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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 487 records · Page 27

I Spy Transits and Pulsations: Empirical Variability in White Dwarfs Using Gaia and the Zwicky Transient Facility

We present a novel method to detect variable astrophysical objects and transient phenomena using anomalous excess scatter in repeated measurements from public catalogs of Gaia DR2 and Zwicky Transient Facility (ZTF) DR3 photometry. We first provide a generalized, all-sky proxy for variability using only Gaia DR2 photometry, calibrated to white dwarf stars. To ensure more robust candidate detection, we further employ a method combining Gaia with ZTF photometry and alerts. To demonstrate its efficacy, we apply this latter technique to a sample of roughly 12,100 white dwarfs within 200 pc centered on the ZZ Ceti instability strip, where hydrogen-atmosphere white dwarfs are known to pulsate. Here, by inspecting the top 1% of the samples ranked by these methods, we demonstrate that both the Gaia-only and ZTF-informed techniques are highly effective at identifying known and new variable white dwarfs, which we verify using follow-up, high-speed photometry. We confirm variability in all 33 out of 33 (100%) observed white dwarfs within our top 1% highest-ranked candidates, both inside and outside the ZZ Ceti instability strip. In addition to dozens of new pulsating white dwarfs, we also identify five white dwarfs highly likely to show transiting planetary debris; if confirmed, these systems would more than triple the number of white dwarfs known to host transiting debris.

79 ASTRONOMY AND ASTROPHYSICS↗

Fault detection using a two-model test for changes in the parameters of an autoregressive time series

This article describes an investigation of a statistical hypothesis testing method for detecting changes in the characteristics of an observed time series. The work is motivated by the need for practical automated methods for on-line monitoring of Deep Space Network (DSN) equipment to detect failures and changes in behavior. In particular, on-line monitoring of the motor current in a DSN 34-m beam waveguide (BWG) antenna is used as an example. The algorithm is based on a measure of the information theoretic distance between two autoregressive models: one estimated with data from a dynamic reference window and one estimated with data from a sliding reference window. The Hinkley cumulative sum stopping rule is utilized to detect a change in the mean of this distance measure, corresponding to the detection of a change in the underlying process. The basic theory behind this two-model test is presented, and the problem of practical implementation is addressed, examining windowing methods, model estimation, and detection parameter assignment. Results from the five fault-transition simulations are presented to show the possible limitations of the detection method, and suggestions for future implementation are given.

Scholtz, P.↗

Detection of early-universe gravitational-wave signatures and fundamental physics

Detection of a gravitational-wave signal of non-astrophysical origin would be a landmark discovery, potentially providing a significant clue to some of our most basic, big-picture scientific questions about the Universe. In this white paper, we survey the leading early-Universe mechanisms that may produce a detectable signal—including inflation, phase transitions, topological defects, as well as primordial black holes—and highlight the connections to fundamental physics. We review the complementarity with collider searches for new physics, and multimessenger probes of the large-scale structure of the Universe.

79 ASTRONOMY AND ASTROPHYSICS↗

Kβ X-ray Emission Spectroscopy as a Probe of Cu(I) Sites: Application to the Cu(I) Site in Preprocessed Galactose Oxidase

Cu(I) active sites in metalloproteins are involved in O 2 activation, but their O 2 reactivity is difficult to study due to the Cu(I) d 10 closed shell which precludes the use of conventional spectroscopic methods. Kβ X-ray emission spectroscopy (XES) is a promising technique for investigating Cu(I) sites as it detects photons emitted by electronic transitions from occupied orbitals. Here, we demonstrate the utility of Kβ XES in probing Cu(I) sites in model complexes and a metalloprotein. Using Cu(I)Cl, emission features from double-ionization (DI) states are identified using varying incident X-ray photon energies, and a reasonable method to correct the data to remove DI contributions is presented. Kβ XES spectra of Cu(I) model complexes, having biologically relevant N/S ligands and different coordination numbers, are compared and analyzed, with the aid of density functional theory (DFT) calculations, to evaluate the sensitivity of the spectral features to the ligand environment. While the low-energy Kβ 2,5 emission feature reflects the ionization energy of ligand np valence orbitals, the high-energy Kβ 2,5 emission feature corresponds to transitions from molecular orbitals (MOs) having mainly Cu 3d character with the intensities determined by ligand-mediated d–p mixing. A Kβ XES spectrum of the Cu(I) site in preprocessed galactose oxidase (GO pre ) supports the 1Tyr/2His structural model that was determined by our previous X-ray absorption spectroscopy and DFT study. Finally, the high-energy Kβ 2,5 emission feature in the Cu(I)-GO pre data has information about the MO containing mostly Cu 3d x 2 –y 2 character that is the frontier molecular orbital (FMO) for O 2 activation, which shows the potential of Kβ XES in probing the Cu(I) FMO associated with small-molecule activation in metalloproteins.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Temperature-Dependent Optical and Structural Properties of Chiral Two-Dimensional Hybrid Lead-Iodide Perovskites

