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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 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Luttinger liquid behavior in the alternating spin-chain system copper nitrate

We determine the phase diagram of copper nitrate Cu(NO 3 ) 2 ∙2.5D 2 O in the context of quantum phase transitions and novel states of matter. We establish this compound as an ideal candidate to study quasi-1D Luttinger liquids, 3D Bose-Einstein-Condensation of triplons, and the crossover between 1D and 3D physics. Magnetocaloric effect, magnetization, and neutron scattering data provide clear evidence for transitions into a Luttinger liquid regime and a 3D long-range ordered phase as a function of field and temperature. Theoretical simulations of this model material allow us to fully establish the phase diagram and to discuss it in the context of dimerized spin systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Shear strain alters the structure and migration mechanism of self-interstitial atoms in copper

Here, we use atomistic modeling to show that externally applied shear strain causes the lowest energy self-interstitial atom (SIA) structure in copper (Cu) to change from a <100>-type dumbbell to a <110>-type dumbbell. Concurrently, SIA migration switches from the 3-D random walk characteristic of <100>-type dumbbells to a 1-D mechanism analogous to that of crowdion SIAs. Furthermore, the relative energies of these two dumbbell structures as a function of strain are well predicted using elastic dipole tensors computed at zero strain, indicating that examination of these tensors may be used to assess the likelihood of strain-induced SIA structure transitions in other materials. Changes in lowest energy SIA structures and associated migration mechanisms stand to impact predictions of SIA behavior in irradiated solids.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Tracking copper nanofiller evolution in polysiloxane during processing into SiOC ceramic

Polymer-derived ceramics (PDCs) remain at the forefront of research for a variety of applications including ultra-high-temperature ceramics, energy storage and functional coatings. Despite their wide use, questions remain about the complex structural transition from polymer to ceramic and how local structure influences the final microstructure and resulting properties. This is further complicated when nanofillers are introduced to tailor structural and functional properties, as nanoparticle surfaces can interact with the matrix and influence the resulting structure. The inclusion of crystalline nanofiller produces a mixed crystalline–amorphous composite, which poses characterization challenges. With this study, we aim to address these challenges with a local-scale structural study that probes changes in a polysiloxane matrix with incorporated copper nanofiller. Composites were processed at three unique temperatures to capture mixing, pyrolysis and initial crystallization stages for the pre-ceramic polymer. We observed the evolution of the nanofiller with electron microscopy and applied synchrotron X-ray diffraction with differential pair distribution function (d-PDF) analysis to monitor changes in the matrix's local structure and interactions with the nanofiller. The application of the d-PDF to PDC materials is novel and informs future studies to understand interfacial interactions between nanofiller and matrix throughout PDC processing.

Chemistry↗
DOE OSTI2017

Determination of copper nanoparticle size distributions with total reflection X-ray fluorescence spectroscopy

Total reflection X-ray fluorescence (TXRF) analysis is extensively used by the semiconductor industry for measuring trace metal contamination on silicon surfaces. In addition to determining the quantity of impurities on a surface, TXRF can reveal information about the vertical distribution of contaminants by measuring the fluorescence signal as a function of the angle of incidence. In this study, two samples were intentionally contaminated with copper in non-deoxygenated and deoxygenated ultrapure water (UPW) resulting in impurity profiles that were either atomically dispersed in a thin film or particle-like, respectively. The concentration profile of the samples immersed into deoxygenated UPW was calculated using a theoretical concentration profile representative of particles, yielding a mean particle height of 16.1 nm. However, the resulting theoretical profile suggested that a distribution of particle heights exists on the surface. The fit of the angular distribution data was further refined by minimizing the residual error of a least-squares fit employing a model with a Gaussian distribution of particle heights about the mean height. The presence of a height distribution was also confirmed with atomic force microscopy measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Rb 2 CaCu 6 (PO 4 ) 4 O 2 , a novel oxophosphate with a shchurovskyite-type topology: synthesis, structure, magnetic properties and crystal chemistry of rubidium copper phosphates

Single crystals of Rb 2 CaCu 6 (PO 4 ) 4 O 2 were synthesized by a hydrothermal method in the multicomponent system CuCl 2 –Ca(OH) 2 –RbCl–B 2 O 3 –Rb 3 PO 4 . The synthesis was carried out in the temperature range from 690 to 700 K and at the general pressure of 480–500 atm [1 atm = 101.325 kPa] from the mixture in the molar ratio 2CuO:CaO:Rb 2 O:B 2 O 3 :P 2 O 5 . The crystals studied by single-crystal X-ray analysis were found to be monoclinic, space group C 2, a = 16.8913 (4), b = 5.6406 (1), c = 8.3591 (3) Å, β = 93.919 (3)°, V = 794.57 (4) Å 3 . The crystal structure of Rb 2 CaCu 6 (PO 4 ) 4 O 2 is similar to that of shchurovskyite and dmisokolovite and is based upon a heteropolyhedral open framework formed by polar layers of copper polyhedra linked via isolated PO 4 tetrahedra. The presence of well-isolated 2D heteropolyhedral layers in the title compound suggests low-dimensional magnetic behavior which is masked, however, by the fierce competition between multiple ferromagnetic and antiferromagnetic exchange interactions. At T C = 25 K, Rb 2 CaCu 6 (PO 4 ) 4 O 2 reaches a magnetically ordered state with large residual magnetization.

