$-ray attenuation. GAGG:Ce is a non-hygroscopic, bright, and relatively fast scintillator with a light distribution well matched to SiPMs. Count rates up to 40 kHz per crystal are sustainable. Fundamental characteristics of GAGG:Ce are measured and presented, including light- and heavy-ion particle identification (PID) capability, pulse-height defects, radiation hardness, and emission spectra. The CLARION2 array consists of up to 16 Compton-suppressed HPGe Clover detectors (efficiency at 1 MeV) configured into four rings (eight HPGe crystal rings) using a non-Archimedean geometry that suppresses back-to-back coincident 511-keV gamma rays. The entire array is instrumented with 100- and 500-MHz (14 bit) waveform digitizers which enable triggerless operation, pulse-shape discrimination, fast timing, and pileup correction. Lastly, two examples of experimental data taken during the commissioning of the CLARION2-TRINITY system are given: a PID spectrum from 16 O + 18 O fusion-evaporation, and PID and Doppler-corrected -ray spectra from 48 Ti + 12 C Coulomb excitation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Structural and Optical Properties of High Entropy (La,Lu,Y,Gd,Ce)AlO 3 Perovskite Thin Films

Mixtures of Ce-doped rare-earth aluminum perovskites are drawing a significant amount of attention as potential scintillating devices. However, the synthesis of complex perovskite systems leads to many challenges. Designing the A-site cations with an equiatomic ratio allows for the stabilization of a single-crystal phase driven by an entropic regime. This work describes the synthesis of a highly epitaxial thin film of configurationally disordered rare-earth aluminum perovskite oxide (La 0.2 Lu 0.2 Y 0.2 Gd 0.2 Ce 0.2 )AlO 3 and characterizes the structural and optical properties. The thin films exhibit three equivalent epitaxial domains having an orthorhombic structure resulting from monoclinic distortion of the perovskite cubic cell. An excitation of 286.5 nm from Gd 3+ and energy transfer to Ce 3+ with 405 nm emission are observed, which represents the potential for high-energy conversion. These experimental results also offer the pathway to tunable optical properties of high-entropy rare-earth epitaxial perovskite films for a range of applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Thermal stability and coarsening of eutectic and near-eutectic Ni–Ce alloys

Ni–Ce alloys are currently being studied as a castable alternative to conventional Ni-based superalloys. To understand the evolution of microstructure and mechanical behavior at elevated temperatures, this study investigates the mechanism of coarsening behavior in eutectic and near eutectic Ni–Ce at 900 °C. The as-cast eutectic Ni–Ce consists of a combination of fine lamellar and rod eutectic colonies with coarser boundary regions. Upon annealing, continuous coarsening, via process of globularization, initiates at colony boundaries or primary dendrites where faults (termination and branches) in the lamellar structure are plentiful. Coarsening then proceeds by a combination of fault migration mechanism and lamellar boundary splitting, growing toward the center of the eutectic colonies with increasing annealing time. Coarsening near the center of a colony is extremely slow, indicating the eutectic microstructure itself is very stable. Here, the near-eutectic alloys containing primary dendrites coarsen and stabilize faster compared to the fully eutectic alloy. Moreover, an anomaly is observed in the hardness of the fully eutectic alloy after long exposure at elevated temperature compared to the near-eutectic alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Evaluation of high-temperature properties of binary, eutectic Ni-X alloys (X = B, Ca, Ce, La, Y, Zr)

We investigated the high-temperature behavior of binary eutectic nickel-base alloys with low-solubility elements, towards developing alloys with new combinations of structural and functional (e.g. thermal or corrosion) properties. Based on thermodynamic screening, we cast binary near-eutectic Ni-B, Ni-Ca, Ni-Ce, Ni-La, Ni-Y, and Ni-Zr alloys and characterized their microstructure and high-temperature properties. All alloys (except Ni-Ca) contain a fine eutectic microstructure, containing submicron alternating lamellae of γ-Ni and continuous intermetallic phases. The eutectic microstructure did not significantly coarsen at 700°C (except for Ni-B), but measurably coarsened in all alloys at 900°C, most quickly in Ni-B, followed by Ni-Ce, Ni-La, Ni-Y, and Ni-Zr. Coarsening in these alloys occurs by fault migration; diffusion within the intermetallic, and its interfacial energy, likely influence coarsening kinetics. At room-temperature, all alloys possess negligible ductility due to the continuous, brittle intermetallic. At 700 and 900°C, the Ni-Zr alloy showed the best combination of strength and ductility. Oxidation experiments at 900°C on Ni-Zr and Ni-Ce revealed heavy internal oxidation of the continuous intermetallic phase. Overall, the Ni-Zr alloy showed good high-temperature coarsening resistance and strength, though ductility and oxidation resistance require improvement for use in structural applications. Possible routes for improving alloy properties via additive manufacturing are discussed.

