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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Geology of Biblis Patera, Ulysses Patera, and Jovis Tholus, Mars

There are a variety of constructional volcanic features in Tharsis. These features range from Olympus Mons and the Tharsis Montes shields, to the small low shields and fissure eruptions that characterize much of the volcanic plains, to the smaller volcanic constructs in the northeast and western parts of Tharsis. I describe the geology of the western group, which includes Biblis Patera, Ulysses Patera, and Jovis Tholus. Each of these volcanoes has had a unique, and complex geologic history. Biblis Patera is located at 2.3 deg. N, 123.8 deg. The volcano is elongate in a northwesterly direction and has a large, faulted caldera complex. The flanks of the volcano and adjacent plains are characterized by lava flows, northwest-trending graben and troughs, and caldera-concentric graben and troughs. Biblis Patera is approximately 66 x 127 km with an oval 51 x 56 km caldera; the summit elevation is approximately 2 km above the surrounding plains. The constrcut has an estimated volume of 8-22 x 10(exp 3) cu km. Ulysses Patera is located at 2.7 deg. N, 121.3 deg. W and stands approx. 2-3 km above the surrounding plain; flank slopes are approximately 7 deg. to 12 deg. The caldera floor is quite deep, lying 1.8 to 2.2 km below the caldera rim. The caldera has a void volume of approximately 5000 cu km, the total solid mass volume of the volcano is 7-16 x 10(exp 3) cu km. Jovis Tholus is centered at 18.3 deg N; 117.5 deg W; it is a low relief, volcano with gentle flank slopes of between 3 and 8 deg. The construct is dominated by a series of inset calderas which make up the largest fraction of the area. The caldera complex is offset to the southwest side. Total shield dimensions are approximately 77 km (e-wt) by 62 km (n-s); the caldera complex is approximately 44 x 34 km. The shield is embayed on all sides by younger Amazonian age volcanics. Total relief, relative to the surrounding plains, is probably approximately 2 km. The total volume of Jovis Tholus is estimated to be approximately 2-5 x 10(exp 3) cu km.

Plescia, J. B.↗
DOE OSTI2023

Influence of electronic transport on electrochemical performance of (Cu,Mn) 3 O 4 solid oxide fuel cell cathodes

Alkaline Earth free spinel oxides provide a potential benefit over Sr-doped perovskite-based materials commonly used as electrodes in high-temperature electrochemical energy conversion devices, e.g., solid oxide fuel cells (SOFCs). Sr-segregation is a known issue leading to performance degradation. In this study, Cu x Mn 3-x O 4 (x = 1, 1.2, and 1.5) porous electrodes were examined as SOFC cathodes using electrochemical impedance spectroscopy to investigate the oxygen reduction reaction (ORR) kinetics in relation to the material's intrinsic conductivity, the extrinsic electrode structure, and the cell test design. Similar to the electronic conducting (La,Sr)MnO 3 SOFC cathodes, the ORR kinetics of Cu x Mn 3-x O 4 spinel electrodes was governed by the oxygen adsorption and diffusion at the particle surface as well as the charge transfer at the triple phase boundaries. The overall electrode polarization resistance was highly dependent on contact density with the metallic current collector, active material particle connectivity, electrode thickness, and the intrinsic electronic materials conductivity. Here, we describe the importance of effective electronic charge transport parallel to the electrode surface in maximizing the electrochemically active electrode volume and enhancing electrode performance. We discuss an approach to optimize cell and electrode design with respect to active materials properties. This aspect is critical to ensure reliable evaluation of new materials, since laboratory-scale button-cells typically exhibit a high degree of electrode microstructure (e.g. porosity, thickness) and electrical contact density variation from sample to sample.

(Cu,Mn)3O4↗
DOE OSTI2024

Ligand Noninnocence in β-Diketiminate and β-Diketimine Copper Complexes

Metal–ligand cooperative systems have a long precedent in catalysis, with the classification depending on the site of substrate bond cleavage and formation and on redox state changes. Recently, our group reported the participation of a β-diketiminate ligand in chemical bonding to heterocumulenes such as CO 2 and CS 2 by tricopper complexes, leading to cooperative catalysis. Herein, we report the reactivity of these copper clusters, [Cu 3 EL] – (E = S, Se; L = tris(β-diketiminate) cyclophane ligand), toward other electrophiles, viz. alkyl halides and Brønsted acids. We identified a family of ligand-functionalized complexes, Cu 3 EL (R) (R = primary alkyls), and a series of disubstituted products, Cu 3 EL (R) 2 , through single-crystal X-ray diffraction, mass spectrometry, and infrared and UV–visible spectroscopy. Furthermore, as part of mechanistic studies on these alkylation reactions, we evaluated the acid–base reactivity of these complexes and the influence of the backbone substitution on the reduction potential. Implications of these findings for ligand noninnocence and the relevance of the metal core as a cofactor for the ligand’s reactivity are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Additively-manufactured monocrystalline YBCO superconductor

