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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Ultrafast kinetics of the antiferromagnetic-ferromagnetic phase transition in FeRh

Understanding how fast short-range interactions build up long-range order is one of the most intriguing topics in condensed matter physics. FeRh is a test specimen for studying this problem in magnetism, where the microscopic spin-spin exchange interaction is ultimately responsible for either ferro- or antiferromagnetic macroscopic order. Femtosecond laser excitation can induce ferromagnetism in antiferromagnetic FeRh, but the mechanism and dynamics of this transition are topics of intense debates. Employing double-pump THz emission spectroscopy has enabled us to dramatically increase the temporal detection window of THz emission probes of transient states without sacrificing any loss of resolution or sensitivity. It allows us to study the kinetics of emergent ferromagnetism from the femtosecond up to the nanosecond timescales in FeRh/Pt bilayers. Our results strongly suggest a latency period between the initial pump-excitation and the emission of THz radiation by ferromagnetic nuclei.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

How correlations change the magnetic structure factor of the kagome Hubbard model

The kagome Hubbard model (KHM) is a paradigmatic example of a frustrated two-dimensional model. While its strongly correlated regime, described by a Heisenberg model, is of topical interest due to its enigmatic prospective spin-liquid ground state, the weakly and moderately correlated regimes remain largely unexplored. Motivated by the rapidly growing number of metallic kagome materials (e.g., Mn 3 Sn, Fe 3 Sn 2 , FeSn, Co 3 Sn 2 S 2 , Gd 3 Ru 4 Al 12 , and AV 3 Sb 5 with A = K, Rb, Cs), here we study the respective regimes of the KHM by means of three complementary numerical methods: the dynamical mean-field theory, the dynamical vertex approximation, and determinant quantum Monte Carlo. In contrast to the archetypal square lattice, we find no tendencies toward magnetic ordering, as magnetic correlations remain short-range. Nevertheless, the magnetic correlations undergo a remarkable crossover as the system approaches the metal-to-insulator transition. The Mott transition itself does not affect the magnetic correlations. Our equal-time and dynamical structure factors can be used as a reference for inelastic neutron scattering experiments on the growing family of metallic kagome materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Nanoscale degeneracy lifting in a geometrically frustrated antiferromagnet

The local atomic and magnetic structures of the compounds A MnO 2 (A = Na, Cu), which realize a geometrically frustrated, spatially anisotropic triangular lattice of Mn spins, have been investigated by atomic and magnetic pair distribution function analysis of neutron total scattering data. Relief of frustration in CuMnO 2 is accompanied by a conventional cooperative symmetry-lowering lattice distortion driven by Néel order. In NaMnO 2 , however, the distortion has a short-range nature. A cooperative interaction between the locally broken symmetry and short-range magnetic correlations lifts the magnetic degeneracy on a nanometer length scale, enabling long-range magnetic order in the Na derivative. The degree of frustration, mediated by residual disorder, contributes to the rather differing pathways to a single, stable magnetic ground state in these two related compounds. This study demonstrates how nanoscale structural distortions that cause local-scale perturbations can lift the ground-state degeneracy and trigger macroscopic magnetic order.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Understanding the superconductivity and charge density wave interaction through quasi-static lattice fluctuations

In unconventional superconductors, coupled charge and lattice degrees of freedom can manifest in ordered phases of matter that are intertwined. In the cuprate family, fluctuating short-range charge correlations can coalesce into a longer-range charge density wave (CDW) order which is thought to intertwine with superconductivity, yet the nature of the interaction is still poorly understood. Here, by measuring subtle lattice fluctuations in underdoped YBa 2 Cu 3 O 6+y on quasi-static timescales (thousands of seconds) through X-ray photon correlation spectroscopy, we report sensitivity to both superconductivity and CDW. The atomic lattice shows remarkably faster relaxational dynamics upon approaching the superconducting transition at T c ≈ 65 K. By tracking the momentum dependence, we show that the intermediate scattering function almost monotonically scales with the relaxation distance of atoms away from their average positions above T c and in the presence of the CDW state, while this peculiar trend is reversed for other temperatures. These observations are consistent with an incipient CDW stabilized by local strain. This work provides insights into the crucial role of relaxational atomic fluctuations for understanding the electronic physics cuprates, which are inherently disordered due to carrier doping.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Geometrical Frustration and Planar Triangular Antiferromagnetism in Quasi-Three-Dimensional Artificial Spin Architecture