Ekaputra, Clement [ORNL] (ORCID:0000000307166479)↗
DOE OSTI2025

LaBr 3 : Ce self-activation analysis for measuring fast neutron fields

Measurement of the fast neutron production rate in deuterium–tritium (D–T) fusion reactions is important for applications such as active interrogation, fusion diagnostics, and borehole logging. Such measurements are typically performed by neutron activation analysis of metal foils, especially copper. Copper foil activation analysis requires efficiency and energy calibrations of the detector used to measure the foil, and it relies on the detection of 511 keV gamma rays, which are prominent in the active background when neutrons are being produced. Alternatives, such as 79m Br produced by inelastic neutron scattering on 79 Br, are limited by short half-life, low-energy gamma emission, and inability to selectively measure D–T neutrons. This work describes a novel alternative approach to measure ≳10 MeV neutron fields based on self-activation analysis of a LaBr 3 :Ce detector. The activity of 78 Br, the activation product of the 79 Br(n,2n) 78 Br reaction, is used to determine the neutron flux and infer the neutron production rate. We experimentally demonstrate the method with a cylindrical LaBr 3 :Ce crystal with a diameter and height of 3.81 cm that was placed at an ~18 cm distance from the neutron production point, at a 90° angle with respect to the deuteron beam in a D–T neutron generator. Operating voltage and current of the generator were adjusted to evaluate the technique’s performance over a nominal generator output range of approximately (1 - 9) x 10 7 n/s. The neutron output obtained from LaBr 3 :Ce activation agrees to within three standard deviations of the output obtained using copper activation. The self-activation technique can be conveniently employed in a variety of applications to simplify measurements of fast neutrons produced in D–T fusion reactions.

Active interrogationLaBr3↗
DOE OSTI2025

Shining light on nanoscale ‘vine-on-stick’ eutectic structures in the Al-Ce-Ni system

Multiphase eutectics often comprise entangled solid phases with nanoscale periodicity, making it difficult to unravel their 3D connectivity using conventional 2D techniques. Among such systems, the three-phase eutectic Al-Al 11 Ce 3 -Al 3 Ni stands out for its ultrafine (∼100 nm) interphase spacing and promising creep resistance, yet its microstructure remains relatively unexplored despite its potential for high-temperature applications. Here, we use scanning hard X-ray microscopy with an unprecedented ∼10 nm pixel size to resolve its 3D morphology. Reconstructions reveal a novel “vine-on-stick” motif, wherein Al 11 Ce 3 wraps around Al 3 Ni pillars. Analysis of phase tortuosities confirms that Al 11 Ce 3 exhibits more convoluted morphologies than Al 3 Ni. No orientation relationship was observed between the two intermetallics, suggesting that growth is controlled by local solute gradients rather than epitaxy. Fragmentation of intermetallics along their longitudinal axis suggests a Rayleigh-type breakup mechanism in solid state. The “vine-on-stick” pattern may generalize to other alloy systems with variable interfacial anisotropies and low mutual solubilities.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Czochralski Growth and Characterization of a Compositionally Complex Rare Earth Aluminum Garnet Scintillator: (Gd 1/4 Y 1/4 Tb 1/4 Lu 1/4 ) 3 Al 5 O 12 :Ce

Compositionally complex oxides have garnered increasing interest for their enhanced phase stability and tunable functional properties, yet their development as bulk single crystal scintillators remains limited. Herein, we report the Czochralski growth and characterization of (Gd 1/4 Y 1/4 Tb 1/4 Lu 1/4 ) 3 Al 5 O 12 :Ce (GYTLAG), a compositionally complex garnet incorporating four dodecahedrally coordinated principal rare earth elements. The garnet phase was confirmed by powder and single crystal X-ray diffraction, and macroscopic defects are described. X-ray absorption near-edge structure measurements confirm the 3+ oxidation state of all rare earths and support their occupation of the same crystallographic site; white line intensity variations correlate with the anticipated segregation behavior. Elemental segregation is quantified by SEM/EDS and ICP-OES, and a linear trend was established between the segregation coefficient and the difference between each rare earth’s ionic radius (r) and the average ionic radius (AIR) of the dodecahedral site. This trend offers a predictive framework for compositional control in future REAG crystals grown by the Czochralski method. Photoluminescence and radioluminescence measurements reveal both Ce 3+ and Tb 3+ emission. Scintillation pulses exhibit four-component decay with dominant ~230 µs and ~1.2 ms components, and the light yield is estimated to be up to 43,000 ph/MeV under 137Cs γ-ray excitation. GYTLAG also demonstrates a strong radioluminescence efficiency and 50% lower afterglow at 20 ms compared to a LuAG:Ce reference, underscoring its promise for scintillator applications.

Compositionally complex oxide, high entropy oxide,↗
DOE OSTI2020

Luminescence Quenching via Deep Defect States: A Recombination Pathway via Oxygen Vacancies in Ce-Doped YAG

Luminescence quenching via nonradiative recombination channels limits the efficiency of optical materials such as phosphors and scintillators and therefore has implications for conversion efficiency and device lifetimes. In materials such as Ce-doped yttrium aluminum garnet (YAG:Ce), quenching shows strong dependence on both temperature and activator concentration, limiting the fabrication of high-intensity white-light emitting diodes with high operating temperatures. Here, we reveal by means of first-principles calculations an efficient recombination mechanism in YAG:Ce that involves oxygen vacancies and gives rise to thermally activated concentration quenching. We demonstrate that the key requirements for this mechanism to be active are localized states with strong electron-phonon coupling. These conditions are commonly found for intrinsic defects such as anion vacancies in wide band gap materials. The present findings are therefore relevant to a broad class of optical materials and shine light on thermal quenching mechanisms in general.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