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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 1,387 records · Page 77
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Spatial dependence of the super-exchange interactions for transition-metal trimers in graphene

This study examines the magnetic interactions between spatially variable manganese and chromium trimers substituted into a graphene superlattice. Using density functional theory, we calculate the electronic band structure and magnetic populations for the determination of the electronic and magnetic properties of the system. To explore the super-exchange coupling between the transition-metal atoms, we establish the magnetic ground states through a comparison of multiple magnetic and spatial configurations. Through an analysis of the electronic and magnetic properties, we conclude that the presence of transition-metal atoms can induce a distinct magnetic moment in the surrounding carbon atoms as well as produce a Ruderman-Kittel-Kasuya-Yosida-like super-exchange coupling. It is hoped that these simulations can lead to the realization of spintronic applications in graphene through electronic control of the magnetic clusters.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Magnetite nanoparticle anchored graphene cathode enhances microbial electrosynthesis of polyhydroxybutyrate by Rhodopseudomonas palustris TIE-1

Microbial electrosynthesis (MES) is an emerging technology that can convert carbon dioxide (CO 2 ) into value-added organic carbon compounds using electrons supplied from a cathode. However, MES is affected by low product formation due to limited extracellular electron uptake by microbes. Herein, a novel cathode was developed from chemically synthesized magnetite nanoparticles and reduced graphene oxide nanocomposite (rGO-MNPs). This nanocomposite was electrochemically deposited on carbon felt (CF/rGO-MNPs), and the modified material was used as a cathode for MES production. The bioplastic, polyhydroxybutyrate (PHB) produced by Rhodopseudomonas palustris TIE-1 (TIE-1), was measured from reactors with modified and unmodified cathodes. Results demonstrate that the magnetite nanoparticle anchored graphene cathode (CF/rGO-MNPs) exhibited higher PHB production (91.31 ± 0.9 mg l -1 ). This is ~4.2 times higher than unmodified carbon felt (CF), and 20 times higher than previously reported using graphite. This modified cathode enhanced electron uptake to -11.7 ± 0.1 μ A cm -2 , ~5 times higher than CF cathode (-2.3 ± 0.08 μ A cm -2 ). The faradaic efficiency of the modified cathode was ~2 times higher than the unmodified cathode. Electrochemical analysis and scanning electron microscopy suggest that rGO-MNPs facilitated electron uptake and improved PHB production by TIE-1. Overall, the nanocomposite (rGO-MNPs) cathode modification enhances MES efficiency.

Materials Science↗
DOE OSTI2018

Erratum: Polarization transfer observables in elastic electron-proton scattering at Q 2 =2.5 , 5.2, 6.8, and 8.5GeV 2 [Phys. Rev. C 96 , 055203 (2017)]

Subsequent to the release of our original paper, we discovered in the context of preparing our technical supplement [1] for journal publication that a typographical error had existed in the text file that the analysis program used to construct the beam polarization "database" for both the original analysis, published in Ref. [2], and our final analysis. The electron-beam polarization P e and the analyzing power A y cancel exactly in the ratio R, which is proportional to the ratio P t / P l of the transferred polarization components. On the other hand, the extraction of the relative e dependence of P l / P Born l relies on knowledge of the beam polarization. As such, data taking was interrupted roughly every two days during the GEp - 2γ experiment to perform invasive measurements of the beam polarization using the Hall C Moller polarimeter [3].

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1984

Electron-cyclotron maser radiation from a relativistic loss-cone distribution

A relativistic analysis of the electron-cyclotron maser instability in a loss-cone distribution is presented, extending the treatment of Lau and Chu (1983) to include the effects of finite k-perpendicular (as encountered in laboratory tandem-mirror devices with mean energies in excess of 50 keV). The results are presented in graphs, and it is found that the k-perpendicular effects are significant, so that emission perpendicular to the magnetic field is associated with most rapid growth of the instability. The persistence of the instability when the ratio of the plasma frequency to the electron-cyclotron frequency is less than 0.1 is demonstrated, and the factors which need to be accounted for in applying the results to actual mirror devices are indicated.

