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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 19 records

Evaluation of microstructural changes in fresh cement paste using AC impedance spectroscopy vs. oscillation rheology and 1H NMR relaxometry

AC impedance spectroscopy (ACIS) is a promising technique for monitoring the microstructure evolution of fresh cement paste in real-time. This paper compared the change of bulk electric resistivity (ρ{sub bulk}) obtained from ACIS with the developments of storage modulus (G′) and the mean transverse relaxation times (T{sub 2}) of fresh Portland cement pastes within 5 h. It was found that the three different phases (Phase I, II, and III) on the microstructural build-up process of fresh paste can be accurately distinguished by analyzing ρ{sub bulk}, as well as G′ and T{sub 2}. The use of ρ{sub bulk} fails to characterize the microstructural changes in Phase I due to the great sensitivity on the electrical conductivity of the interstitial solution. However, it can successfully reflect the developing features of microstructure in Phases II and III, and reliably evaluate the impacts of water to cement ratio, superplasticizer, and supplementary cementitious materials on the microstructural development.

36 MATERIALS SCIENCE↗

The effects of continuum fitting on Lyman-α forest correlations

Correlations of fluctuations of the flux in Lyman-α forests of high-redshift quasars have been observed by the Baryonic Acoustic Oscillation Spectroscopy Survey (BOSS) and the Dark Energy Spectroscopy Instrument (DESI) survey where they have revealed the effects of baryon acoustic oscillations (BAO). In order to fit the correlation functions to a physical model and thereby constrain cosmological parameters, it is necessary to take into account the effects of fitting the observed spectra to a template about which the fluctuations are measured. In this paper we use mock spectra to test the distortion matrix technique that has been used since the final BOSS data release to appropriately distort the models. We show that while percent-level effects on the derived forest bias parameters may be present, the technique works sufficiently well that the determination of the BAO peak position is not affected at the percent level. We introduce modifications in the technique used by DESI that were not in the original applications and suggest further possibilities for improvements.

Lyman alpha forest↗

Submillimeter local oscillators for heterodyne spectroscopy

The major technological innovations in continuous wave (CW) submillimeter sources which are specifically suitable for application as local oscillators in heterodyne systems are reviewed. A description of the various sources is given which underscores the general principles and operating features for each type of device. Particular emphasis is placed on CW optically pumped lasers, which have had a dramatic impact as widely available sources of narrow linewidth coherent radiation. The state-of-the-art is summarized for these lasers and performance data are presented for several local oscillator packages. Optically pumped lasers are then compared and contrasted with other competing sources such as backward wave oscillators, IMPATT diodes, and Josephson junctions. By comparing their advantages and limitations for use as local oscillators, the potential applications of these different sources are projected. The prospects for increased tunability, reliability, and scalability are briefly considered, and several novel techniques for generating partially tunable radiation using Schottky diode mixers or CW Raman lasers are highlighted.

Danielewicz, E. J., Jr.↗

Solid-state radio frequency oscillator for optogalvanic spectroscopy - Detection of nitric oxide using the 2-0 overtone transition

A compact, solid-state radio-frequency oscillator of low-power consumption is described, which allows quantitative measurement of the optogalvanic effect in low-pressure gas discharges. The oscillator has been used to record a portion of the 2-0 overtone band of nitric oxide at a pressure of about 1 Torr using a tunable color-center laser operating at 2.65 microns.

May, R. D.↗

Measurement of neutral gadolinium oscillator strengths using dual-comb absorption spectroscopy in laser-produced plasmas

The oscillator strengths of 43 transitions of neutral gadolinium from 530 to 535 nm were determined based on high-resolution absorption spectra measured by probing a laser-produced plasma (LPP) using time-resolved dual-comb spectroscopy (DCS). Absorption spectra were measured at various time delays, ranging from 33 to 252 µs after the onset of the plasma formation, over which the temperature and number density varied as the ablation plume evolved. A Boltzmann analysis was used to determine the excitation temperature and column density of Gd in the ablation plume, based on measured absorption from 20 Gd I spectral lines with known oscillator strengths. Oscillator strengths were then determined for additional dipole-allowed Gd I transitions identified in the absorption spectra, 19 of which were previously unreported. Oscillator strengths of all measured transitions were compared with literature values when available and show good agreement in most cases. Time-resolved measurement of atomic absorption in the cooling plasma provides access to a range of excitation temperatures and optical densities for the atoms in the ablation plume, allowing repeated measurements under different conditions, thereby improving confidence in the results. The high spectral bandwidth and resolution capabilities of DCS make it well-suited to measuring the dense optical spectrum of Gd, and the technique is applicable to other elements, especially lanthanides and actinides.