Layered hybrid halide perovskites gain chirality via the incorporation of chiral organic cations in the spacer layer. These so-called chiral two-dimensional (2D) halide perovskites have attracted considerable interest recently for chiral optoelectronic, spintronic, and ferroelectric applications. However, the effect of temperature on these materials, especially how the structure changes with temperature and its impact on the chiral optoelectronic properties, remains an open question. Here, we study the effect of temperature change on chiral optoelectronic and structural properties through temperature-dependent circularly polarized photoluminescence (CPPL) microscopy and synchrotron powder X-ray diffraction as well as pair distribution function analysis to elucidate the intrinsic chiral optoelectronic and structural variations for R-, S-, and racemic-methylbenzylamine lead iodide. Here our results show that the temperature-induced band gap changes indicate a strong electron–phonon coupling compared to the thermal-induced lattice expansion in chiral 2D perovskites. From powder diffraction measurements, a monotonic lattice expansion is observed on heating with no structural phase transitions over 90–360 K detected for the three samples studied herein. Locally, a strongly anisotropic and even negative expansion in some components of the instantaneous Pb–I pair-distance distribution is suggestive of coupling between dynamical intralayer distortions and lattice expansion. This work provides insights into the fundamental understanding of the temperature effect on chiral optoelectronic and structural properties of chiral 2D perovskites, which can lead to new chiral materials design strategies for future chiral optoelectronic applications.

36 MATERIALS SCIENCE↗

Spectroscopic and Computational Evidence of Uranium Dihydrogen Complexes

Dihydrogen complexation, a phenomenon with robust precedent in the transition metal series, is spectroscopically detected for a uranium(III) complex and thereby extended for the first time to the 5f series. The vacant coordination site and low valence of (C 5 H 4 SiMe 3 ) 3 U prove to be key to the reversible formation of (C 5 H 4 SiMe 3 ) 3 U–H 2 (complex 1), and the paramagnetism of the f 3 center facilitates the detection of complex 1 by NMR spectroscopy. Density functional theory calculations reveal that the delocalization of the 5f electron density from (C 5 H 4 SiMe 3 ) 3 U onto the side-on dihydrogen ligand is crucial to complex formation, an unusual bonding situation for an actinide acid–base complex. Here, the spectroscopic and computational results are compared to those reported for lanthanide metallocenes to yield insight into the nature of–and future possibilities for–f-element dihydrogen complexation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Alternant Hydrocarbon Diradicals as Optically Addressable Molecular Qubits

High-spin molecules allow for bottom-up qubit design and are promising platforms for magnetic sensing and quantum information science. Optical addressability of molecular electron spins has also been proposed in first-row transition-metal complexes via optically detected magnetic resonance (ODMR) mechanisms analogous to the diamond-nitrogen-vacancy color center. However, significantly less progress has been made on the front of metal-free molecules, which can deliver lower costs and milder environmental impacts. At present, most luminescent open-shell organic molecules are π-diradicals, but such systems often suffer from poor ground-state open-shell characters necessary to realize a stable ground-state molecular qubit. In this work, we use alternancy symmetry to selectively minimize radical–radical interactions in the ground state, generating π-systems with high diradical characters. We call them m-dimers, referencing the need to covalently link two benzylic radicals at their meta carbon atoms for the desired symmetry. Through a detailed electronic structure analysis, we find that the excited states of alternant hydrocarbon m-diradicals contain important symmetries that can be used to construct ODMR mechanisms leading to ground-state spin polarization. Furthermore, the molecular parameters are set in the context of a tris(2,4,6-trichlorophenyl)methyl (TTM) radical dimer covalently tethered at the meta position, demonstrating the feasibility of alternant m-diradicals as molecular color centers.

Chemistry↗

Possible Quantum Paramagnetism in Compressed Sr 2 IrO 4

The result of compression on the magnetic ground state of Sr 2 IrO 4 is studied with x-ray resonant techniques in the diamond anvil cell. The weak interlayer exchange coupling between square-planar 2D IrO 2 layers is easily modified upon compression, with a crossover between magnetic structures around 7 GPa mimicking the effect of an applied magnetic field at ambient pressure. Higher pressures drive an order-disorder magnetic phase transition with no magnetic order detected above 17–20 GPa. The persistence of strong exchange interactions between J eff = 1 / 2 magnetic moments within the insulating IrO 2 layers up to at least 35 GPa points to a highly frustrated magnetic state in compressed Sr 2 IrO 4 , opening the door for realization of novel quantum paramagnetic phases driven by extended 5 d orbitals with entangled spin and orbital degrees of freedom.

