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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 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Imaging Phase Segregation in Nanoscale Li x CoO 2 Single Particles

Li x CoO 2 (LCO) is a common battery cathode material that has recently emerged as a promising material for other applications including electrocatalysis and as electrochemical random access memory (ECRAM). During charge– discharge cycling LCO exhibits phase transformations that are significantly complicated by electron correlation. While the bulk phase diagram for an ensemble of battery particles has been studied extensively, it remains unclear how these phases scale to nanometer dimensions and the effects of strain and diffusional anisotropy at the single-particle scale. Understanding these effects is critical to modeling battery performance and for predicting the scalability and performance of electrocatalysts and ECRAM. Here we investigate isolated, epitaxial LiCoO 2 islands grown by pulsed laser deposition. After electrochemical cycling of the islands, conductive atomic force microscopy (c-AFM) is used to image the spatial distribution of conductive and insulating phases. Above 20 nm island thicknesses, we observe a kinetically arrested state in which the phase boundary is perpendicular to the Li-planes; we propose a model and present image analysis results that show smaller LCO islands have a higher conductive fraction than larger area islands, and the overall conductive fraction is consistent with the lithiation state. Thinner islands (14 nm), with a larger surface to volume ratio, are found to exhibit a striping pattern, which suggests surface energy can dominate below a critical dimension. When increasing force is applied through the AFM tip to strain the LCO islands, significant shifts in current flow are observed, and underlying mechanisms for this behavior are discussed. The c-AFM images are compared with photoemission electron microscopy images, which are used to acquire statistics across hundreds of particles. Finally, the results indicate that strain and morphology become more critical to electrochemical performance as particles approach nanometer dimensions.

25 ENERGY STORAGE↗
DOE OSTI2024

Multimodal synchrotron x-ray diffraction across the superconducting transition of Sr 0.1 Bi 2 Se 3

Here, in the doped topological insulator Sr x Bi 2 ⁢Se 3 , a pronounced in-plane twofold symmetry is observed in electronic properties below the superconducting transition temperature T c ~ 3 K, despite the threefold symmetry of the observed $R\overline{3}m$ space group. The axis of twofold symmetry is nominally pinned to one of three rotationally equivalent crystallographic directions and crystallographic strain has been proposed to be the origin of this pinning. We carried out multimodal synchrotron diffraction and resistivity measurements down to and in magnetic fields up to 45 kG on a single crystal of to probe the effect of superconductivity on the crystallographic distortion. Our results indicate that there is no in-plane crystallographic distortion at the level of 1 x 10 -5 associated with the superconducting transition. These results further support the model that the large twofold in-plane anisotropy of superconducting properties of Sr x Bi 2 ⁢Se 3 is not structural in origin, but electronic, namely, it is caused by a nematic superconducting order parameter of E u symmetry.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Prevalence of pretransition disordering in the rutile-to- CaCl 2 phase transition of GeO 2

WE report the ability to tailor a material's electronic properties using density driven disordering has emerged as a powerful route to materials design. The observation of anomalous structural and electronic behavior in the rutile to CaCl 2 phase transition in SnO 2 led to the prediction that such behavior is inherent to all oxides experiencing such a phase transition sequence [Smith et al., J. Phys. Chem. Lett. 10, 5351 (2019)]. Here, the ultrawide band gap semiconductor GeO 2 is confirmed to exhibit anomalous behavior during the rutile to CaCl 2 phase transition. A phase pure rutile GeO 2 sample synthesized under high-pressure, high-temperature conditions is probed using synchrotron diffraction and x-ray and optical spectroscopy under high pressure conditions. Density functional theory calculations show that the enthalpic barrier to displacing an oxygen along the B 1g librational mode decreases with pressure leading up to the rutile to CaCl 2 phase transition. The band structure of the distorted state shows that such oxygen displacements form small polarons.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Surface Molecular Chemistry in Solar Fuel Research

Through this research, we aim to combine transition metal catalysts with light-absorbing semiconductors for use in efficient solar energy conversion. Upon receiving photogenerated electrons from the semiconductors, the transition metal catalysts could accelerate the reduction of carbon dioxide into energy-rich fuels. We have deposited cobalt complexes, including cobalt macrocycles and single cobalt catalysts, onto different semiconductors that demonstrated targeted activities in photochemical carbon dioxide reduction. The structures and catalytic mechanisms of the surface cobalt catalysts were investigated using advanced techniques, including X-ray absorption spectroscopy at DOE user facilities. Our research provides new strategies to enable effective coupling between molecularly defined catalytic sites with heterogeneous surfaces for converting solar energy into chemicals and fuels. Research results obtained through this project have been disseminated through journal publications and conference presentation. In addition, this project provided important interdisciplinary training opportunities for two postdoctoral scholars, four graduate researchers, and one high school student. It also allowed us to establish successful State-National Laboratory partnerships with Brookhaven National Lab and Argonne National Lab.