We present a realization of highly frustrated planar triangular antiferromagnetism achieved in a quasi-three-dimensional artificial spin system consisting of monodomain Ising-type nanomagnets lithographically arranged onto a deep-etched silicon substrate. We demonstrate how the three-dimensional spin architecture results in the first direct observation of long-range ordered planar triangular antiferromagnetism, in addition to a highly disordered phase with short-range correlations, once competing interactions are perfectly tuned. Finally, our work demonstrates how escaping two-dimensional restrictions can lead to new types of magnetically frustrated metamaterials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Nanosecond Structural Dynamics during Electrical Melting of Charge Density Waves in 1⁢T-TaS 2

Electrical control of charge density waves has been of immense interest, as the strong underlying electron-lattice interactions potentially open new, efficient pathways for manipulating their ordering and, consequently, their electronic properties. However, the transition mechanisms are often unclear as electric field, current, carrier injection, heat, and strain can all contribute and play varying roles across length scales and timescales. Here, we provide insight on how electrical stimulation melts the room temperature charge density wave order in 1T-TaS 2 by visualizing the atomic and mesoscopic structural dynamics from quasistatic to nanosecond pulsed melting. Using a newly developed ultrafast electron microscope setup with electrical stimulation, we reveal the order and strain dynamics during voltage pulses as short as 20 ns. The order parameter dynamics across a range of pulse amplitudes and durations support a thermally driven mechanism even for fields as high as 19 kV cm -1 . In addition, time-resolved imaging reveals a heterogeneous, mesoscopic strain response across the flake, including MHz-scale acoustic resonances that emerge during sufficiently short pulsed excitation which may modulate the order. In conclusion, these results suggest that metallic charge density wave phases like studied here may be more robust to electronic switching pathways than insulating ones, motivating further investigations at higher fields and currents in this and other related systems.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Magnetic properties of a spin-orbit entangled $J_{eff}$ = $\frac{1}{2}$ honeycomb lattice

The interplay between spin-orbit coupling, anisotropic magnetic interaction, frustration-induced quantum fluctuations, and spin correlations can lead to novel quantum states with exotic excitations in rare-earth-based quantum magnets. Herein, we present the crystal structure, magnetization, electron spin resonance (ESR), specific heat, and nuclear magnetic resonance (NMR) experiments on the polycrystalline samples of $\mathrm{Ba_9}$$\mathrm{Yb_2}$$\mathrm{Si_6}$$\mathrm{O_{24}}$, in which $\mathrm{Yb^{3+}}$ ions form a perfect honeycomb lattice without detectable antisite disorder. The magnetization data reveal antiferromagnetically coupled spin-orbit entangled $J_{eff}$ = $\frac{1}{2}$ degrees of freedom of $\mathrm{Yb^{3+}}$ ions in the Kramers doublet state. The ESR measurements reveal that the first excited Kramers doublet is 32.3(7) meV above the ground state. The specific heat results suggest the absence of any long-range magnetic order in the measured temperature range. Furthermore, the $\mathrm{^{29}Si}$ NMR results do not indicate any signature of magnetic ordering down to 1.6 K, and the spin-lattice relaxation rate reveals the presence of a field-induced gap that is attributed to the Zeeman splitting of the Kramers doublet state in this quantum material. Here, our experiments detect neither spin freezing nor long-range magnetic ordering down to 1.6 K. The current results suggest the presence of short-range spin correlations in this spin-orbit entangled $J_{eff}$ = $\frac{1}{2}$ rare-earth magnet on a honeycomb lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Lattice calculation of short-range contributions to neutrinoless double-beta decay 𝜋 − → 𝜋 + ⁢𝑒⁢𝑒 at physical pion mass

Neutrinoless double-beta (0⁢𝜈⁢𝛽⁢𝛽) decays provide an excellent probe for determining whether neutrinos are Dirac or Majorana fermions. The short-range matrix elements associated with the 𝜋 − → 𝜋 + ⁢𝑒⁢𝑒 process contribute at leading order in the 0⁢𝜈⁢𝛽⁢𝛽 decay channel 𝑛⁢𝑛 → 𝑝⁢𝑝⁢𝑒⁢𝑒 through pion exchange between nucleons. However, current lattice calculations show notable discrepancies in predicting these short-range contributions. To address this issue, we perform a lattice QCD calculation of the 𝜋 − → 𝜋 + ⁢𝑒⁢𝑒 matrix elements using domain wall fermion ensembles at the physical pion mass generated by the RBC/UKQCD Collaboration. To mitigate contamination from around-the-world effects, we develop a new method to reconstruct and subtract them directly from lattice data. We then perform nonperturbative renormalization in the regularization-independent symmetric momentum-subtraction scheme (RI/SMOM), using the (𝛾 𝜇 , 𝛾 𝜇 ) and ($\not{𝑞}$, $\not{𝑞}$) projectors. Compared with previous studies, this work reduces the uncertainties in the matrix elements and provides an independent cross-check that helps to reconcile the discrepancies among previous lattice calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1993