36 MATERIALS SCIENCE↗

Three-Magnon Bound State in the Quasi-One-Dimensional Antiferromagnet α-NaMnO 2

Here we report on the formation of a three-magnon bound state in the quasi-one-dimensional antiferromagnet α-NaMnO 2 , where the single-ion, uniaxial anisotropy inherent to the Mn 3+ ions in this material provides a binding mechanism capable of stabilizing higher order magnon bound states. While such states have long remained elusive in studies of antiferromagnetic chains, neutron scattering data presented here demonstrate that higher order n > 2 composite magnons exist, and, speci fically, that a weak three-magnon bound state is detected below the antiferromagnetic ordering transition of NaMnO 2 . We corroborate our findings with exact numerical simulations of a one-dimensional Heisenberg chain with easy-axis anisotropy using matrix-product state techniques, nding a good quantitative agreement with the experiment. Furthermore, these results establish NaMnO 2 as a unique platform for exploring the dynamics of composite magnon states inherent to a classical antiferromagnetic spin chain with Ising-like single ion anisotropy.

1-dimensional spin chains↗

Tensor renormalization group approach to critical phenomena via symmetry-twisted partition functions

The locality of field theories strongly constrains the possible behaviors of symmetry-twisted partition functions, and thus they serve as order parameters to detect low-energy realizations of global symmetries, such as spontaneous symmetry breaking (SSB). We demonstrate that the tensor renormalization group (TRG) offers an efficient framework to compute the symmetry-twisted partition functions, which enables us to detect the symmetry-breaking transition and also to study associated critical phenomena. As concrete examples of SSB, we investigate the two-dimensional (2D) classical Ising model and the three-dimensional (3D) classical 𝑂⁡(2) nonlinear sigma model, and we identify their critical points solely from the twisted partition function. By employing the finite-size scaling argument, we find the critical temperature 𝑇 𝑐 = 2.2017⁢(2) with the critical exponent 𝜈 = 0.663⁢(33) for the 3D 𝑂⁡(2) model. In addition, we also study the Berezinskii–Kosterlitz–Thouless (BKT) criticality of the 2D classical 𝑂⁡(2) model by extracting the helicity modulus from the twisted partition functions, and we obtain the BKT transition temperature, 𝑇 BKT = 0.8928⁢(2).

lattice field theory↗

Digital Twin Framework for PIP-II Linac: AI-Driven Multi-Scale Modeling from Ion Source to 800 MeV

The PIP-II linac will enable >1.2 MW beam power for DUNE, requiring unprecedented operational reliability across its warm front-end (RFQ, MEBT) and five distinct SRF sections operating at 162.5/325/650 MHz. We present a comprehensive digital twin framework uniquely combining a fully differentiable fast beam transport code with neural network surrogates trained on high-fidelity PIC simulations, capturing space charge and nonlinear dynamics beyond traditional envelope codes while achieving 10⁴ speedup at <1% accuracy. End-to-end differentiability enables gradient-based optimization across 500+ parameters simultaneously previously impossible with conventional tools while the model incorporates static/dynamic errors and serves as a virtual commissioning platform for diverse hardware integration. The framework facilitates reinforcement learning for pulsed/CW mode transitions, predictive maintenance through anomaly detection, and autonomous tuning algorithm development with real-time execution capability. Validation against physics simulations shows excellent agreement for the front-end, with initial results demonstrating potential for 30% commissioning time reduction and proactive fault mitigation, providing a scalable blueprint for operating next-generation high-intensity accelerators.

Pathak, Abhishek [Fermilab] (ORCID:000000021704208↗

The study of comets, part 1

Papers are presented dealing with observations of comets. Topic discussed include: photometry, polarimetry, and astrometry of comets; detection of water and molecular transitions in comets; ion motions in comet tails; determination of comet brightness and luminosity; and evolution of cometary orbits. Emphasis is placed on analysis of observations of comet Kohoutek.

Donn, B.↗

The relation between hard X-ray and transition-region line emission in solar flares

Observational evidence suggests that both the hard X-ray and ultraviolet emission from the impulsive phase of flares result from an electron beam. The results of model calculations that are consistent with this theory are presented. The impulsive phase is envisioned as occurring in many small magnetically confined loops, each of which maintains an electron beam for only a few seconds. This model successfully matches several observed aspects of the impulsive phase. The corona is heated to less than 2 million K, maximum enhanced emission occurs in lines formed near 100,000 K, and there is only slight enhancement between 100,000 and 2 million K. The slope of the observed relationship between hard X-ray and Ov 1371 A emission is also matched, but the relative emission is not. The calculations indicate that UV emission lines formed below a temperature of about 100,000 K will arise predominantly from the chromospheric region heated by the electron beam to transition region temperatures. Emission lines formed at higher temperatures will be produced in the transition region. This should be detectable in density-sensitive line ratios. To account successfully for the impulsive UV emission, the peak temperature in the impulsively heated loops must remain below about 2 million K. Thus the model implies that the impulsive heating takes place in different loops from the hotter gradual phase emission.