Abstract Single-crystal microstructures enable high-performance YBa 2 Cu 3 O 7-x superconductors which are however limited to simple shapes due to their brittleness. Additive manufacturing can fabricate YBa 2 Cu 3 O 7-x superconductor with complex shapes, albeit with a polycrystalline microstructure. Here, we demonstrate a route to grow single-crystals from 3D-ink-printed, polycrystalline, sintered superconducting YBa 2 Cu 3 O 7-x (YBCO or Y123) + Y 2 BaCuO 5 (Y211), manufacturing objects with complex architectures displaying both high critical current density (J c =2.1 × 10 4 A . cm –2 , 77 K) and high critical temperature (T c = 88-89.5 K). An ink containing precursor powders (Y 2 O 3 , BaCO 3 , and CuO) is 3D-extruded into complex geometries and then reaction-sintered to obtain polycrystalline Y123 + Y211. A seed is then utilized to transform these 3D-printed parts from polycrystal to monocrystal via the melt growth method. The geometric details of 3D-printed parts survive the process without slumping, sagging or collapse, despite the long-term presence of liquid above the peritectic temperature. Origami structures can be created by sheet folding after 3D-printing. This additive approach enables the facile fabrication of superconducting devices with complex shapes and architectures, such as advanced undulator magnets to generate synchrotron radiation and microwave cavities for dark-matter axion search. This work highlights the potential of additive manufacturing for producing monocrystalline cuprate superconductors and opens the door to additive manufacturing of other monocrystalline functional ceramic or semiconductor materials.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Magnetic excitations from the hexagonal spin clusters in the 𝑆 = $\frac{1}{2}$ distorted honeycomb lattice antiferromagnet Cu 2 ⁢(pymca)⁢ 3 ⁢(ClO 4 )

Cu 2 ⁢(pymca) ⁢3 (ClO 4 ) (pymca: pyrimidine-2-carboxylate) consists of a slightly distorted honeycomb lattice of Cu 2+ spins, which shows no long-range magnetic order down to 0.6 K. A magnetization study revealed 1/3 and 2/3 plateau phases [A. Okutani et al., J. Phys. Soc. Jpn. 88, 013703 (2019)], which is not expected for regular honeycomb antiferromagnets. Inelastic neutron scattering experiments were performed using a powder sample to investigate the exchange interactions of this material. The spin excitations from the singlet ground state to the first three triplet states, predicted from the antiferromagnetic hexagonal spin cluster interacting with 3.9 meV, were observed. Using the exact diagonalization methods, the intercluster coupling was estimated from the excitation peak width to be about 20% of the intracluster interaction, which is consistent with the previously reported value. Finally, our exchange path model explains the anisotropic exchange interactions in the distorted honeycomb plane.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Configuration Space Integration for Adsorbate Partition Functions: The Effect of Anharmonicity on the Thermophysical Properties of CO–Pt(111) and CH 3 OH–Cu(111)

A method for computing anharmonic thermophysical properties for adsorbates on metal surfaces has been extended to include libration, or frustrated rotation. Classical phase space integration is used with Monte Carlo sampling of the configuration space to obtain the partition function of CO on Pt(111) and CH 3 OH on Cu(111). A minima-preserving neural network potential energy surrogate is used within the integration routines. Direct state counting using discrete variable representation is used to benchmark the results. We find that the phase space integration approach is in excellent agreement with the direct state counting results. Comparison with standard models such as the harmonic oscillator indicates that anharmonicity contributes significantly to the thermodynamic properties of CH 3 OH on Cu(111). We find that there is also a considerable difference between the harmonic oscillator and phase space integration for CO on Pt(111), although the discrepancy can largely be attributed to the presence of multiple binding sites within the unit cell. We demonstrate that a multisite harmonic oscillator model might be sufficient for CO-Pt(111). A more thorough description of the potential energy surface, which can be achieved with phase space integration, is necessary for weakly bound adsorbates such as CH 3 OH. In conclusion, the thermophysical properties were used to calculate free energies of adsorption on the respective metals, and subsequently the equilibrium constants and Langmuir isotherms in relevant temperature ranges. The results show that the choice of model to obtain partition functions greatly affects the resulting surface coverages in kinetic models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