(280.4788) Optical Sensing, (280.5395) Plasma Diag↗

Mid-infrared spectroscopy with a broadly tunable thin-film lithium niobate optical parametric oscillator

Mid-infrared spectroscopy, an important technique for sensing molecules, has encountered barriers from sources either limited in tuning range or excessively bulky for widespread use. We present a compact, efficient, and broadly tunable optical parametric oscillator surmounting these challenges. Leveraging dispersion-engineered thin-film lithium niobate-on-sapphire photonics and a singly resonant cavity allows broad, controlled tuning over an octave from 1.5–3.3 µm. The device generates >25mW of mid-infrared light at 3.2 µm with 15% conversion efficiency. The ability to precisely control the device’s mid-infrared emission enables spectroscopy of methane and ammonia, demonstrating our approach’s relevance for sensing. Our work signifies an important advance in nonlinear photonics miniaturization, bringing practical field applications of high-speed, broadband mid-infrared spectroscopy closer to reality.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

THz frequency multiplier chains base on planar Schottky diodes

The Herschel Space Observatory (HSO), an ESA cornerstone mission with NASA contribution, will enable a comprehensive study of the galactic as well as the extra galactic universe. At the heart of this exploration are ultra sensitive coherent detectors that can allow for high-resolution spectroscopy. Successful operation of these receivers is predicated on providing a sufficiently powerful local oscillator (LO) source. Historically, a versatile space qualified LO source for frequencies beyond 500 GHz has been difficult if not impossible. This paper will focus on the effort under way to develop, build, characterize and qualify a LO chain to 1200 GHz (Band 5 on HSO) that is based on planar GaAs diodes mounted in waveguide circuits. State-of-the-art performance has been obtained from a three-stage ( x2 x 2 x 3 ) multiplier chain that can provide a peak output power of 120 uW (1178 GHz) at room temperature and a peak output power of 190 uW at 1183 GHz when cooled to 113 K. Implementation of this LO source for the Heterodyne Instrument for Far Infrared (HIFI) on HSO will be discussed in detail.

oscillator spectroscopy↗

Quantum Sensing of Electric Fields Using Spin-Correlated Radical Ion Pairs

Quantum sensing affords the possibility of using quantum entanglement to probe electromagnetic fields with exquisite sensitivity. In this work, we show that a photogenerated spin-correlated radical ion pair (SCRP) can be used to sense an electric field change created at one radical ion of the pair using molecular recognition. The SCRP is generated within a covalent donor–chromophore–acceptor system PXX–PMI–NDI, 1, where PXX = peri-xanthenoxanthene, PMI = 1,6-bis(p-t-butylphenoxy)perylene-3,4-dicarboximide, and NDI = naphthalene-1,8:4,5-bis(dicarboximide). The electron-rich PXX donor in 1 acts as a guest molecule that can be encapsulated selectively by a tetracationic cyclophane ExBox4+ host to give a supramolecular complex 1 ⊂ ExBox 4+ . Selective photoexcitation of the PMI chromophore results in ultrafast generation of the PXX •+ –PMI–NDI •– SCRP. When PXX is encapsulated by ExBox 4+ , the cyclophane generates an electric field that repels the positive charge on PXX •+ within PXX •+ –PMI–NDI •– , reducing the SCRP distance, i.e., the distance between the centers-of-charge on the donor and acceptor. Pulse-EPR measurements are used to measure the coherent oscillations created primarily by the electron–electron dipolar coupling in the SCRP, which yields the distance between the two charges (spins) of PXX •+ –PMI–NDI •– . Here, the experimental results show that the distance between PXX •+ and NDI •– decreases when ExBox 4+ encapsulates PXX •+ , which demonstrates that the SCRP can function as a quantum sensor to detect electric field changes in the vicinity of the radical ions.

Anions↗

Structural Conservation of the A 1 Binding Site in Photosystem I across Cyanobacteria and Green Algae

Time-resolved step-scan Fourier transform infrared (FTIR) difference spectroscopy was used to obtain (A 1 − − A 1 ) FTIR difference spectra from photosystem I (PSI) samples isolated from eight phylogenetically diverse cyanobacterial strains and one green alga, totaling 13 PSI preparations. These included samples from cells grown under farred light and PSI in monomeric, dimeric, trimeric, and tetrameric states. Spectral profiles were shown to be independent of oligomeric state. Remarkably, all (A 1 − − A 1 ) FTIR difference spectra exhibited high similarity, underscoring the robustness of the technique and indicating minimal experimental variability. This congruence reveals a highly conserved environment for the phylloquinone cofactor at the A 1 binding site across diverse taxa. Conserved bands associated with the A 0 pigment further suggest structural continuity from A 0 to A 1 . To leverage this consistency, we constructed a composite (A 1 − − A 1 ) FTIR difference spectrum by averaging all 13 spectra. This composite spectrum provides enhanced resolution, enabling unambiguous identification of previously unresolved bands. The fact that a highly resolved composite spectrum can be obtained by averaging demonstrates the similarity in the spectra from the different types of samples. Band assignments were refined using prior studies, yielding an improved spectral framework for future investigations of PSI electron transfer cofactors.