Advanced radiometric and interferometric milimeter-wave scene simulations

Smart munitions and weapons utilize various imaging sensors (including passive IR, active and passive millimeter-wave, and visible wavebands) to detect/identify targets at short standoff ranges and in varied terrain backgrounds. In order to design and evaluate these sensors under a variety of conditions, a high-fidelity scene simulation capability is necessary. Such a capability for passive millimeter-wave scene simulation exists at TRW. TRW's Advanced Radiometric Millimeter-Wave Scene Simulation (ARMSS) code is a rigorous, benchmarked, end-to-end passive millimeter-wave scene simulation code for interpreting millimeter-wave data, establishing scene signatures and evaluating sensor performance. In passive millimeter-wave imaging, resolution is limited due to wavelength and aperture size. Where high resolution is required, the utility of passive millimeter-wave imaging is confined to short ranges. Recent developments in interferometry have made possible high resolution applications on military platforms. Interferometry or synthetic aperture radiometry allows the creation of a high resolution image with a sparsely filled aperture. Borrowing from research work in radio astronomy, we have developed and tested at TRW scene reconstruction algorithms that allow the recovery of the scene from a relatively small number of spatial frequency components. In this paper, the TRW modeling capability is described and numerical results are presented.

Hauss, B. I.↗
DOE OSTI2020

Multimodal Analysis of Reaction Pathways of Cathode Materials for Lithium Ion Batteries

Conversion mechanism in lithium ion batteries provides higher capacity than intercalation mechanism since multiple numbers of electrons and lithium ions are associated. However, poor cycling stability, large voltage hysteresis, and low energy efficiency have been great challenges of conversion reaction. To address those issues, conversion-type electrode materials have been reformed via doping or substituting other elements. For example, iron fluorides (FeF 2 , FeF 3 ) have modified as iron oxyfluorides (FeF 1-x O x ), showing enhanced long-term stability. Furthermore, co-substituted (both anion and cation substituted) Fe 0.9 Co 0.1 OF (FeCoOF) was demonstrated excellent cycling stability. (capacity of 350 mAh g -1 at a current of 500 mA g -1 for 1000 cycles). Substituting anion and cation in iron fluoride has been suggested as an effective method to achieve better reversibility but understanding of lithiation reactions in co-substituted FeCoOF is not clear. This work takes advantage of ex-situ/ in-situ synchrotron X-ray based techniques and transmission electron microscopy to elucidate structural changes with lithium ion, which may provide fundamental insights into modifying conversion-type materials. Figure 1 presents discharge-charge curves and pair distribution function patterns acquired at each potential. As lithium ions were inserted, structural changes were noticed both at short-range and long-range. However, long-range ordering was nearly maintained even at 1 V, indicating absence of conversion reaction. Figure 2 shows lithiation induced structural evolution of a single FeCoOF nanorod observed in real time. As lithiation proceeds, the width of nanorods shows a stepwise increase, particularly A in figure 2d, which may indicate multiple steps of lithiation occur. Considering that conversion reaction takes place around 2 V in FeF 3 , co-substitution Co and O into iron fluoride may change thermodynamic features of lithiation reactions by lowering the initiation potential for conversion reaction. Instead, phase transformations occur at long-range order, which may help maintaining structural integrity during operation, eventually, achieving cycling stability.

25 ENERGY STORAGE↗
DOE OSTI2024

Predictive Complexity of Quantum Subsystems

We define predictive states and predictive complexity for quantum systems composed of distinct subsystems. This complexity is a generalization of entanglement entropy. It is inspired by the statistical or forecasting complexity of predictive state analysis of stochastic and complex systems theory but is intrinsically quantum. Predictive states of a subsystem are formed by equivalence classes of state vectors in the exterior Hilbert space that effectively predict the same future behavior of that subsystem for some time. As an illustrative example, we present calculations in the dynamics of an isotropic Heisenberg model spin chain and show that, in comparison to the entanglement entropy, the predictive complexity better signifies dynamically important events, such as magnon collisions. It can also serve as a local order parameter that can distinguish long and short range entanglement.

