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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Process for enhanced production of desired hydrocarbons from biologically-derived compounds and bio-oils containing cyclic compounds by opening of aromatics and naphthenic ring-containing compounds

A system and process for processing biologically-derived compounds or a complex bio-oil by converting cyclic compounds in a complex bio-oil or biologically-derived compounds to desired materials such as high molecular weight paraffins with minimal carbon loss by using a ring-contraction catalyst to selectively produce C5 ring containing compounds; and then reacting the C5 ring containing compounds with a C5 ring opening catalyst in a second reactor to minimize carbon loss via cracking reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Containers and refractory metal coating therefore for containing radioactive materials

Fabricating structural components for a spent nuclear fuel container using the steps of forming cylindrical or rectangular channels to produce a structural component for a spent nuclear fuel container and applying a coating that includes tantalum-based material to the cylindrical or rectangular channels.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Recent Advances in the Understanding of Boron-Containing Catalysts for the Selective Oxidation of Alkanes to Olefins

The production of ethylene and propylene through aerobic alkane oxidation without significant coproduction of CO and CO 2 (CO x ) presents a challenge to academic and industrial researchers alike. Recently, boron-containing materials such as hexagonal boron nitride (hBN) have been identified as active and selective catalysts for the oxidative dehydrogenation (ODH) of propane to propylene with minimal CO x selectivity. Additionally, high olefin selectivity is also obtained in the oxidation of other alkanes and other materials such as metal borides and supported B/SiO 2 have been successfully applied to this transformation. Here, recent advances in the understanding of these catalysts in the oxidation of light alkanes are presented here providing a framework for further study of this exciting field.

03 NATURAL GAS↗
DOE OSTI2015

The microstructure and mechanical properties of Al-containing 9Cr ODS ferritic alloy

In this study, a 9Cr oxide-dispersion strengthened (ODS) alloy with additional corrosion resistant element Al was fabricated by mechanical alloying (MA) and hot pressing (HP) to explore the impact of Al on the microstructure and mechanical property of a 9Cr ODS alloy. It is found that the Al completely dissolved into the FeeCr matrix after milling for 30 h. The minor phases in the Al-containing 9Cr ODS ferritic alloy were investigated by a high-energy X-ray, and were identified to be orthorhombic-YAlO3 (YAP), bcc-Y3Al5O12 (YAG), monoclinic-Al2Y4O9 (YAM), and hexagonal-YAlO3 (YAH). These phases were further confirmed by selected area diffraction pattern (SADP), energy dispersive spectroscopy (EDS), and high resolution transmission electron microscopy (HRTEM). In addition, their volume fractions were also calculated from the integrated intensities. According to the analysis of the particles and their formation sequences, the larger particles (greater than 100 nm) are identified as mainly YAG and Al2O3 particles, while the particles with small size (less than 30 nm) are likely primarily YAM, YAH, and YAP particles. The yielding strength (YS) and ultimate tensile strength (UTS) at RT are 563 MPa and 744 MPa, respectively, while the YS and UTS at 700 C are 245 MPa and 276 MPa, respectively. Although the addition Al in ODS alloys decreases the strength at RT, the values at high temperature are similar to those obtained for 9Cr ODS alloys strengthened by fine YeTieO particles.

Microstructure↗
DOE OSTI2014

Synthesis, characterization and magnetic properties of a manganese (II) silicate containing frustrated S=5/2 zig–zag ladders

The hydrothermal synthesis, structural characterization and magnetic properties of a manganese silicate with ideal formula of NaMn{sub 2}Si{sub 3}O{sub 8}(OH) is reported. This compound is a synthetic analog to the naturally occurring mineral Serandite. The crystal structure comprises MnO{sub 6} octahedra and SiO{sub 4} tetrahedra. The MnO{sub 6} share four edges with neighboring octahedra forming double chains. These chains are connected by silicate chains Si{sub 3}O{sub 8}(OH) resulting in an open framework structure with six-member ring channels where sodium ions are located. From the magnetic point of view, the intra-chain exchange between neighboring S=5/2 manganese ions is weak, partly due to the distortion observed in the octahedra, but also due to the frustrated topology of the chain. A successful fitting of the magnetic susceptibility was obtained by considering a double chain numerical model with Monte Carlo derived empirical parameters. -- Graphical abstract: A manganese silicate prepared hydrothermally with formula NaMn{sub 2}Si{sub 3}O{sub 8}(OH) possessing the structure of the mineral Serandite contains doubled chains of edge-sharing MnO{sub 6} octahedra. The magnetic susceptibility was measured and shows an antiferromagnetic behavior. Highlights: • Characterization of a synthetic analog to the mineral Serandite: NaMn{sub 2}Si{sub 3}O{sub 8}(OH). • Fitting of the magnetic susceptibility considering a classical regular chain. • Weak metal–oxygen–metal super-exchange interactions; antiferromagnetic in nature. • Elevated degree of frustration along the chain, without sign of interchain ordering.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Electrochromic performance of nanocomposite nickel oxide counter electrodes containing lithium and zirconium