SNS Device Made With Edge-Defined Geometry

YBa(2)Cu(3)O(7-delta)/Au/Nb superconductor/normal-conductor/superconductor (SNS) microbridge devices fabricated using now-standard lithographic techniques and edge geometry to define normally conducting links having submicron-by-several-microns cross-sectional dimensions. Edge geometry allows current to flow only in these planes and takes advantage of longer coherence length at critical YBa(2)Cu(3)O(7-delta)/Au/Nb interface. Sensitivity to damage on edge of YBa(2)Cu(3)O(7-delta)/Au/Nb reduced.

Hunt, Brian D.↗
DOE OSTI2020

Materials Data on Cu(NO)3 by Materials Project

CuN3O3 crystallizes in the orthorhombic Pnnm space group. The structure is zero-dimensional and consists of two copper, diamminebis(nitrato-kappao)- molecules and two copper;azanide molecules.

36 MATERIALS SCIENCE↗
NASA NTRS1996

Manufacturing Superconducting Cables

Process proposed for manufacture of cables containing ceramic high-temperature-superconductor YBa(2)Cu(3)O(7-a). For protection, superconducting ceramic encapsulated before activation. Cables carry electrical current with little or no loss of power when cooled to or below temperatures of about minus 200 degrees C. Process accommodates brittle nature of YBa(2)Cu(3)O(7-a) and economical and readily controllable. Also flexible in sense modified to accommodate variety of precursor materials to be processed into YBa(2)Cu(3)O(7-a).

England, Christopher↗
NASA NTRS2002

Evaluation of Small Mass Spectrometer Systems

This work is aimed at understanding the aspects of designing a miniature mass spectrometer (MS) system. A multitude of commercial and government sectors, such as the military, environmental agencies and industrial manufacturers of semiconductors, refrigerants, and petroleum products, would find a small, portable, rugged and reliable MS system beneficial. Several types of small MS systems are evaluated and discussed, including linear quadrupole, quadrupole ion trap, time of flight and sector. The performance of each system in terms of accuracy, precision, limits of detection, response time, recovery time, scan rate, volume and weight is assessed. A performance scale is setup to rank each systems and an overall performance score is given to each system. All experiments involved the analysis of hydrogen, helium, oxygen and argon in a nitrogen background with the concentrations of the components of interest ranging from 0-5000 part-per-million (ppm). The relative accuracies of the systems vary from < 1% to approx. 40% with an average below 10%. Relative precisions varied from 1% to 20%, with an average below 5%. The detection limits had a large distribution, ranging from 0.2 to 170 ppm. The systems had a diverse response time ranging from 4 s to 210 s as did the recovery time with a 6 s to 210 s distribution. Most instruments had scan times near, 1 s, however one instrument exceeded 13 s. System weights varied from 9 to 52 kg and sizes from 15 x 10(exp 3)cu cm to 110 x 10(exp 3) cu cm.

Arkin, C. Richard↗
DOE OSTI2023

Low-temperature liquid-phase formation of environmentally stable copper halide nanocrystal superlattices and their application to anticounterfeiting patterns

Nanocrystal superlattices have the potential to create a new class of semiconductor materials by combining the photophysical properties of individual nanocrystals with bulk-like structure performance. However, the principles underlying the direct formation of superlattices in liquid phase have not been thoroughly investigated, particularly, those consisting of exciton self-trapping metal halides. Here, in this work, we explore the formation of Cs 3 Cu 2 Br 5 nanocrystal superlattices via liquid-phase crystallization of growing nanocrystals over a reaction period of only a few seconds. Importantly, the reaction temperature and the precursor concentration were found to be key parameters governing the concomitant nanocrystal growth and superlattice formation. The resulting Cs 3 Cu 2 Br 5 superlattices had a well-defined face-centered cubic structure and emitted a single-band bright blue emission when exposed to 280 nm light. Owing to their advantages, such as low toxicity, reabsorption-free, narrow absorption, strong emission, and high environmental stability, the Cs 3 Cu 2 Br 5 superlattices were applicable to anti-counterfeiting applications. Our findings shed light on the liquid-phase assembly of nanocrystals into superlattices and highlight the potential applications of the superlattices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Slow spin dynamics in the hyperhoneycomb lattice [ ( C 2 H 5 ) 3 NH ] 2 Cu 2 ( C 2 O 4 ) 3 revealed by H 1 NMR studies