Chemistry↗
DOE OSTI2024

Thermomechanical Degradation of Sintered Copper Under High-Temperature Thermal Shock

The need for reliable bonded interface materials is critical to realize the performance benefits of wide-bandgap devices in power electronics modules, especially in operating temperatures greater than 150 degrees C. In this paper, we investigate the thermomechanical performance of sintered copper (Cu) as a large-area attachment, bonded between Cu baseplates and active-metal-bonded substrates, under accelerated thermal shock (-40 degrees C to 200 degrees C) conditions. In the fabrication phase of the samples, we used different stencil patterns and found that the grid and stripe patterns resulted in a better outgassing of the residual organics during the sintering process, thereby ensuring a substantially improved bond quality compared to a full-area print. The paste consisted of Cu microflakes, and we performed sintering using a Budatec SP300 sintering press at 275 degrees C with 15 MPa of bonding pressure for 5 minutes in a nitrogen atmosphere. Under accelerated experiments, we monitored the degradation of the sintered Cu bond in the samples through C-mode scanning acoustic microscope (C-SAM) images. To quantify the defect percentage in C-SAM images, we investigated image denoising techniques to exclude the pattern prints. Finally, we cross-sectioned a sample and obtained scanning electron microscope images, which revealed adhesive fracture as the dominant failure mechanism.

ADVANCED PROPULSION SYSTEMS,INORGANIC, ORGANIC, PH↗
DOE OSTI2022

Identifying the microstructural features associated with void nucleation during elevated–temperature deformation of copper

The microstructural-scale mechanisms that produce cracks in metals during deformation at elevated temperatures are relevant to applications that involve thermal exposure. Prior studies of cavitation during high-temperature deformation, for example, creep, suffered from an inability to directly observe the microstructural evolution that occurs during deformation and leads to void nucleation. Here the current study takes advantage of modern high-speed electron backscatter diffraction (EBSD) detectors to observe cavitation in oxygen-free, high-conductivity copper in situ during deformation at 300°C. Most voids formed at the triple junction between a twin boundary and a high-angle grain boundary (HAGB). This finding does not contradict previous studies that suggested that twins are resistant to cracking—it reveals that cracks in HAGBs originate at twin/HAGB triple junctions and that cracks preferentially grow along HAGBs rather than the accompanying twins. Atomistic simulations explored the origins of this observation and suggest that twin/HAGB triple junctions are microstructural weak points.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Joining of SiC Fiber-Bonded Ceramics using Silver, Copper, Nickel, Palladium, and Silicon-Based Alloy Interlayers

SiC fiber-bonded ceramics, SA-Tyrannohex, (SA-THX) with perpendicular and parallel fiber orientations were brazed using Ag-, Ni- and Pd-base brazes, and four Si X (X: Ti, Cr, Y, Ta) eutectics. Outcomes were variable, ranging from bonded joints through partially bonded to un-bonded joints. Prominent Ti- and Si-rich interfaces developed with Cusil-ABA, Ticusil, and Copper-ABA and Ni- and Si-rich layers with MBF-20. Stress rupture tests at 650 and 750 C on Cusil-ABA-bonded joints revealed a temperature-dependent behavior for the perpendicular joints but not for the parallel joints with failure occurring at brazed interface. Higher-use temperatures can be targeted with eutectic Si Ti and Si Cr alloys.

brazing↗
DOE OSTI2016

All Solution‐Based Fabrication of Copper Oxide Thin Film/Cobalt‐Doped Zinc Oxide Nanowire Heterojunctions

Versatile and intriguing solution‐based processes are utilized to synthesize nanostructured materials for device applications to reduce material production and device fabrication costs. This study presents results on the fabrication and characterization of copper oxide (CuO) coated cobalt‐doped zinc oxide nanowires (Co‐doped ZnO NW s)‐based heterojunction diodes prepared by a two‐step synthesis route through combined hydrothermal growth and sol–gel spin coating. Highly dense, well‐ordered, undoped, and Co‐doped ZnO NW s were successfully grown by hydrothermal method. Complementary CuO thin films were synthesized by sol–gel method and subsequently coated onto both undoped and Co‐doped ZnO NW s through spin‐coating technique. Enhanced diode properties with a rectification ratio of 10 3 at ±2 V and an ideality factor of n = 2.4 (in dark) were obtained for Co‐doped ZnO NW s‐based heterojunction diodes. The obtained results demonstrated that the investigated heterojunction diode structure fabricated by facile and cost‐effective solution‐based processes can be a promising candidate for the next generation optoelectronic devices.