Nickel oxide materials are suitable for counter electrodes in complementary electrochromic devices. The state-of-the-art nickel oxide counter electrode materials are typically prepared with multiple additives to enhance peformance. Herein, nanocomposite nickel oxide counter electrodes were fabricated via RF magnetron co-sputtering from Ni-Zr alloy and Li2O ceramic targets. The as-deposited nanocomposite counter electrodes were characterized with inductively coupled plasma mass spectrometry (ICP-MS), scanning electron microscopy (SEM), high-resolution transmission electron microscopy (HRTEM), X-ray diffraction (XRD), and X-ray absorption spectroscopy (XAS). It was found that the stoichiometry, crystal structure and electronic structure of the nickel oxide-based materials could be readily tuned by varying the Li2O sputter deposition power level. Comprehensive electrochromic evaluation demonstrated that the performance of the nickel oxide-based materials was dependent on the overall Li stoichiometry. Overall, the nanocomposite nickel oxide counter electrode containing lithium and zirconium synthesized with a Li2O deposition power of 45 W exhibited the optimal performance with an optical modulation of 71% and coloration efficiency of 30 cm2/C at 670 nm in Li-ion electrolyte.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Silver-Containing α-MnO 2 Nanorods: Electrochemistry in Na-Based Battery Systems

Manganese oxides are considered attractive cathode materials for rechargeable batteries due to the high abundance and environmental friendliness of manganese. In particular, cryptomelane and hollandite are desirable due to their ability to host cations within their octahedral molecular sieve (OMS-2) Alpha-MnO 2 structure. In this work, we investigate silver containing Alpha-MnO 2 structured materials (Ag x Mn 8 O 16 , x = 1.22, L-Ag-OMS-2 or 1.66, H-Ag-OMS-2) as host materials for Li ion and Na ion insertion/de-insertion. The results indicate a significant difference in the lithiation versus sodiation process the OMS-2 materials. Initial reduction of Ag 1.22 Mn 8 O 16 to 1.0 V delivered ~370 mAh/g. Cycling of Ag1.22Mn8O16 between voltage ranges of 3.8 - 1.7 V and 3.8 - 1.3 V in a Na battery delivered initial capacities of 113 and 247 mAh/g, respectively. In contrast, Ag1.66Mn8O16 delivered only 15 mAh/g, ~0.5 electron equivalents, to 1.7 and 1.3 volts. Study of the system by electrochemical impedance spectroscopy (EIS) showed a significant decrease in charge transfer resistance from 2029 Omega to 594 Omega after 1.5 electron equivalents per Ag 1.22 Mn 8 O 16 formula unit of Na ion insertion. In contrast, both Ag 1.22 Mn 8 O 16 and Ag 1.66 Mn 8 O 16 exhibited gradual impedance increases during lithiation. The formation of silver metal could be detected only in the sodiated material by X-ray diffraction (XRD). Thus, the impedance of Ag-OMS-2 decreases upon sodiation coincident with the formation of silver metal during the discharge process, consistent with the more favorable formation of silver metal during the sodiation process relative to the lithation process.

25 ENERGY STORAGE↗
DOE OSTI2024

Precision spectroscopy and laser-cooling scheme of a radium-containing molecule

Molecules containing heavy radioactive nuclei are predicted to be extremely sensitive to violations of the fundamental symmetries of nature. The nuclear octupole deformation of certain radium isotopes massively boosts the sensitivity of radium monofluoride molecules to symmetry-violating nuclear properties. Moreover, these molecules are predicted to be laser coolable. In this article, we report measurements of the rovibronic structure of radium monofluoride molecules, which allow the determination of their laser cooling scheme. We demonstrate an improvement in resolution of more than two orders of magnitude compared to the state of the art. Our developments allowed measurements of minuscule amounts of hot molecules, with only a few hundred per second produced in a particular rotational state. The combined precision and sensitivity achieved in this work offer opportunities for studies of radioactive molecules of interest in fundamental physics, chemistry and astrophysics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Evaluation of Attractive Interactions in the Second Coordination Sphere of Iron Complexes Containing Pendant Amines

The interactions between pendant amines in the second coordination sphere and ligands in the first coordination sphere are important for understanding the structures and reactivity of complexes containing PR2NR'2 ligands, which have been shown to be highly active H2 oxidation/production catalysts. A series of [Fe(PPh2NBn2)2(X)(Y)]n+ complexes have been prepared and structurally characterized. These complexes have two different ligands with which the pendant amines of the diphosphine ligand can interact. The solid state structure of cis-Fe(PPh2NBn2)2Cl2 reveals that the six-membered rings adjacent to the P atoms are in a boat confirmation, resulting in close N•••P distances that suggests the P atoms have a greater affinity for the lone pair of electrons on the N atom than chloride ligands. Similarly, boat conformations are observed for both rings adjacent to the hydride ligands of trans-[HFe(PPh2NBn2)2(CH3CN)]+ and trans-HFe(PPh2NBn2)2Cl, resulting in short N•••H distances. Spectroscopic and computational studies of trans-[HFe(PPh2NBn2)2(CO)]+, trans-[HFe(PPh2NBn2)(PPh2NBn2H)(CO)]2+, and trans-[HFe(PPh2NBn2)2(H2)]+ indicate the complexes are more stable when the pendant amines in boat conformations are adjacent to the hydride ligand. These data suggest an attractor ordering of H- > CO > H2 > PR3 > Cl- ~ CH3CN. This work was supported by the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Pacific Northwest National Laboratory (PNNL) is operated by Battelle for the U.S. DOE. Computations were performed using the Cascade supercomputer at the Environmental Molecular Sciences Laboratory, a National Scientific User Facility sponsored by the DOE’s Office of Biological and Environmental Research and located at PNNL.

Liao, Qian↗