14 SOLAR ENERGY↗
NASA NTRS1973

Transition radiation in astrophysics.

Transition radiation produced by relativistic electrons traversing cosmic grains is investigated as a possible source of celestial X rays. The detailed theory of transition radiation including the formation-zone effect is used to calculate the X-ray emissivity in interstellar space. It is found that the largest contribution of transition radiation to the observed X-ray emission from the galactic disk is at about 2 keV, where less than about 0.3% of the observed emissivity is due to transition radiation. At higher energies transition radiation is strongly suppressed by the formation-zone effect, while at lower energies the observed emissivity increases much faster with decreasing energy than does transition radiation. Transition radiation is also compared with bremsstrahlung, synchrotron emission, and Compton scattering. The comparison with synchrotron emission and bremsstrahlung relates X-ray production by transition radiation to radio emission and to approximately 100-MeV gamma-ray production, respectively.

Yodh, G. B.↗
DOE OSTI2021

Topological Frustration as a New Parameter to Tune Morphology Revealed through Exploring the Continuum between A-B-C 3-Arm Star and Linear Triblock Polymers

Block polymers assemble into a variety of phase-separated morphologies based on volume fraction (φ) and interactions (χ) of the respective blocks. The arrangement of three different polymer blocks could either be a 3-arm star, with each block having one terminus attached to a common junction point or a linear A-B-C architecture. A versatile strategy is reported to synthesize a series of well-defined graft polymers that lie along the unexplored continuum between a 3-arm star and an A-B-C linear triblock polymer architecture. Using the technique of single-molecule insertion, precise control over the position of graft arm C along the B chain was achieved. A series of discrete graft polymers (PMMA-b-PS-g-PEO) with fixed φ and prescribed ω values that lie on the continuum between a 3-arm star (ω = 0) and linear triblock polymer (ω = 1) were synthesized. Morphological studies using small-angle X-ray scattering and conventional and energy-filtered transmission electron microscopy reveal the transition between lamellae, perforated lamellae, and cylindrical morphologies with systematic variation in the ω values, a trend attributed to the topological frustration and the associated χ values between the three blocks. Molecular dynamic simulations of coarse-grained models were found to predict phase diagrams that are consistent with the experimentally observed morphologies. Furthermore, our results suggest that changes in ω lead to topological frustration which is an important additional new design parameter that can be used to tune the morphology of multiblock polymers in addition to φ and χ.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Electrocatalytic Isoxazoline–Nanocarbon Metal Complexes

In this work, we report the synthesis of new carbon-nanomaterial-based metal chelates that enable effective electronic coupling to electrocatalytic transition metals. In particular, multiwalled carbon nanotubes (MWCNTs) and few-layered graphene (FLG) were covalently functionalized by a microwave-assisted cyclo-addition with nitrile oxides to form metal-binding isoxazoline functional groups with high densities. The covalent attachment was evidenced by Raman spectroscopy, and the chemical identity of the surface functional groups was confirmed by X-ray photoelectron spectroscopy (XPS) and time-of-flight secondary ion mass spectrometry (ToF-SIMS). The functional carbon nanomaterials effectively chelate precious metals Ir(III), Pt(II), and Ru(III), as well as earth-abundant metals such as Ni(II), to afford materials with metal contents as high as 3.0 atom %. The molecularly dispersed nature of the catalysts was confirmed by X-ray absorption spectroscopy (XAS) and energy-dispersive X-ray spectroscopy (STEM-EDS) elemental mapping. The interplay between the chelate structure on the graphene surface and its metal binding ability has also been investigated by a combination of experimental and computational studies. The defined ligands on the graphene surfaces enable the formation of structurally precise heterogeneous molecular catalysts. The direct attachment of the isoxazoline functional group on the graphene surfaces provides strong electronic coupling between the chelated metal species and the conductive carbon nanomaterial support. We demonstrate that the metal-chelated carbon nanomaterials are effective heterogeneous catalysts in the oxygen evolution reaction with low overpotentials and tunable catalytic activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

Measurement of the transition probability of the C III 190.9 nanometer intersystem line

A radio-frequency ion trap has been used to store C(2+) ions created by electron bombardment of CO. The transition probability for the 2s2p 3Po1-2s2 1S0 intersystem line of C m has been measured by recording the radiative decay at 190.9 nm. The measured A-value is 121 +/- 7/s and agrees, within mutual uncertainty limits, with that of Laughlin et al. (1978), but is 20 percent larger than that of Nussbaumer and Storey (1978). The effective collision mixing rate coefficient among the fine structure levels of 3Po and the combined quenching and charge transfer rate coefficients out of the 3Po1 level with the CO source gas have also been measured.