Charge transfer↗

A stable submillimeter laser local oscillator for heterodyne radiometry and spectroscopy

A submillimeter laser with off-axis pump beam injection is described. This design concept achieves complete isolation of the pump laser with respect to the pump radiation reflected from the submillimeter resonator. Active line independent stabilization of the pump laser is obtained by the use of an external tunable etalon as a frequency reference. The submillimeter output power is constant to within 4% over periods of hours. Mean frequency drifts of less than 2 parts in 100 million per minute were measured by mixing with very high harmonics of an X-band synthesizer in a planar Schottky diode.

Koepf, G. A.↗

Research on Spectroscopy, Opacity, and Atmospheres

A web site has been set up to make the calculations accessible; (i.e., cfakus.harvard.edu) This data can also be accessed by FTP. It has all of the atomic and diatomic molecular data, tables of distribution function opacities, grids of model atmospheres, colors, fluxes, etc, programs that are ready for distribution, and most of recent papers developed during this grant. Atlases and computed spectra will be added as they are completed. New atomic and molecular calculations will be added as they are completed. The atomic programs that had been running on a Cray at the San Diego Supercomputer Center can now run on the Vaxes and Alpha. The work started with Ni and Co because there were new laboratory analyses that included isotopic and hyperfine splitting. Those calculations are described in the appended abstract for the 6th Atomic Spectroscopy and oscillator Strengths meeting in Victoria last summer. A surprising finding is that quadrupole transitions have been grossly in error because mixing with higher levels has not been included. All levels up through n=9 for Fe I and II, the spectra for which the most information is available, are now included. After Fe I and Fe II, all other spectra are "easy". ATLAS12, the opacity sampling program for computing models with arbitrary abundances, has been put on the web server. A new distribution function opacity program for workstations that replaces the one used on the Cray at the San Diego Supercomputer Center has been written. Each set of abundances would take 100 Cray hours costing $100,000.

Kurucz, Robert L.↗

Research on Spectroscopy, Opacity, and Atmospheres

To make my calculations more readily accessible I have set up a web site cfaku5.harvard.edu that can also be accessed by FTP. it has 5 9GB disks that hold all of my atomic and diatomic molecular data, my tables of distribution function opacities, my grids of model atmospheres, colors, fluxes, etc, my program that are ready for distribution, most of my recent papers. Atlases and computed spectra will be added as they are completed. New atomic and molecular calculations will be added as they are completed. I got my atomic programs that had been running on a Cray at the San Diego Supercomputer Center to run on my Vaxes and Alpha. I started with Ni and Co because there were new laboratory analyses that included isotopic and hyperfine splitting. Those calculations are described in the appended abstract for the 6th Atomic Spectroscopy and oscillator Strengths meeting in Victoria last summer. A surprising finding is that quadrupole transitions have been grossly in error because mixing with higher levels has not been included. I now have enough memory in my Alpha to treat 3000 x 3000 matrices. I now include all levels up through n=9 for Fe I and 11, the spectra for which the most information is available. I am finishing those calculations right now. After Fe I and Fe 11, all other spectra are "easy", and I will be in mass production. ATL;LS12, my opacity sampling program for computing models with arbitrary abundances, has been put on the web server. I wrote a new distribution function opacity program for workstations that replaces the one I used on the Cray at the San Diego Supercomputer Center. Each set of abundances would take 100 Cray hours costing $100,000. 1 ran 25 cases. Each of my opacity CDs contains three abundances. I have a new program -iinning on the Alpha that takes about a week. I am going to have to get a faster processor or I will have to dedicate a whole workstation just to opacities.