Asplund, Curtis T. (ORCID:0000000305575850)↗
NASA NTRS2005

Wake Vortex Tracking Using a 35 GHz Pulsed Doppler Radar

A 35 GHz, pulsed-Doppler radar system has been designed and assembled for wake vortex detection and tracking in low visibility conditions. Aircraft wake vortices continue to be an important factor in determining safe following distances or spacings for aircraft in the terminal area. Currently, under instrument meteorological conditions (IMC), aircraft adhere to conservative, fixed following-distance guidelines based primarily on aircraft weight classifications. When ambient conditions are such that vortices will either drift or dissipate, leaving the flight corridor clear, the prescribed spacings are unnecessarily long and result in decreased airport throughput. There is a potential for significant airport efficiency improvement, if a system can be employed to aid regulators and pilots in setting safe and efficient following distances based on airport conditions. The National Aeronautics and Space Administration (NASA), the Federal Aviation Agency, and Volpe National Transportation Systems Center have promoted and worked to develop systems that would increase airport capacity and provide for safe reductions in aircraft separation. The NASA Aircraft Vortex Spacing System (AVOSS), a wake vortex spacing system that can provide dynamic adjustment of spacings based on real-time airport weather conditions, has demonstrated that Lidar systems can be successfully used to detect and track vortices in clear air conditions. To fill the need for detection capability in low-visibility conditions, a 35 GHz, pulsed-Doppler radar system is being investigated for use as a complimentary, low-visibility sensor for wake vortices. The radar sensor provides spatial and temporal information similar to that provided by Lidar, but under weather conditions that a Lidar cannot penetrate. Currently, we are analyzing the radar design based upon the data and experience gained during the wake vortex Lidar deployment with AVOSS at Dallas/Fort Worth International Airport. As part of this study, two numerical models were utilized in system simulations. The results of this study improve our understanding of the method of detection, resolution requirements for range and azimuth, pulse compression, and performance prediction. Simulations applying pulse compression techniques show that detection is good in heavy fog to greater than 2000 m. Both compressed and uncompressed short pulses show the vortex structure. To explore operational challenges, siting and scanning strategies were also analyzed. Simulation results indicate that excellent wake vortex detection, tracking and classification is possible in drizzle (+15 dBZ) and heavy fog (- 13 dBZ) using short pulse techniques (<99ns) at ranges on the order of 900 m, with a modest power of 500 W output. At 1600 m, detection can be expected at reflectivities as low as -13 dBZ (heavy fog). The radar system, as designed and built, has the potential to support field studies of a wake vortex spacing system in low-visibility conditions ranging from heavy fog to rain, when sited within 2000m of the flight path.

Neece, Robert T.↗
NASA NTRS1977

Atmospheric model development in support of SEASAT. Volume 4: Forecast model sensitivity study

Atmospheric analysis and prediction models of varying (grid) resolution were developed. The models were tested using real observational data for the purpose of assessing the impact of grid resolution on short range numerical weather prediction. The work statement was amended to include the performance of sensitivity tests using a coarse mesh (63 x 63 x 5 level) prediction model in order to identify and order factors which might mask or impair the utility of SEASAT data on short range weather prediction. Such factors included: initial conditions; topography; surface friction; latent heating; diffusion of momentum and temperature; and computational devices such as tendency truncators, pressure smoothers, and temporal filters.

Lewit, H. L.↗
DOE OSTI2023

Toward observation of three-nucleon short-range correlations in high- Q 2 A ( e , e ' ) X reactions

Here, we present a detailed study of the kinematical and dynamical conditions necessary for probing highly elusive three-nucleon short-range correlations (3N-SRCs) in nuclei through inclusive electron scattering. The kinematic requirements that should be satisfied in order to isolate 3N-SRCs in inclusive processes are derived. We demonstrate that a sequence of two short-range NN interactions is the main mechanism for 3N-SRCs in such processes. With this mechanism we predict a quadratic dependence of the cross section ratios of nuclei to 3 He in the 3N-SRC region to the same ratio measured in the 2N-SRC domain. An extended analysis of the available data which satisfies the required 3N-SRC kinematical conditions is presented. This analysis reveals tantalizing signatures of the scaling associated with the onset of 3N-SRC dominance. The same data are also consistent with the prediction of the quadratic relation between the ratios measured in the 3N- and 2N-SRC regions for nuclei ranging 4≤A≤197. This agreement made it possible to extract a 3 ⁡(A), the probability of 3N-SRCs relative to the A=3 nucleus. We find a 3 ⁡(A) to be significantly larger in magnitude than the analogous parameter, a 2 ⁡(A), for 2N-SRCs.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Implementing Chiral Three-Body Forces in Terms of Medium-Dependent Two-Body Forces