Pritchett, P. L.↗
NASA NTRS2022

EMIC-Wave Driven Electron Precipitation Observed by CALET on the International Space Station

We present an analysis of the relativistic electron precipitation (REP) event measured by the CALorimetric Electron Telescope (CALET) experiment on board the International Space Station during a relatively weak geomagnetic storm on 31 December 2016. CALET observations were compared with the measurements of the Van Allen Probes in the near-equatorial plane to investigate the global radiation belt dynamics and the REP drivers. The magnetically conjugate observations from these two missions demonstrate that the significant MeV precipitation directly detected by CALET in low-Earth orbit during a period of radiation belt depletion following the passage of a high-speed stream, was associated with dusk-side electromagnetic ion cyclotron (EMIC) waves. In addition, the combined wave, REP and trapped electron data suggest that the reported radiation belt depletion can be likely ascribed to the concomitant loss effects of EMIC wave scattering driving the atmospheric precipitation, as well as outward radial diffusion associated with magnetopause shadowing.

Radiation belts↗
DOE OSTI2016

Cementitious Grouts for ILW Encapsulation - Hydration and Continuity of Supply within the UK - 16184

In the UK the preferred route to disposal for the majority of intermediate level nuclear waste (ILW) streams is encapsulation within a cementitious matrix, accounting for 83% of waste conditioned to date (NDA, 2013). The method is well-defined and produces a waste package that is both chemically and physically stable, providing a multi-layered barrier to the release of the waste species contained within. Due to the process of treatment, facilitated via remote operation, it is necessary for the grouting matrices to meet strict performance limits in terms of their flow, setting time and avoidance of the formation of bleed water or segregation. To this end, the limits on composition of the anhydrous materials (a mixture of ordinary Portland cement [OPC] and blast furnace slag [BFS]) are tight to ensure conformity. Whilst these limits on composition are well understood, their impact upon grout hydration, and hence performance, is poorly defined. This study investigates the effects of modifying the physical and chemical composition of both the OPC and the BFS components of the matrix in order to identify the sensitivity or otherwise of the system to ensure that a continuity of supply is maintained. A number of techniques, scanning electron microscopy - image analysis (SEM-IA), chemical shrinkage (measured via dilatometry), isothermal conduction calorimetry (ICC), thermogravimetric analysis (TGA) and X-ray diffraction (XRD), have been applied to assess the rate and degree of hydration (DoH) of a range of grouts prepared with OPC and BFS with a range of chemical and physical compositions. This has been coupled with subsequent engineering performance testing, with additional analysis to understand the impact of a fire scenario within a storage or disposal facility, to provide an indication towards the resilience of the waste packages to a potential catastrophic event. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Cation-Driven Assembly of Bilayered Vanadium Oxide and Graphene Oxide Nanoflakes to Form Two-Dimensional Heterostructure Electrodes for Li-Ion Batteries

Lithium preintercalated bilayered vanadium oxide (LVO or δ-Li x V 2 O 5 ·nH 2 O) and graphene oxide (GO) nanoflakes were assembled using a concentrated lithium chloride solution and annealed under vacuum at 200 °C to form two-dimensional (2D) δ-Li x V 2 O 5 ·nH 2 O and reduced GO (rGO) heterostructures. Here we found that the Li + ions from LiCl enhanced the oxide/carbon heterointerface formation and served as stabilizing ions to improve structural and electrochemical stability. The graphitic content of the heterostructure could be easily controlled by changing the initial GO concentration prior to assembly. We found that increasing the GO content in our heterostructure composition helped inhibit the electrochemical degradation of LVO during cycling and improved the rate capability of the heterostructure. A combination of scanning electron microscopy and X-ray diffraction was used to help confirm that a 2D heterointerface formed between LVO and GO, and the final phase composition was determined using energy-dispersive X-ray spectroscopy and thermogravimetric analysis. Scanning transmission electron microscopy and electron energy-loss spectroscopy were additionally used to examine the heterostructures at high resolution, mapping the orientations of rGO and LVO layers and locally imaging their interlayer spacings. Further, electrochemical cycling of the cation-assembled LVO/rGO heterostructures in Li-ion cells with a non-aqueous electrolyte revealed that increasing the rGO content led to improved cycling stability and rate performance, despite slightly decreased charge storage capacity. The heterostructures with 0, 10, 20, and 35 wt % rGO exhibited capacities of 237, 216, 174, and 150 mAh g –1 , respectively. Moreover, the LVO/rGO-35 wt % and LVO/rGO-20 wt % heterostructures retained 75% (110 mAh g–1) and 67% (120 mAh g –1 ) of their initial capacities after increasing the specific current from 20 to 200 mA g –1 , while the LVO/rGO-10 wt % sample retained only 48% (107 mAh g –1 ) of its initial capacity under the same cycling conditions. In addition, the cation-assembled LVO/rGO electrodes exhibited enhanced electrochemical stability compared to electrodes prepared through physical mixing of LVO and GO nanoflakes in the same ratios as the heterostructure electrodes, further revealing the stabilizing effect of a 2D heterointerface. The cation-driven assembly approach, explored in this work using Li + cations, was found to induce and stabilize the formation of stacked 2D layers of rGO and exfoliated LVO. The reported assembly methodology can be applied for a variety of systems utilizing 2D materials with complementary properties for applications as electrodes in energy storage devices.

