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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Luminescent N-heterocyclic carbene Cu( I ) complexes with N^O chelating ligands exhibit microsecond lifetimes and photocatalytic activity

To replace precious noble metal-based photosensitizers in applications involving photoinduced charge separation, energy transfer, or photocatalysis, Cu(I) complexes are considered to be cost-effective, earth-abundant, and sustainable alternatives. An emerging and effective design principle in Cu(I) photosensitizers involves heteroleptic structures where the HOMO and LUMO are spatially separated over two different ligands. In the present work, we introduce a complementary class of heteroleptic, three-coordinate copper photosensitizers that pairs variable N^O chelating ligands (8-hydroxyquinoline and 10-hydroxybenzo[h]quinoline) with a bulky 2,6-diisopropylphenyl-substituted N-heterocyclic carbene (NHC). In this design, both frontier orbitals are localized on the same ligand, the N^O chelate, such that structural modulation of the electron-rich N^O-chelates can substantially tune the energy levels of the HOMO and LUMO, thereby controlling the photoluminescence properties. Detailed photophysical and electrochemical experiments as well as DFT calculations suggest charge-transfer transitions with intra-ligand charge transfer (ILCT) character, involving the N^O ligands. This strategy successfully produced long triplet excited-state lifetimes (up to 44 µs) in compounds that are strong photoreductants (E([Cu] + /*[Cu] as negative as −2.0 V vs. the ferrocenium/ferrocene couple). These properties allow these photosensitizers to be used as photocatalysts in various transformations of organic compounds, such as hydrogenation of substituted benzophenones, hydrodehalogenation of aryl/alkyl halides (including challenging C–Cl bond activation) and E/Z isomerization of (E)-stilbene (an example of triplet–triplet energy transfer).

Chakraborty, Soumi [University of Houston, TX (Uni↗
DOE OSTI2024

Reducing Richtmyer–Meshkov instability jet velocity via inverse design

In this work, we detail a novel application of inverse design and advanced manufacturing to rapidly develop and experimentally validate modifications to a shaped charge jet analog. The shaped charge jet analog comprises a copper liner, a high explosive (HE), and a silicone buffer. Here, we apply a genetic algorithm to determine an optimal buffer design that can be placed between the liner and the HE that results in the largest possible change in jet velocity. The use of a genetic algorithm allows for discoveries of unintuitive, complex, yet optimal buffer designs. Experiments using the optimal design verified the effectiveness of the buffer and validated the machine learning approach to hydrodynamic design optimization.

36 MATERIALS SCIENCE↗
DOE OSTI2021

First-principles design of a single-atom–alloy propane dehydrogenation catalyst

The complexity of heterogeneous catalysts means that a priori design of new catalytic materials is difficult, but the well-defined nature of single-atom–alloy catalysts has made it feasible to perform unambiguous theoretical modeling and precise surface science experiments. Herein we report the theory-led discovery of a rhodium-copper (RhCu) single-atom–alloy catalyst for propane dehydrogenation to propene. Although Rh is not generally considered for alkane dehydrogenation, first-principles calculations revealed that Rh atoms disperse in Cu and exhibit low carbon-hydrogen bond activation barriers. Surface science experiments confirmed these predictions, and together these results informed the design of a highly active, selective, and coke-resistant RhCu nanoparticle catalyst that enables low-temperature nonoxidative propane dehydrogenation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2003

Novel Route to Transition Metal Isothiocyanate Complexes Using Metal Powders and Thiourea

A new synthetic route to isothiocyanate-containing materials is presented. Eight isothiocyanate- 4-methylpyridine (y-picoline) compounds were prepared by refluxing metal powders (Mn, Fe, Co, Ni, and Cu) with thiourea in y-picoline. With the exception of compound 5,prepared with Co, the isothiocyanate ligand was generated in situ by the isomerization of thiourea to NH4+SCN- at reflux temperatures. The complexes were characterized by x-ray crystallography. Compounds 1,2, and 8 are the first isothiocyanate- 4-methylpyridine anionic compounds ever prepared and structurally characterized. Compounds 1 and 2 are isostructural with four equatorially bound isothiocyanate ligands and two axially bound y-picoline molecules. Compound 8 is a five-coordinate copper(II) molecule with a distorted square-pyramidal geometry. Coordinated picoline and two isothiocyanates form the basal plane and the remaining isothiocyanate is bound at the apex. Structural data are presented for all compounds.