Three-nucleon (3N) forces are an indispensable ingredient for accurate few-body and many- body nuclear structure and reaction theory calculations. While the direct implementation of chiral 3N forces can be technically very challenging, a simpler approach is given by employing instead a medium-dependent NN interaction V med that reflects the physics of three-body forces at the two-body normal-ordered approximation. We review the derivation and construction of Vmed from the chiral 3N interaction at next-to-next-to-leading order (N2LO), consisting of a long-range 2π-exchange term, a mid-range 1π-exchange component and a short-range contact-term. Several applications of V med to the equation of state of cold nuclear and neutron matter, the nucleon single-particle potential in nuclear matter, and the nuclear quasiparticle interaction are discussed. We also explore differences in using local vs. nonlocal regulating functions on 3N forces and make direct comparisons to exact results at low order in perturbation theory expansions for the equation of state and single-particle potential. We end with a discussion and numerical calculation of the in-medium NN potential V med from the next-to-next-to-next-to-leading order (N3LO) chiral 3N force, which consists of a series of long-range and short-range terms.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Short-Range Nematic Fluctuations in Sr 1-x Na x Fe 2 As 2 Superconductors

Interactions between nematic fluctuations, magnetic order and superconductivity are central to the physics of iron-based superconductors. Here we report on in-plane transverse acoustic phonons in hole-doped Sr 1-x Na x Fe 2 As 2 measured via inelastic x-ray scattering, and extract both the nematic susceptibility and the nematic correlation length. By a self-contained method of analysis, for the underdoped (x = 0.36) sample, which harbors a magnetically ordered tetragonal phase, we find it hosts a short nematic correlation length ξ ~ 10Å and a large nematic susceptibility Χ nem . The optimal-doped (x = 0.55) sample exhibits weaker phonon softening effects, indicative of both reduced xi and Χ nem . Overall, our results suggest short-range nematic fluctuations may favor superconductivity, placing emphasis on the nematic correlation length for understanding the iron-based superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Neutrinoless double β decay with light sterile neutrinos: the contact terms

We study neutrinoless double-beta decay in extensions of the Standard Model that include n right-handed neutrino singlets, with masses m s below the GeV scale. Generalizing recently developed matching methods, we determine the m s dependence of the short-range nn → pp couplings that appear to leading order in the chiral effective field theory description of neutrinoless double beta decay. We focus on two scenarios, corresponding to the minimal νSM and left-right symmetric models. We illustrate the impact of our new results in the case of the νSM, showing a significant impact on the neutrinoless double-beta decay half-life when m s is in the 200–800 MeV range.

effective field theories↗
DOE OSTI2026

Adsorption, charge transfer and a coverage-driven transition of alkali metals on rutile TiO 2 (110)

The interaction of alkali metals with metal oxide surfaces is central to tuning surface reactivity in heterogeneous catalysis and photocatalysis. Here we present a comprehensive DFT+U study of the adsorption of alkali metals (Li, Na, K, Rb, Cs) on the (110) surface of rutile TiO 2 . At low coverage (θ = 1/8), all alkali metals bind preferentially to bridging oxygen sites with adsorption energies in the range −4.06 to −3.33 eV, transferring nearly one full electron (0.92–0.99 |e|) to the substrate and inducing Ti 4+ → Ti 3+ reduction. The excess charge localizes preferentially at subsurface Ti sites in the form of small polarons. Diffusion barriers indicate facile motion along bridging-oxygen rows, whereas inter-row hopping is strongly hindered. Coverage effects were examined systematically for potassium: adsorption energy and charge transfer per K atom decrease monotonically with increasing θ. Strikingly, a sharp energy discontinuity occurs between θ = 4/8 and θ = 5/8 (ΔE ≈ 1 eV per atom), which we identify as a coverage-driven structural transition arising from steric packing constraints and enhanced K–K electrostatic repulsion once every (1×1) surface cell is occupied. This structural transition perfectly correlates with a dramatic drop in the work function down to an ultra-low minimum of 0.84 eV at θ=5/8, followed by a metallization- driven recovery at higher coverages. Ab initio molecular dynamics simulations confirm zigzag K arrangements at moderate coverage (θ = 1/3), while at high coverage (θ = 2/3) short-range K–K correlations emerge without long-range order. These results provide atomistic insight into the structure–activity relationships underlying alkali promotion effects on oxide-supported catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