We report the results of magnetic susceptibility χ and H 1 nuclear magnetic resonance (NMR) measurements on a three-dimensional hyperhoneycomb lattice compound [ ( C 2 H 5 ) 3 NH ] 2 Cu 2 ( C 2 O 4 ) 3 (CCCO). The average value of the antiferromagnetic (AFM) exchange coupling between the Cu 2 + ( S = 1 / 2 ) spins was determined to be J ~ 50 K from the χ measurements. No long-range magnetic ordering has been observed down to T = 50 mK, although NMR lines become slightly broader at low temperatures below 1 K. The broadening of the NMR spectrum observed below 1 K reveals that the Cu spin moments remain at this temperature, suggesting a non-spin-singlet ground state. The temperature and magnetic field dependence of 1 / T 1 at temperatures above 20 K is well explained by paramagnetic thermal spin fluctuations where the fluctuation frequency of Cu 2 + spins is higher than the NMR frequency of the order of megahertz. However, a clear signature of the slowing down of the Cu 2 + spin fluctuations was observed at low temperatures where 1 / T 1 shows a thermally activated behavior. The magnetic field dependence of the magnitude of the spin excitation gap suggests that the magnetic behaviors of CCCO are characterized as an AFM chain at low temperatures.

1-dimensional systems↗
DOE OSTI2020

Materials Data on Cu(Bi4Ir)3 by Materials Project

IrCuBi6(IrBi3)2 crystallizes in the monoclinic Pm space group. The structure is one-dimensional and consists of one IrBi3 ribbon oriented in the (0, 1, 0) direction and one IrCuBi6 ribbon oriented in the (0, 1, 0) direction. In the IrBi3 ribbon, there are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to two equivalent Ir and seven Bi atoms. Both Ir–Ir bond lengths are 2.85 Å. There are a spread of Ir–Bi bond distances ranging from 2.80–2.98 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to two equivalent Ir and seven Bi atoms. There are a spread of Ir–Bi bond distances ranging from 2.78–2.97 Å. There are six inequivalent Bi sites. In the first Bi site, Bi is bonded in a 3-coordinate geometry to three Ir atoms. In the second Bi site, Bi is bonded in a 3-coordinate geometry to three Ir atoms. In the third Bi site, Bi is bonded in a single-bond geometry to one Ir atom. In the fourth Bi site, Bi is bonded in a distorted single-bond geometry to one Ir atom. In the fifth Bi site, Bi is bonded in a 3-coordinate geometry to three Ir atoms. In the sixth Bi site, Bi is bonded in a 3-coordinate geometry to three Ir atoms. In the IrCuBi6 ribbon, Ir is bonded in a 9-coordinate geometry to two equivalent Cu and seven Bi atoms. Both Ir–Cu bond lengths are 2.74 Å. There are a spread of Ir–Bi bond distances ranging from 2.82–2.86 Å. Cu is bonded in a 9-coordinate geometry to two equivalent Ir and seven Bi atoms. There are a spread of Cu–Bi bond distances ranging from 2.81–3.01 Å. There are six inequivalent Bi sites. In the first Bi site, Bi is bonded in a 2-coordinate geometry to two equivalent Ir and one Cu atom. In the second Bi site, Bi is bonded in a 3-coordinate geometry to one Ir and two equivalent Cu atoms. In the third Bi site, Bi is bonded in a single-bond geometry to one Cu atom. In the fourth Bi site, Bi is bonded in a single-bond geometry to one Ir atom. In the fifth Bi site, Bi is bonded in a 3-coordinate geometry to two equivalent Ir and one Cu atom. In the sixth Bi site, Bi is bonded in a 3-coordinate geometry to one Ir and two equivalent Cu atoms.