Harris, Jerry D.↗
NASA NTRS2002

Lightweight, Actively Cooled Ceramic Matrix Composite Thrustcells Successfully Tested in Rocket Combustion Lab

In a joint effort between the NASA Glenn Research Center and the NASA Marshall Space Flight Center, regeneratively cooled ceramic matrix composite (CMC) thrustcells were developed and successfully tested in Glenn's Rocket Combustion Lab. Cooled CMC's offer the potential for substantial weight savings over more traditional metallic parts. Two CMC concepts were investigated. In the first of these concepts, an innovative processing approach utilized by Hyper-Therm, Inc., allowed woven CMC coolant containment tubes to be incorporated into the complex thruster design. In this unique design, the coolant passages had varying cross-sectional shapes but maintained a constant cross-sectional area along the length of the thruster. These thrusters were silicon carbide matrix composites reinforced with silicon carbide fibers. The second concept, which was supplied by Ceramic Composites, Inc., utilized copper cooling coils surrounding a carbon-fiber-reinforced carbon matrix composite. In this design, a protective gradient coating was applied to the inner thruster wall. Ceramic Composites, Inc.'s, method of incorporating the coating into the fiber and matrix eliminated the spallation problem often observed with thermal barrier coatings during hotfire testing. The focus of the testing effort was on screening the CMC material's capabilities as well as evaluating the performance of the thermal barrier or fiber-matrix interfacial coatings. Both concepts were hot-fire tested in gaseous O2/H2 environments. The test matrix included oxygen-to-fuel ratios ranging from 1.5 to 7 with chamber pressures to 400 psi. Steady-state internal wall temperatures in excess of 4300 F were measured in situ for successful 30-sec test runs. Photograph of actively cooled composite thrustcell fabricated by Hyper-Therm is shown. The thrustcell is a silicon-carbide-fiber-reinforced silicon carbide matrix composite with woven cooling channels. The matrix is formed via chemical vapor infiltration. Photograph of hot-fire test of an actively cooled carbon-fiber-reinforced carbon matrix composite thrustcell is also shown. This composite thrustcell, which was fabricated by CCI, Inc., was wound with copper cooling coils to contain the water coolant. The tests were run with oxygen fuel ratios up to seven with chamber pressures of 200 psia.

Jaskowiak, Martha H.↗
DOE OSTI2023

Surface Engineering of Copper Catalyst through CO* Adsorbate

The electrochemical reduction of CO 2 with Cu-based catalysts depends intimately on the instantaneous local chemical environment of the catalyst-electrolyte interface. This microenvironment fluctuates according to the concentration of surface-adsorbed competing reaction intermediates and the applied electrode potential. In practice, disentangling these factors is exceedingly challenging, yet they critically determine the electrocatalyst efficiency and selectivity. Using grand canonical quantum-classical hybrid calculations, we quantify the complex interdependence between electrode potential, CO* coverage, and the interfacial field strength. Here we show that the often overlooked CO* coverage effect in fact strongly influences the field strength, with a magnitude change exceeding 1V/Å at certain potentials; among other effects, this change should lower the CO* dimerization barrier that dictates selectivity toward multi-carbon products. Beyond showcasing the importance of surface coverage for CO2 reduction, our results highlight the power of surface additives to modulate interfacial fields toward tailored electrochemical pathways.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Cost-efficient copper-nickel alloy for active cooling applications

It is recently proposed that active (Peltier) and passive (conductive) cooling could be combined to design highly-efficient thermal conductors as active heat sinks. Here we study the potential of low-cost copper-nickel alloys for active cooling applications. We show that for this application, copper-nickel alloys prepared using industrial-grade powders to lower the manufacturing cost, are as good as copper-nickel alloys made out of high purity metals. Furthermore, directed energy deposition, a type of additive manufacturing, can produce copper-nickel alloys which have about 10 percent lower thermoelectric power factor compared to mechanical-alloying methods but have larger thermal conductivity values, hence, possessing similar effective thermal conductivity values, reaching 403 W m -1 K -1 at 390K. Much larger values are expected at higher temperatures. The usage of additive manufacturing enables complex geometries and large-scale production.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Status of LBNF/DUNE near site liquid argon proximity and external cryogenics systems development.

