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DOE OSTI2025

Significant acceleration of solid-state NMR simulations via three-angle powder averaging

The anisotropic frequency shifts imparted onto the NMR resonance frequency depend on the spherical angular coordinates that describe the orientations of the NMR interaction tensors with respect to the applied magnetic field direction. Experiments performed using magic-angle spinning, however, gain a dependence on a third angle: the rotor phase γ. Traditionally, a carousel average is performed to integrate over γ, which leads to a slow convergence of intensities without contributing to the underlying powder patterns. Herein, we show an order of magnitude acceleration in computation time may be obtained by including the γ-averaging into the main powder average to eliminate redundant calculation of resonance frequencies.

magic-angle spinning↗

NASA NTRS2011

Wheel-Based Ice Sensors for Road Vehicles

Wheel-based sensors for detection of ice on roads and approximate measurement of the thickness of the ice are under development. These sensors could be used to alert drivers to hazardous local icing conditions in real time. In addition, local ice-thickness measurements by these sensors could serve as guidance for the minimum amount of sand and salt required to be dispensed locally onto road surfaces to ensure safety, thereby helping road crews to utilize their total supplies of sand and salt more efficiently. Like some aircraft wing-surface ice sensors described in a number of previous NASA Tech Briefs articles, the wheelbased ice sensors are based, variously, on measurements of changes in capacitance and/or in radio-frequency impedance as affected by ice on surfaces. In the case of ice on road surfaces, the measurable changes in capacitance and/or impedance are attributable to differences among the electric permittivities of air, ice, water, concrete, and soil. In addition, a related phenomenon that can be useful for distinguishing between ice and water is a specific transition in the permittivity of ice at a temperature- dependent frequency. This feature also provides a continuous calibration of the sensor to allow for changing road conditions. Several configurations of wheel-based ice sensors are under consideration. For example, in a simple two-electrode capacitor configuration, one of the electrodes would be a circumferential electrode within a tire, and the ground would be used as the second electrode. Optionally, the steel belts that are already standard parts of many tires could be used as the circumferential electrodes. In another example (see figure), multiple electrodes would be embedded in rubber between the steel belt and the outer tire surface. These electrodes would be excited in alternating polarities at one or more suitable audio or radio frequencies to provide nearly continuous monitoring of the road surface under the tire. In still another example, one or more microwave stripline(s) or coplanar waveguide(s) would be embedded in a tire near its outer surface; in comparison with lower-frequency capacitive devices, a device of this type could be more sensitive.

Arndt, G. Dickey↗

DOE OSTI2013

Variation of Langmuir wave polarization with electron beam speed in type III radio bursts

Observations by the twin STEREO spacecraft of in-situ electric field waveforms and radio signatures associated with type III radio bursts have demonstrated that the polarization of electron beam-driven waves near the local plasma frequency depends strongly on the speed of the driving electron beam. We expand upon a previous study by including all radio bursts with in-situ waveforms observed by STEREO in 2011. The expanded data set contains five times more radio bursts (35 up from 7) and three times as many Langmuir waves (663 up from 168). While this expanded study supports the results of the original study, that faster (slower) beam electrons drive waves with strong (weak) electric fields perpendicular to the local magnetic field, the larger data set emphasizes that the observation of strong perpendicular electric fields at high electron beam speeds is probabilistic rather than definite. This property supports the interpretation of wave polarization dependence on beam speed as Langmuir/z-mode waves shifted to small wave number through interaction with turbulent solar wind density fluctuations.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Noninvasive measurements of spin transport properties of an antiferromagnetic insulator