25 ENERGY STORAGE↗
DOE OSTI2021

Stability of superthermal strahl electrons in the solar wind

We present a kinetic stability analysis of the solar wind electron distribution function consisting of the Maxwellian core and the magnetic-field aligned strahl, a superthermal electron beam propagating away from the sun. We use an electron strahl distribution function obtained as a solution of a weakly collisional drift-kinetic equation, representative of a strahl affected by Coulomb collisions but unadulterated by possible broadening from turbulence. This distribution function is essentially non-Maxwellian and varies with the heliospheric distance. The stability analysis is performed with the Vlasov–Maxwell linear solver leopard. We find that depending on the heliospheric distance, the core-strahl electron distribution becomes unstable with respect to sunward-propagating kinetic-Alfvén, magnetosonic, and whistler modes, in a broad range of propagation angles. The wavenumbers of the unstable modes are close to the ion inertial scales, and the radial distances at which the instabilities first appear are on the order of 1 au. However, we have not detected any instabilities driven by resonant wave interactions with the superthermal strahl electrons. Instead, the observed instabilities are triggered by a relative drift between the electron and ion cores necessary to maintain zero electric current in the solar wind frame (ion frame). Contrary to strahl distributions modelled by shifted Maxwellians, the electron strahl obtained as a solution of the kinetic equation is stable. Our results are consistent with the previous studies based on a more restricted solution for the electron strahl.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Effects of MCC Content on the Structure and Performance of PLA/MCC Biocomposites

Green composites of polylactic acid (PLA) with microcrystalline cellulose (MCC) as reinforcement of the polymer matrix were produced by melt blending to improve the brittleness of PLA. The MCC was prepared by hydrolysis of wheat straw cellulose with sulfuric acid to remove amorphous area. The biocomposites were prepared with different MCC contents (2, 4, 6, 8 wt%). Scanning electron microscopy, thermogravimetric analysis, X-ray diffraction, differential scanning calorimetry, Fourier transform infrared and mechanical testing were used to study the structure and properties of MCC and biocomposites. The tensile modulus and the strength of PLA/MCC biocomposites increased from 206 to 262 MPa and from 67.35 to 73.01 MPa, respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Electronic and magnetic properties of the RuX3 (X = Cl, Br, I) family: two siblings—and a cousin?

Abstract Motivated by reports of metallic behavior in the recently synthesized RuI 3 , in contrast to the Mott-insulating nature of the actively discussed α -RuCl 3 , as well as RuBr 3 , we present a detailed comparative analysis of the electronic and magnetic properties of this family of trihalides. Using a combination of first-principles calculations and effective-model considerations, we conclude that RuI 3 , similarly to the other two members, is most probably on the verge of a Mott insulator, but with much smaller magnetic moments and strong magnetic frustration. We predict the ideal pristine crystal of RuI 3 to have a nearly vanishing conventional nearest-neighbor Heisenberg interaction and to be a quantum spin liquid candidate of a possibly different kind than the Kitaev spin liquid. In order to understand the apparent contradiction to the reported resistivity ρ , we analyze the experimental evidence for all three compounds and propose a scenario for the observed metallicity in existing samples of RuI 3 . Furthermore, for the Mott insulator RuBr 3, we obtain a magnetic Hamiltonian of a similar form to that in the much-discussed α -RuCl 3 and show that this Hamiltonian is in agreement with experimental evidence in RuBr 3 .