Mariska, J. T.↗

Recent observations of organic molecules in nearby cold, dark interstellar clouds

Recent investigations of the organic chemistry of relatively nearby cold, dark interstellar clouds are reported. Specifically, the presence of interstellar tricarbon monoxide (C3O) in Taurus Molecular Cloud 1 (TMC-1) is confirmed. The first detection in such regions of acetaldehyde (CH3CHO), the most complex oxygen-containing organic molecule yet found in dark clouds is reported, as well as the first astronomical detection of several molecular rotational transitions, including the J = 18-17 and 14-13 transitions of cyanodiacetylene (HC5N), the 1(01)-0(00) transition of acetaldehyde, and the J = 5-4 transition of C3O. A significant upper limit is set on the abundance of cyanocarbene (HCCN) as a result of the first reported interstellar search for this molecule.

Suzuki, H.↗

Efficient detection and signal parameter estimation with applications to high dynamic GPS receivers

A novel technique for simultaneously detecting data and estimating the parameters of a received carrier signal phase modulated by unknown data and experiencing very high Doppler, Doppler rate, etc. is discussed. Such a situation arises, for example, in the case of Global Positioning Systems (DPS) where the signal parameters are directly related to the position, velocity and acceleration of the GPS receiver. The proposed scheme is based upon first estimating the received signal local (data dependent) parameters over two consecutive bit periods, followed by the detection of a possible jump in these parameters. The presence of a detected jump signifies a data transition which is then removed from the received signal. This effectively demodulated signal is then processed to provide the estimates of global (data independent) parameters of the signal related to the position, velocity, etc. of the receiver. One of the key features of the proposed algorithm is the introduction of two different schemes which can provide an improvement of up to 3 dB over the conventional implementation of Kalman filter as applied to phase and frequency estimation, under low to medium signal-to-noise ratio conditions.

Kumar, R.↗

Abundance of interstellar carbon toward Zeta Ophiuchi

We report on the detection of the weak intersystem transition of semiforbidden C II 2325 A in the sight line toward Zeta Oph using the Ech-B mode of the Goddard High-Resolution Spectrograph. The measured equivalent width of the semiforbidden C II line is W(lambda) = 0.52 +/- 0.12 mA, implying a C II column density of 1.80 (+/- 0.42) x 10 exp 17 atoms/sq cm and (C/H) sub Zeta Oph = 1.32 (+/- 0.32) x 10 exp -4.

Cardell, Jason A.↗

The millimeter-wave spectrum of CaH (X 2Sigma(+))

The millimeter-wave spectrum of the CaH and CaD radicals (X 2Sigma(+)) has been observed in the laboratory via direct absorption spectroscopy. The species were generated by the reaction of calcium vapor, produced in a Broida-type oven, with hydrogen atoms created in a microwave discharge. The six hyperfine components of the N = 0 yields 1 rotational transition of CaH near 254 GHz were resolved and their frequencies determined to an accuracy of +/- 100 kHz. The main hyperfine lines originating in the N = 0 yields 1, 1 yields 2, and 2 yields 3 rotational transitions of CaD were also detected. Spectroscopic constants were determined for both radicals from a nonlinear least squares fit to the data, using a 2Sigma Hamiltonian. These measurements constitute the first laboratory observation of CaH at high spectral resolution, and are essential to the detection of this radical in interstellar space.

Barclay, W. L., Jr.↗

The effect of high-energy electron radiation on poly(arylene ether)s

Thin films of four experimental poly(arylene ether)s of similar chemical structure were exposed to 1 MeV electrons while under high vacuum. The films received total exposures of 5 x 10 exp 7 and 1 x 10 exp 9 rads at a dose rate of 5 x 10 exp 7 rads/h and a pressure of 2 x 10 exp -7 torr. Films exposed to 5 x 10 exp 7 rads showed dramatic changes in molecular weight distribution. After exposures of 1 x 10 exp 9 rads the films were only partially soluble in chloroform and exhibited no detectable changes in the glass transition temperatures. Thin-film tensile properties were also altered by the exposure to electron radiation. The effect of the exposures as determined by various analyses is discussed.

Connell, J. W.↗