Kwong, Victor H. S.↗
NASA NTRS1991

Fine structure and resonance transitions in C(+)

Significant features in the collision strengths for electron-impact excitation of the fine-structure transition 2P0 1/2 - 2P0 3/2 and the resonance transition 2P0 - 2D in C(+) are discussed based on improved calculations. The former transition gives rise to a well-known (2,3) line in the infrared spectra of many astrophysical sources.

Blum, Robert D.↗
DOE OSTI2020

Magnetic field frustration of the metal-insulator transition in V 2 O 3

Despite decades of efforts, the origin of metal-insulator transitions (MITs) in strongly correlated materials remains one of the main long-standing problems in condensed-matter physics. An archetypal example is V 2 O 3 , which undergoes simultaneous electronic, structural, and magnetic phase transitions. This remarkable feature highlights the many degrees of freedom at play in this material. In this work, acting solely on the magnetic degree of freedom, we reveal an anomalous feature in the electronic transport of V 2 O 3 : On cooling, the magnetoresistance changes from positive to negative values well above the MIT temperature, and shows divergent behavior at the transition. In this work, the effects are attributed to the magnetic field quenching antiferromagnetic fluctuations above the Néel temperature $T_N$, and preventing long-range antiferromagnetic ordering below $T_N$. In both cases, suppressing the antiferromagnetic ordering prevents the opening of the incipient electronic gap. This interpretation is supported by Hubbard model calculations which fully reproduce the experimental behavior. Our study sheds light on this classic problem providing a clear and physical interpretation of the nature of the metal-insulator transition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1991

Resonance transition radiation X-ray laser

A free electron laser is proposed using a periodic dielectric and helical magnetic field. Periodic synchronism between the electrons and the optical wave is obtained at the period of the dielectric and not at the period of the helical magnetic field. The synchronism condition and the gain of the new device are derived. The effects on the gain from dephasing and beam expansion due to elastic scattering of the electrons in the periodic medium are included in the gain calculation. Examples of the resonance transition radiation laser and klystron are given. Operation at photon energies between 2.5 and 3.5 keV with net gain up to 12 percent is feasible using high electron-beam energies of 3 and 5 GeV. Moderate (300-MeV) beam energy allows operation between 80 to 110 eV with up to 57 percent net gain using a klystron design. In both cases, rapid foil heating may limit operation to a single electron-beam pulse.

Reid, Max B.↗
DOE OSTI2025

Hadron Storage Ring Transition Crossing for Yellow Only Configuration

The Electron Ion Collider (EIC) Hadron Storage Ring (HSR) has undergone many iterations. This technical note captures the progress made on transition crossing in the HSR studies for the yellow only configuration. Being heavily dependent on the phase advance per cell, the hsr-au-trans-8786phi-071725 optics was used where the phase advances per arc cell are 87°, horizontal and 85°, vertical. These phase advances were chosen to aid in the cancellation of the β and η waves generated during the jump and to minimize the tune shift. The total change in the γ T is 1 unit as prescribed. This technical note will describe the process in which HSR will jump transition with the assumption that longitudinal dynamics will be handled similar to the Relativistic Heavy Ion Collider (RHIC).

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Transforming an Ionic Conductor into an Electronic Conductor via Crystallization: In Situ Evolution of Transference Numbers and Structure in (La,Sr)(Ga,Fe)O 3–x Perovskite Thin Films