36 MATERIALS SCIENCE↗
DOE OSTI2015

Microwave assisted combustion synthesis of nanocrystalline CoFe{sub 2}O{sub 4} for LPG sensing

A microwave-assisted citrate precursor method has been utilized for synthesis of nanocrystalline powders of CoFe{sub 2}O{sub 4}. The process takes only a few minutes to obtain as-synthesized CoFe{sub 2}O{sub 4}. Structural properties of the synthesized material were investigated by X-ray diffraction; scanning electron microscopy, Thermogravimetric analysis (TGA) and Fourier transform infrared spectroscopy. The gas sensing properties of thick film of CoFe{sub 2}O{sub 4} prepared by screen printing towards Liquid Petroleum Gas (LPG) revealed that CoFe{sub 2}O{sub 4} thick films are sensitive and shows maximum sensitivity at 350°C for 2500 ppm of LPG.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Organic pollutant photodecomposition by Ag/KNbO 3 nanocomposites: A combined experimental and theoretical study

In this study, Ag nanoparticles supported on well-defined perovskite orthorhombic KNbO 3 nanowires are synthesized via facile photoreduction and systematically characterized by XRD, Raman, DRUV–vis, XPS, PL, TEM, HRTEM, and HAADF-STEM. The photoreactivity of Ag/KNbO 3 nanocomposites as a function of Ag contents (0.4–2.8 wt %) is assessed toward aqueous rhodamine B degradation under UV- and visible-light, respectively. It is found that the UV-induced photoreactivity initially increases and then decreases with increasing Ag contents. At an optimal Ag content (ca. 1.7 wt %), the greatest photoreactivity is achieved under UV light, with the photocatalytic reaction rate of 1.7 wt % Ag/KNbO 3 exceeding that of pristine KNbO 3 by a factor of ca. 13. In contrast, visible light-induced photoreactivity monotonically increases with increasing Ag contents in the range of 0.4–2.8 wt %. On the basis of the detected active species and intermediate products in the photocatalytic processes, conjugated structure cleavage and N-deethylation are revealed to be the respective predominant pathway under UV and visible-light illumination. To gain an insight into the observed photoreactivity, the electronic properties of Ag/KNbO 3 have been investigated using spin-polarized DFT calculations. Herein, Ag extended adlayers (1–4 ML) on the slab models of KNbO 3 (101) are employed to mimic large supported Ag nanoparticles. A Bader analysis of the electron density shows a small net charge transfer (ca. 0.1 e) from KNbO 3 to Ag. The electron localization function of Ag/KNbO 3 (101) illustrates that Ag adlayers with thickness larger than 2 ML are essentially metallic, and weak polarization occurs at the interface. In addition, the metallic Ag adlayers generate a continuum of Ag bandgap states, which play a key role in determining different Ag content-dependent behavior between UV and visible-light illumination.

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

Magnetic resonance force microscopy with matching frequencies of cantilever and spin

We have studied theoretically magnetic resonance force microscopy with a high-frequency nanomechanical cantilever when the cantilever frequency matches the resonant frequency of a single electron spin. Our analysis shows that in this situation, there is a small probability that the cantilever will oscillate with a large frequency shift. In conclusion, this can open new experimental opportunities for increasing the sensitivity in the detection of a single electron spin or even a single nuclear spin by using a high-frequency cantilever.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Near real-time streaming analysis of big fusion data

Experiments on fusion plasmas produce high-dimensional data time series with ever-increasing magnitude and velocity, but turn-around times for analysis of this data have not kept up. For example, many data analysis tasks are often performed in a manual, ad-hoc manner some time after an experiment. In this article, we introduce the Delta framework that facilitates near real-time streaming analysis of big and fast fusion data. By streaming measurement data from fusion experiments to a high-performance compute center, Delta allows computationally expensive data analysis tasks to be performed in between plasma pulses. This article describes the modular and expandable software architecture of Delta and presents performance benchmarks of individual components as well as of an example workflow. Focusing on a streaming analysis workflow where electron cyclotron emission imaging (ECEi) data is measured at KSTAR on the National Energy Research Scientific Computing Center's (NERSC's) supercomputer we routinely observe data transfer rates of about 4 Gigabit per second. In NERSC, a demanding turbulence analysis workflow effectively utilizes multiple nodes and graphical processing units and executes them in under 5 min. We further discuss how Delta uses modern database systems and container orchestration services to provide web-based real-time data visualization. For the case of ECEi data we demonstrate how data visualizations can be augmented with outputs from machine learning models. Here, by providing session leaders and physics operators, results of higher-order data analysis using live visualizations may make more informed decisions on how to configure the machine for the next shot.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1977

Determination of minority-carrier lifetime and surface recombination velocity with high spacial resolution

Quantitative analysis of the electron beam induced current in conjunction with high-resolution scanning makes it possible to evaluate the minority-carrier lifetime three dimensionally in the bulk and the surface recombination velocity two dimensionally, with a high spacial resolution. The analysis is based on the concept of the effective excitation strength of the carriers which takes into consideration all possible recombination sources. Two-dimensional mapping of the surface recombination velocity of phosphorus-diffused silicon diodes is presented as well as a three-dimensional mapping of the changes in the minority-carrier lifetime in ion-implanted silicon.