36 MATERIALS SCIENCE↗
NASA NTRS1989

Electron beam flash evaporation for YBaCuO and BiCaSrCuO thin films

An electron beam flash evaporation technique is described which reproduces the stoichiometry of superconducting YBa(2)Cu(3)O(x) (123), Bi(2)CaSr(2)Cu(2)O(y) (2122), and Bi(2)Ca(2)Sr(2)Cu(3)O(z) (2223) source powders. Films of each material deposited with this technique exhibit zero resistance temperatures of 78 K or above when furnace annealed; 75 K zero temperatures are obtained for 123 films in situ annealed with atomic oxygen at 775 C. Transport critical current densities are 10,000 A/sq cm in 25-micron stripes patterned from 123 films, and 60,000 A/sq cm in 1-mm stripes of 2122 and 2223 films using a 1-microV/mm measurement criteria. Typical normal state resistivities are 700 micro-ohm cm for 2122 and 2223 films and 5 micro-ohm cm for 123 films. The 2122 films are highly textured with the c axis normal to the substrate. All results are for films deposited on MgO.

Davis, Matthew F.↗
DOE OSTI2023

Gapless spinons and a field-induced soliton gap in the hyperhoneycomb Cu oxalate framework compound [(C 2 H 5 ) 3 NH] 2 Cu 2 (C 2 O 4 ) 3

Here, we report a detailed study of the specific heat and magnetic susceptibility of single crystals of a spin-liquid candidate: the hyperhoneycomb Cu oxalate framework compound [(C 2 H 5 ) 3 NH] 2 Cu 2 (C 2 O 4 ) 3 . The specific heat shows no anomaly associated with a magnetic transition at low temperatures down to T ~ 180 mK in zero magnetic field. We observe a large linear-in-T contribution to the specific heat γT, γ = 98 (1) mJ / mol K 2 , at low temperatures, indicative of the presence of fermionic excitations despite the Mott insulating state. The low-T specific heat is strongly suppressed by applied magnetic fields H, which induce an energy gap, Δ(H), in the spin-excitation spectrum. We use the four-component relativistic density-functional theory (DFT) to calculate the magnetic interactions, including the Dzyaloshinskii-Moriya antisymmetric exchange, which causes an effective staggered field acting on one copper sublattice. The magnitude and field dependence of the field-induced gap, Δ (H) ∝ H 2/3 , are accurately predicted by the soliton mass calculated from the sine-Gordon model of weakly coupled antiferromagnetic Heisenberg chains with all parameters determined by our DFT calculations. Thus our experiment and calculations are entirely consistent with a model of [(C 2 H 5 ) 3 NH] 2 Cu 2 (C 2 O 4 ) 3 in which anisotropic magnetic exchange interactions due to Jahn-Teller distortion cause one copper sublattice to dimerize, leaving a second sublattice of weakly coupled antiferromagnetic chains. We also show that this model quantitatively accounts for the measured temperature-dependent magnetic susceptibility. Thus [(C 2 H 5 ) 3 NH] 2 Cu 2 (C 2 O 4 ) 3 is a canonical example of a one-dimensional spin-1/2 Heisenberg antiferromagnet and not a resonating-valence-bond quantum spin liquid, as previously proposed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Electronic structure of the honeycomb iridate Cu 2 ⁢IrO 3 at high pressure

Cu 2 IrO 3 has attracted recent interest due to its proximity to the Kitaev quantum spin liquid state and the complex structural response observed at high pressures. We use x-ray spectroscopy and scattering as well as electrical transport techniques to unveil the electronic structure of Cu 2 IrO 3 at ambient and high pressures. Despite featuring a Ir 4+ J eff = 1/2 state at ambient pressure, Ir L 3 -edge resonant inelastic x-ray scattering reveals broadened electronic excitations that point to the importance of Ir 5d-Cu 3d interaction. High pressure first drives an Ir-Ir dimer state with collapsed < L · S > and < L z >/< S z >, signaling the formation of 5d molecular orbitals. A novel Cu → Ir charge transfer is observed above 30 GPa at low temperatures, leading to an approximate Ir 3+ and Cu 1.5+ valence, with persistent insulating electrical transport seemingly driven by charge segregation of Cu 1+ /Cu 2+ ions into distinct sites. Concomitant x-ray spectroscopy and diffraction measurements through different thermodynamic paths demonstrate a strong electron-lattice coupling, with J eff = 1/2 and Ir 3+ /Cu 1.5+ electronic states occurring only in phases 1 and 5, respectively. Remarkably, the charge-transfer state can only be reached if Cu 2 IrO 3 is pressurized at low temperature, suggesting that phonons play an important role in the inhibiting this phase. Furthermore, these results point to the choice of thermodynamic path across interplanar collapse transition as a key parameter to access novel states in intercalated iridates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