Aksoy Akgul, Funda↗
DOE OSTI2012

Thin air-plasma-treated alkali fluoride layers for improved hole extraction in copper phthalocyanine/C70-based solar cells

Alkali fluorides, mostly LiF and CsF, are well-known to improve electron injection/extraction in organic light-emitting diodes (OLEDs) and organic solar cells (OSCs). They are also utilized, though to a lesser extent, for hole injection in OLEDs. Here we demonstrate a new role for such fluorides in enhancing OSCs’ hole extraction.We show that an ultrathin air-plasmatreated alkali fluoride layer between the indium tin oxide (ITO) anode and the active layer in copper phthalocyanine (CuPc)/C 70 -based OSCs increases the short circuit current by up to ~17% for cells with LiF and ~7% for cells with NaF or CsF. The effects of the fluoride layer thickness and treatment duration were evaluated, as were OSCs with oxidized and plasma-treated Li and UV-ozone treated LiF. Measurements included current voltage, absorption, external quantum efficiency (EQE), atomic force microscopy, and x-ray photoelectron spectroscopy, which showed the presence of alkali atoms F and O at the treated ITO/fluoride surface. The EQE of optimized devices with LiF increased at wavelengths >560 nm, exceeding the absorption increase. Overall, the results indicate that the improved performance is due largely to enhanced hole extraction, possibly related to improved energy-level alignment at the fluorinated ITO/CuPc interface, reduced OSC series resistance, and in the case of LiF, improved absorption.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Spontaneous self-intercalation of copper atoms into transition metal dichalcogenides

Intercalated transition metal dichalcogenides (TMDs) have attracted substantial interest due to their exciting electronic properties. Here, we report a unique approach where copper (Cu) atoms from bulk Cu solid intercalate spontaneously into van der Waals (vdW) gaps of group IV and V layered TMDs at room temperature and atmospheric pressure. This distinctive phenomenon is used to develop a strategy to synthesize Cu species–intercalated layered TMD compounds. A series of Cu-intercalated 2H-NbS 2 compounds were obtained with homogeneous distribution of Cu intercalates in the form of monovalent Cu (I), occupying the tetrahedral sites coordinated by S atoms within the interlayer space of NbS 2 . The Fermi level of NbS 2 shifts up because of the intercalation of Cu, resulting in the improvement of electrical conductivity in the z-direction. On the other hand, intercalation of Cu into vdW gaps of NbS 2 systematically suppresses the superconducting transition temperature (T c ) and superconducting volume fraction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Uncovering the transmembrane metal binding site of the novel bacterial major facilitator superfamily-type copper importer CcoA

In this study, uptake and trafficking of metals and their delivery to their respective metalloproteins are important processes. Cells need precise control of each step to avoid exposure to excessive metal concentrations and their harmful consequences. Copper (Cu) is a required micronutrient used as a cofactor in proteins. However, in large amounts, it can induce oxidative damage; hence, Cu homeostasis is indispensable for cell survival. Biogenesis of respiratory heme-Cu oxygen (HCO) reductases includes insertion of Cu into their catalytic subunits to form heme-Cu binuclear centers. Previously, we had shown that CcoA is a major facilitator superfamily (MFS)-type bacterial Cu importer required for biogenesis of cbb 3 -type cytochrome c oxidase ( cbb 3 -Cox). Here, using Rhodobacter capsulatus , we focused on the import and delivery of Cu to cbb 3 -Cox. By comparing the CcoA amino acid sequence with its homologues from other bacterial species, we located several well-conserved Met, His, and Tyr residues that might be important for Cu transport. We determined the topology of the transmembrane helices that carry these residues to establish that they are membrane embedded, and substituted for them amino acids that do not ligand metal atoms. Characterization of these mutants for their uptake of radioactive 64 Cu and cbb 3 -Cox activities demonstrated that Met233 and His261 of CcoA are essential and Met237 and Met265 are important, whereas Tyr230 has no role for Cu uptake or cbb 3 -Cox biogenesis. These findings show for the first time that CcoA-mediated Cu import relies on conserved Met and His residues that could act as metal ligands at the membrane-embedded Cu binding domain of this transporter.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2013

Electrochemical Deposition of Niobium onto the Surface of Copper Using a Novel Choline Chloride-Based Ionic Liquid