Kurucz, Robert L.↗

Analysis methodology of coherent oscillations in time- and angle-resolved photoemission spectroscopy

Oscillatory signals from coherently excited phonons are regularly observed in ultrafast pump–probe experiments on condensed matter samples. Electron–phonon coupling implies that coherent phonons also modulate the electronic band structure. These oscillations can be probed with energy and momentum resolution using time- and angle-resolved photoemission spectroscopy (trARPES), which reveals the orbital dependence of the electron–phonon coupling for a specific phonon mode. However, a comprehensive analysis remains challenging when multiple coherent phonon modes couple to multiple electronic bands. Complex spectral line shapes due to strong correlations in quantum materials add to this challenge. In this work, we examine how the frequency domain representation of trARPES data facilitates a quantitative analysis of coherent oscillations of the electronic bands. Here, we investigate the frequency domain representation of the photoemission intensity and the first moment of the energy distribution curves. Both quantities provide complementary information and are able to distinguish oscillations of binding energy, linewidth, and intensity. We analyze a representative trARPES dataset of the transition metal dichalcogenide WTe 2 and construct composite spectra, which intuitively illustrate how much each electronic band is affected by a specific phonon mode. We also show how a linearly chirped probe pulse can generate extrinsic artifacts that are distinct from the intrinsic coherent phonon signal.

47 OTHER INSTRUMENTATION↗

Weyl nodal ring states and Landau quantization with very large magnetoresistance in square-net magnet EuGa 4

Magnetic topological semimetals allow for an effective control of the topological electronic states by tuning the spin configuration. Among them, Weyl nodal line semimetals are thought to have the greatest tunability, yet they are the least studied experimentally due to the scarcity of material candidates. Here, using a combination of angle-resolved photoemission spectroscopy and quantum oscillation measurements, together with density functional theory calculations, we identify the square-net compound EuGa 4 as a magnetic Weyl nodal ring semimetal, in which the line nodes form closed rings near the Fermi level. The Weyl nodal ring states show distinct Landau quantization with clear spin splitting upon application of a magnetic field. At 2 K in a field of 14 T, the transverse magnetoresistance of EuGa 4 exceeds 200,000%, which is more than two orders of magnitude larger than that of other known magnetic topological semimetals. Our theoretical model suggests that the non-saturating magnetoresistance up to 40 T arises as a consequence of the nodal ring state.

36 MATERIALS SCIENCE↗

BCS-BEC crossover driven by small Fermi pockets of a high- T c cuprate superconductor

Fermi arcs observed in underdoped cuprates have sparked debate over whether they represent segments of a large Fermi surface or small Fermi pockets. This ambiguity has long hindered their classification as either the conventional Bardeen-Cooper-Schrieffer (BCS) regime or the strongly coupled Bose-Einstein condensation (BEC) crossover limit. Here, using angle-resolved photoemission spectroscopy and quantum oscillations, we demonstrate the coexistence of a small Fermi pocket and a large superconducting gap in the clean inner CuO 2 layers of the four-layer cuprate Ba 2 Ca 3 Cu 4 O 8 (F,O) 2 . This coexistence constitutes a hallmark of the BCS-BEC crossover and has remained elusive for decades. Despite the presence of antiferromagnetic (AF) order, the superconducting gap in the small pocket is remarkably large, yielding a gap-to-Fermi energy ratio (Δ pocket /ε F ~ 0.6) and a critical-to-Fermi temperature ratio (T c /T F ~ 0.13) that reach the theoretical upper bound for two-dimensional superconductivity. Unexpectedly, this BCS-BEC crossover emerges not as the carrier density decreases but as it increases, abruptly within a narrow doping range of less than 1%. These results provide a long-sought microscopic foundation for the d-wave pairing mechanism in doped AF-Mott insulators.

Jeong, Junhyeok [University of Tokyo, Kashiwa (Jap↗

Frustrated electron hopping from the orbital configuration in a two-dimensional lattice

Electron hopping on spatially periodic lattices gives rise to intriguing electronic behaviour. For example, hopping on the geometrically frustrated two-dimensional kagome, dice and Lieb lattices yields electronic band structures with both massless Dirac-like and perfectly dispersion-less, flat bands. As materials featuring the dice and Lieb lattice structures are scarce, an alternative approach proposes to leverage atomic orbitals to realize the characteristic electron hopping of geometrically frustrated lattices. This strategy promises to expand the list of candidate materials with frustrated electron hopping, but is yet to be shown in experiments. Here, in this study, we demonstrate frustrated hopping in the van der Waals intermetallic Pd 5 AlI 2 , emerging from the arrangement of atomic orbitals in a primitive square lattice. Using angle-resolved photoemission spectroscopy and quantum oscillation measurements, we reveal that the band structure of Pd 5 AlI 2 includes linear Dirac-like bands intersected at their crossing point by a locally flat band—an essential characteristic of frustrated hopping in Lieb and dice lattices. Moreover, this compound shows exceptional chemical stability, with its unusual bulk band structure and metallicity persisting in ambient conditions down to the monolayer limit. Hence, our results showcase a way to realize electronic structures characteristic of geometrically frustrated lattices in non-frustrated systems.

36 MATERIALS SCIENCE↗