Mixed-conducting perovskites are workhorse electrochemically active materials, but typical high-temperature processing compromises their catalytic activity and chemo-mechanical integrity. Low-temperature pulsed laser deposition of amorphous films plus mild thermal annealing is an emerging route to form homogeneous mixed conductors with exceptional catalytic activity, but little is known about the evolution of the oxide-ion transport and transference numbers during crystallization. Here the coupled evolution of ionic and electronic transport behavior and structure in room-temperature-grown amorphous (La,Sr)(Ga,Fe)O 3-x films as they crystallize is explored. In situ ac-impedance spectroscopy with and without blocking electrodes, simultaneous capturing-synchrotron-grazing-incidence X-ray diffraction, dc polarization, transmission electron microscopy, and molecular dynamics simulations to evaluate isothermal and non-isothermal crystallization effects and the role of grain boundaries on transference numbers is combined. Ionic conductivity increases by ≈2 orders of magnitude during crystallization, with even larger increases in electronic conductivity. Consequently, as crystallinity increases, LSGF transitions from a predominantly ionic conductor to a predominantly electronic conductor. The roles of evolving lattice structural order, microstructure, and defect chemistry are examined. Grain boundaries appear relatively nonblocking electronically but significantly blocking ionically. The results demonstrate that ionic transference numbers can be tailored over a wide range by tuning crystallinity and microstructure without having to change the cation composition.

36 MATERIALS SCIENCE↗
NASA NTRS2000

A Hot-electron Direct Detector for Radioastronomy

A new approach is proposed to improve the sensitivity of direct-detection bolometers. The idea is to adjust a speed of the thermal relaxation of hot-electrons in a nanometer size normal metal or superconductive transition edge bolometer by controlling the elastic electron mean free path. If the bolometer contacts are made of a superconductor with high critical temperature then the thermal diffusion into the contacts is absent because of the Andreev's reflection and the electron-phonon relaxation is the only mechanism for heat removal. The relaxation rate should behave as 7(exp 4)l at subkelvin temperatures (l is the electron elastic mean free path) and can be reduced by factor of 10 - 100 by decreasing l. Then an antenna- or waveguide-coupled bolometer with a time constant approx. 10(exp -3) to 10(exp -5) S at T approx. = 0.1 - 0.3 K will exhibit photon-noise limited performance in millimeter and subn-millimeter range. The bolometer will have a figure-of-merit NEk square root of tau approx. = 10(exp -22) 10(exp -21) W/Hz at 100 mK which is 10(exp 3) times smaller than that of a state-of-the-art bolometer. This will allow for a tremendous increase in speed which will have a significant impact for observational mapping applications. Alternatively, the bolometer could operate at higher temperature with still superior sensitivity This research was performed by the Center for Space Microelectronics Technology, JPL, California Institute of Technology, under the contract for NASA.

Karasik, B. S.↗
NASA NTRS2004

The Near-Earth Space Radiation for Electronics Environment

The earth's space radiation environment is described in terms of: a) charged particles as relevant to effects on spacecraft electronics, b) the nature and distribution of trapped and transiting radiation, and c) their effect on electronic components.

Stassinopoulos, E. G.↗
DOE OSTI2026

Electronic coherence evolution at the nearly commensurate-incommensurate CDW boundary of 1⁢T−TaS 2

Transition-metal dichalcogenides host a variety of charge-density-wave phases that couple lattice, charge, and correlation effects. In 1⁢𝑇−TaS 2 , the commensurate and nearly commensurate states are well characterized, yet the transition near 350 K into the incommensurate phase has lacked direct momentum-resolved insight. In this work, we use temperature-dependent angle-resolved photoemission spectroscopy to track the electronic structure across this transition. We observe a suppression of quasiparticle spectral weight at the Brillouin-zone center, coincident with the transport anomaly, but without clear evidence of a full band-gap opening. The transition appears to involve momentum-dependent redistribution of spectral weight, consistent with a loss of coherence that reshapes the Fermi surface while leaving conduction dispersions largely intact. These results suggest that the nearly commensurate–incommensurate transition may not align with a conventional metal-insulator transition picture, but rather as an electronic reconstruction driven by loss of coherence. Our work provides new microscopic insight into the resistivity anomaly near room temperature and may guide design principles for collective electronic switching in transition-metal dichalcogenides.

36 MATERIALS SCIENCE↗
NASA NTRS1977

On the problem of density diagnostics for the EUV spectrum of the solar transition zone

Spectral-line ratios that may be used to determine the electron temperature and density in the solar transition zone and corona are identified. The problem of interpreting the intensity ratios of C III lines observed in Skylab EUV limb spectra is considered. It is shown that the intensity distribution with height above the solar limb of the 1176-A C III lines is different from that of the 1909-A C III lines in the Skylab spectra, suggesting that model atmospheres must be folded into the C III calculations for proper interpretation of the data. Possible reasons for the differences in the intensity distributions and widths of the 1176-A and 1909-A lines are discussed along with an application to the analogous lines of Si III.

Doschek, G. A.↗