Recent research has shown that choline chloride-based solutions can be used to replace acid-based electrochemical polishing solutions. In this study niobium metal was successfully deposited on the surface of copper substrate via electrochemical deposition using a novel choline chloride-based ionic liquid. The niobium metal used for deposition on the Cu had been dissolved in the solution from electrochemical polishing of a solid niobium piece prior to the deposition. The visible coating on the surface of the Cu was analyzed using scanning electron microscopy (SEM) and electron dispersive x-ray spectroscopy (EDX). This deposition method effectively recycles previously dissolved niobium from electrochemical polishing.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Palladium Coated Copper Nanowires as a Hydrogen Oxidation Electrocatalyst in Base

The palladium (Pd) nanotubes we synthesized by the spontaneous galvanic displacement of copper (Cu) nanowires, are forming extended surface nanostructures highly active for the hydrogen oxidation reaction (HOR) in base. The synthesized catalysts produce specific activities in rotating disk electrode half-cells 20 times greater than Pd nanoparticles and about 80% higher than polycrystalline Pd. Although the surface area of the Pd nanotubes was low compared to conventional catalysts, partial galvanic displacement thrifted the noble metal layer and increased the Pd surface area. Moreover, the use of Pd coated Cu nanowires resulted in a HOR mass exchange current density 7 times greater than the Pd nanoparticles. The activity of the Pd coated Cu nanowires further nears Pt/C, producing 95% of the mass activity.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2018

Cobalt-copper-nickel Supply Chains Model

This model links global demand and supply of three intertwined materials cobalt (Co), copper (Cu) and nickel (Ni) in a simulation market model with explicit consideration of electric vehicle (EV) and battery scenarios. By incorporating feedback between supply, demand, prices and capacity expansion, we quantify realistic production scenarios for both primary (mining) and secondary sources (recycling). Furthermore, to understand the magnitude of material (battery) demand from the in-use EV stock, we also consider demand to replace end-of-life (EOL) batteries. We seek to answer the following questions: 1) How will production from both primary and secondary sources react to various EV deployment scenarios and battery-chemistry combinations? 2) How much supply might promising/potential new (mining) projects contribute to supply? 3) What is the impact of reducing battery lifetime? 4) If recycling rates are increased for all 3 materials, what are the implications for Co production?

Nguyen, Thuy↗
DOE OSTI2015

Guided design of copper oxysulfide superconductors

We describe a framework for designing novel materials, combining modern first-principles electronic-structure tools, materials databases, and evolutionary algorithms capable of exploring large configurational spaces. Guided by the chemical principles introduced by Antipov et al., for the design and synthesis of the Hg-based high-temperature superconductors, we apply our framework to screen 333 proposed compositions to design a new layered copper oxysulfide, Hg(CaS)2CuO2. We evaluate the prospects of superconductivity in this oxysulfide using theories based on charge-transfer energies, orbital distillation and uniaxial strain.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Tritium migration to the surfaces of Type 316 stainless steel; aluminum 6061; and oxygen-free, high-conductivity copper

The migration of tritium to the surfaces of aluminum 6061, oxygen-free, high-conductivity copper (OFHC), and stainless-steel 316 from the bulk metal was studied using low-pressure Tonks–Langmuir argon plasma. The plasma is shown to be effective at removing tritium from metal surfaces in a controlled manner. Tritium is removed in decreasing quantities with successive plasma exposures, which suggests a depletion of the surface and near-surface tritium inventories. A diffusion model was developed to predict tritium migration from the bulk and its accumulation in the water layers present on the metal surface. The model reproduces the rate of tritium re-growth on the surface for all three metals and can be used to calculate the triton solubility in the water layers present on metal surfaces. The ratio of surface-to-bulk solubilities at the water-layer/bulk-metal interface uniquely determines the concentration ratio between these two media. Removing the tritium-rich water layers induces tritium to migrate from the bulk to the surface. Furthermore, this process is driven by a concentration gradient that develops in the bulk because of the perturbation on the surface.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Prompt Neutron Decay Constant Measurements on a Copper Reflected Intermediate Enrichment Uranium System with Lead Intersitial

This work examines a set of prompt neutron decay constant measurements performed on the Zeus critical experiment. The Zeus experiment was designed to measure the lead void reactivity coefficient associated with an intermediate enrichment uranium system. The initial goal was to perform the measurements on a low enriched uranium system, but weight limitations on the Comet critical assembly only allowed for a system with 21%-22% effective uranium enrichment to be built. The Zeus critical experiment was performed on the Comet critical assembly machine located at the National Criticality Experiments Research Center (NCERC). The Comet critical assembly machine is a vertical lift assembly capable of supporting general large size critical experiments. This critical experiment consists of a copper reflector set most notably used in other configurations of the Zeus experiment series. The fuel used during the Zeus experiments consists of cylindrical highly enriched uranium (HEU) plates with a nominal 1/8-in. (0.318-cm) thickness. These plates were collocated with natural uranium plates to reduce the effective enrichment of the system to 21%-22%. Lead plates are interleaved between each fuel set.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