The Deep Underground Neutrino Experiment (DUNE) near site located at Fermilab will host the neutrino beam complex. It includes a high voltage liquid argon time projection chamber located 60-meter underground used as beamline instrumentation. The LAr cryogenic system provided by the Long-Baseline Neutrino Facility (LBNF) regulates thermohydraulic conditions of the membrane cryostat hosting the detector with 285 Ton purified LAr. The purification system uses molecular sieve and copper oxide pellets to manage the argon contamination below 100 ppt (parts per trillion) oxygen equivalent. The detector and its cryogenics are capable to move a stroke of 30 meters on/off beam. The cryogenic system modes of operation include the cryostat pressure test, purge in open loop, detector cooldown, cryostat fill, closed loop purification, liquid empty, and purification system activation/regeneration process. The system design status and schedule, and technical details such as operating modes and interfaces are reported in this paper.

43 PARTICLE ACCELERATORS↗
DOE OSTI2014

Direct femtosecond laser ablation of copper with an optical vortex beam

Laser surface structuring of copper is induced by laser ablation with a femtosecond optical vortex beam generated via spin-to-orbital conversion of the angular momentum of light by using a q-plate. The variation of the produced surface structures is studied as a function of the number of pulses, N, and laser fluence, F. After the first laser pulse (N=1), the irradiated surface presents an annular region characterized by a corrugated morphology made by a rather complex network of nanometer-scale ridges, wrinkles, pores, and cavities. Increasing the number of pulses (2 1000) and a deep crater is formed. The nanostructure variation with the laser fluence, F, also evidences an interesting dependence, with a coarsening of the structure morphology as F increases. Our experimental findings demonstrate that direct femtosecond laser ablation with optical vortex beams produces interesting patterns not achievable by the more standard beams with a Gaussian intensity profile. They also suggest that appropriate tuning of the experimental conditions (F, N) can allow generating micro- and/or nano-structured surface for any specific application.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Thermoluminescence characteristics of LiF: Cu nanocrystalline phosphor

Copper (Cu) activated LiF phosphor in nanocrystalline form has been prepared by the chemical co-precipitation method for radiation dosimetry application. The formation of nanocrystalline structure has been confirmed by X-ray diffraction and Scanning electron microscopy. Cubical shaped nanostructure with average particle size of 33nm has been formed. The sample was prepared at different concentration of Cu from 0.01mol% to 3 mol%. TL properties were investigated by studying the glow curve after irradiating the phosphor to gamma ray Co{sup 60} source with dose of 15 Gy. It has been found that nanocrystalline LiF: Cu show simple glow curve structure with a single glow peak at 404 K where as commercially available phosphors exhibits multi peak complex glow curve structure. The effect of different normality on the TL properties of phosphor has been studied. Maximum TL intensity for LiF: Cu (0.1mol %) phosphor is observed at the normality of 0.5N and annealing temperature of 200°C. The phosphor showed good linearity up to 10 KGy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Magnetic behavior of NiCu nanowire arrays: Compositional, geometry and temperature dependence

Arrays of Ni{sub 100−x}Cu{sub x} nanowires ranging in composition 0 ≤ x ≤ 75, diameter from 35 to 80 nm, and length from 150 nm to 28 μm have been fabricated by electrochemical co-deposition of Ni and Cu into self-ordered anodic aluminum oxide membranes. As determined by X-ray diffraction and Transmission Electron Microscopy, the crystalline structure shows fcc cubic symmetry with [111] preferred texture and preferential Ni or Cu lattice depending on the composition. Their magnetic properties such as coercivity and squareness have been determined as a function of composition and geometry in a Vibrating Sample Magnetometer in the temperature range from 10 to 290 K for applied magnetic fields parallel and perpendicular to the nanowires axis. Addition of Cu into the NiCu alloy up to 50% enhances both parallel coercivity and squareness. For the higher Cu content, these properties decrease and the magnetization easy axis becomes oriented perpendicular to the wires. In addition, coercivity and squareness increase by decreasing the diameter of nanowires which is ascribed to the increase of shape anisotropy. The temperature dependent measurements reflect a complex behavior of the magnetic anisotropy as a result of energy contributions with different evolution with temperature.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