Watanabe, M.↗
DOE OSTI2019

Toward Greener Polymeric Blends: Study of PBAT/Thermoplastic Whey Protein Isolate/Beeswax Blends

This work evaluated the effects of partial substitution of PBAT by thermoplastic whey protein isolate (WPIT) with addition of beeswax through blends processing and their morphological, mechanical, structural, thermal and rheological properties. Whey protein isolate (WPI) was denatured at 90 °C, using glycerol as plasticizer, to be transformed in a thermoplastic material and subsequently blended with PBAT using a torque rheometer at 130 °C. Addition of 10 and 30% of WPIT in the PBAT matrix was investigated with and without beeswax. Blends were pressed as films with ~ 320 µm of thickness. Scanning electron microscopy (SEM) analysis of PBAT/WPIT blends films revealed the presence of domains. These domains are compounded of whey protein, while at the continuous phase a moderate degree of mixture between PBAT and WPIT was observed by Raman analyses. WPIT did not alter the degree of crystallinity and the glass-transition temperature (T{sub g}) of the PBAT in the blends. Thermogravimetric curves of the blends showed decomposition stages related to WPIT and PBAT phases. Thermal stability of blends decreased in comparison to WPIT, which was associated to the cleavage of disulfide bonds of WPIT during processing and causes other kind of interaction between components. Besides, blends containing WPIT remained non-rigid polymers with Young’s modulus below 70 MPa. The tensile strength and elongation at break decreased due the presence of WPIT. Beeswax did not influence the thermal and mechanical properties explored in this study.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Electron and photon structure functions at two loops

We present a fully analytic computation of the complete electron and photon structure functions, or QED lepton parton distribution functions (PDFs) up to two-loop order. Our computation is performed using modern techniques of reduction to Master Integrals and solving them with the differential equation method. We obtain explicit expressions for the electron-in-electron, positron-in-electron, photon-in-electron, electron-in-photon, and photon-in-photon distributions at next-to-next-to-leading order (NNLO). Cross-checks against one-loop results, existing two-loop calculations, and a recent soft-collinear effective theory (SCET) analysis of the electron structure functions are presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

CO 2 electro-reduction on Cu 3 P: Role of Cu(I) oxidation state and surface facet structure in C 1 -formate production and H 2 selectivity

We report the catalytic activity and mechanism of copper(I) phosphide, Cu 3 P, with predominant [00Ι] facet exposure for the electrochemical reduction of CO 2 (CO 2 RR) to formic acid. Crystalline nanosheets of this compound that show a preferential [00Ι] facet orientation exhibit undiminished CO 2 RR activity after 16 hours with full retention of crystal structure and surface chemical speciation and no detectable corrosion. In contrast to the range of products formed on Cu metal, CuO, and Cu 2 O, the CO 2 RR on Cu 3 P [00Ι] produces mainly hydrogen and formate as the sole carbon product in KHCO 3 electrolyte. Analysis of the Cu 3 P [00Ι] facet by HAADF-STEM was used to determine the surface lattice structure, while both XPS and Auger spectroscopies were used to determine the surface chemical speciation from the kinetic energies of ionized electrons. The presented analysis identifies isolated trigonal CuP 3 sites on the Cu 3 P[00Ι]-Cu 3 P 3 terminated surface and the Cu(I) oxidation state as precursor to the active catalyst. The CO 2 RR selectivity to formate and the higher turnover rate for H 2 production on the [00Ι] facet allows a structure-activity analysis and chemical mechanism to be proposed. Formation of a surface hydride at isolated *H-CuP 3 sites is proposed as the catalytic site in forming both H 2 and formate, while the long Cu—Cu separation retards forming C-C coupling products. In conclusion, these results disprove previously published claims of Cu(I) oxidation state as a sufficient criterion to promote CO 2 RR to C 2+ products, show that stronger bonded hydrides, *H-CuP 3 on Cu 3 P, favor production of the C1 product formate over all other carbon products, and predict that stronger formate binding (bidentate) is needed for CO 2 RR currents to compete with H 2 production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