The Octopus processor for the CMS L1 muon trigger for High Luminosity LHC

The upgraded L1 muon trigger system of the CMS experiment in the High Luminosity Large Hadron Collider is based on custom processors featuring large Field Programmable Gate Arrays (FPGAs) connected by large numbers of optical links. These provide the I/O bandwidth and power necessary to process the complex algorithms used during the collection of physics data. The design and performance requirements of these processors creates significant challenges in signal integrity, power delivery, and thermal management. In this paper we describe the Octopus processor, featuring a large Xilinx Virtex Ultrascale+ FPGA and up to 128 links interfaced to optics through high quality twin-ax copper cables. Results on signal integrity at 25 Gb/s and the first demonstration of 50+ Gb/s links with pluggable optics in CMS are also shown, demonstrating bit error rates below 10 –15 at a 95% confidence level. The thermal performance is measured inside an Advanced-TCA crate with acceptable thermal margins up to 200 W of chip power. Future improvements are mentioned, potentially allowing operation at up to 300 W.

Instruments & Instrumentation↗
DOE OSTI2015

Prediction of a New Phase of Cu x S near Stoichiometric Composition

Cu 2 S is known to be a promising solar absorber material due to its suitable band gap and the abundance of its constituent elements. Cu 2 S is known to have complex phase structures depending on the concentration of Cu vacancies. Its instability of phases is due to favorable formation of Cu vacancies and the mobility of Cu atoms within the crystal. Understanding its phase structures is of crucial important for its application as solar absorber material. In this paper, we have predicted a new crystal phase of copper sulfide (Cu x S) around chemical composition of x = 1.98 by utilizing crystal database search and density functional theory. We have shown that this new crystal phase of Cu x S is more favorable than low chalcocite structure even at stoichiometric composition of x = 2 . However, Cu vacancy formation probability was found to be higher in this new phase than the low chalcocite structure.

Khatri, Prashant↗
DOE OSTI2015

Diffusion behavior of copper atoms under Cu(II) reduction in Cucurbit[8]uril cavity at elevated temperatures

In this paper we describe copper clusters and nanoparticles formation by the reduction of copper (II) ions inside cavities of macrocycle molecules using supramolecular compound [Cu(Cyclen)(H{sub 2}O)@CB[8]](NO{sub 3}){sub 2}·12H{sub 2}O followed by Cu atoms diffusion between macrocycle CB[8] molecules. To understand the copper cluster genesis and nanoparticles formation x-ray powder diffraction (XRD), electron paramagnetic resonance (EPR), FTIR-spectroscopies, HRTEM and thermal analysis were used. It was found that atomic Cu(0) was not fixed in the cavity under heating, and Cu clusters and nanoparticles were formed by heating of supramolecular compound powder at 200–340 °C in He, but more preferably in H{sub 2}. The process was partially reversible after heating the powder up to 300 °C for 15 min and air exposure for a few months. The process was irreversible after heating of the sample at temperatures higher than 340 °C due to CB[8] cavitand decomposition. In general, exposure of the samples to air leads to oxidation and hydration clusters of Cu. Nanoparticles up to 600 nm in size formed on the surface of agglomerated polycrystalline powder at temperatures lower than 200 °C. The clusters less than 7 nm and 40 nm in size were formed at 300 °C inside and outside agglomerating polycrystalline powder, respectively. The diffusion coefficient of copper atoms inside polycrystalline CB[8] agglomerates equal to 10{sup −10} cm{sup 2}/s by heating the samples at 300 °C was found. - Graphical abstract: Copper nanoparticles and clusters are formed by the reduction of copper (II) ions inside cavities of macrocycle molecules at 200–340 °C in He, but more preferably in H{sub 2} using supramolecular compound [Cu(Cyclen)(H{sub 2}O)@CB[8]](NO{sub 3}){sub 2}·12H{sub 2}O followed by Cu atoms diffusion between macrocycle CB[8] molecules. Nanoparticles up to 600 nm in size formed on the surface of agglomerated polycrystalline powder at temperatures lower than 200 °C. The clusters less than 7 nm and 40 nm in size were formed at 300 °C inside and outside agglomerating polycrystalline powder, respectively. - Highlights: • We considered Cu NP's formation at CuCyclen thermolysis in H{sub 2} and He. • Initial complex CuCyclen was located inside cavitand CB[8]. • Cu(0) reduced in cavities diffuse between CB[8] molecules and Cu nuclei appear. • NPs less than 7 and 50 nm were formed inside and outside the CB[8] powder. • Coefficient of Cu(O) diffusion is 10{sup −10} cm{sup 2}/s for temperature at 300 °C.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