Antiferromagnetic insulators (AFIs) are of substantial interest because of their potential in the development of next-generation spintronic devices. One major effort in this emerging field is to harness AFIs for long-range spin information communication and storage. Here, we report a noninvasive method to optically access the intrinsic spin transport properties of an archetypical AFI α-Fe 2 O 3 via nitrogen-vacancy (NV) quantum spin sensors. By NV relaxometry measurements, we successfully detect the frequency-dependent dynamic fluctuations of the spin density of α-Fe 2 O 3 along the Néel order parameter, from which an intrinsic spin diffusion constant of α-Fe 2 O 3 is experimentally measured in the absence of external spin biases. Our results highlight the significant opportunity offered by NV centers in diagnosing the underlying spin transport properties in a broad range of high-frequency magnetic materials such as two-dimensional magnets, spin liquids, and magnetic Weyl semimetals, which are challenging to access by the conventional measurement techniques.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2015

Frequency splitter based on the directional emission from surface modes in dielectric photonic crystal structures

We demonstrate the numerical design and the experimental validation of frequency dependent directional emission from a dielectric photonic crystal structure. The wave propagates through a photonic crystal line-defect waveguide, while a surface layer at the termination of the photonic crystal enables the excitation of surface modes and a subsequent grating layer transforms the surface energy into outgoing propagating waves of the form of a directional beam. Furthermore, the angle of the beam is controlled by the frequency and the structure operates as a frequency splitter in the intermediate and far field region.

42 ENGINEERING↗

NASA NTRS2006

Sensitivity of Passive Microwave Snow Depth Retrievals to Weather Effects and Snow Evolution

Snow fall and snow accumulation are key climate parameters due to the snow's high albedo, its thermal insulation, and its importance to the global water cycle. Satellite passive microwave radiometers currently provide the only means for the retrieval of snow depth and/or snow water equivalent (SWE) over land as well as over sea ice from space. All algorithms make use of the frequency-dependent amount of scattering of snow over a high-emissivity surface. Specifically, the difference between 37- and 19-GHz brightness temperatures is used to determine the depth of the snow or the SWE. With the availability of the Advanced Microwave Scanning Radiometer (AMSR-E) on the National Aeronautics and Space Administration's Earth Observing System Aqua satellite (launched in May 2002), a wider range of frequencies can be utilized. In this study we investigate, using model simulations, how snow depth retrievals are affected by the evolution of the physical properties of the snow (mainly grain size growth and densification), how they are affected by variations in atmospheric conditions and, finally, how the additional channels may help to reduce errors in passive microwave snow retrievals. The sensitivity of snow depth retrievals to atmospheric water vapor is confirmed through the comparison with precipitable water retrievals from the National Oceanic and Atmospheric Administration's Advanced Microwave Sounding Unit (AMSU-B). The results suggest that a combination of the 10-, 19-, 37-, and 89-GHz channels may significantly improve retrieval accuracy. Additionally, the development of a multisensor algorithm utilizing AMSR-E and AMSU-B data may help to obtain weather-corrected snow retrievals.

Markus, Thorsten↗

NASA NTRS1999

Expression of Novel Gene Products Upregulated by Disuse is Normalized by an Osteogenic Mechanical Stimulus: Evidence for the Molecular Basis of a Low Level Biomechanical Countermeasure for Osteoporosis?

The National Research Council's report entitled: A Strategy for Space Biology and Medical Science, highlighted several areas of fundamental scientific investigation which must be addressed to make long-term space exploration not only feasible, but safe. This "Goldberg Strategy," as well as several subsequent reports published by the NRC's Space Studies Board (e.g., Assessment of Programs in Space Biology and Medicine, Smith et. al., 1991), suggests that the principal hurdle to man's extended presence in space is the osteopenia which parallels reduced gravity. Ironically, the most significant risk to the skeleton may only be realized on return to normal gravitational fields, and full recovery of bone mass may never occur. Effective counter-measures to this microgravity induced bone loss are thus essential. Considering the similarities of space and aging induced osteopenia, an indisputable benefit of such a prophylaxis would be its potential as a treatment for the bone loss which plagues over 25 million people in the U.S. The osteogenic potential of mechanical strain is strongly frequency dependent, with sensitivity increasing up through at least 60 Hz (cycles per second). One hundred seconds per day of a 1 Hz cyclic loading will inhibit disuse osteopenia only if sufficient in magnitude to engender 1000 microstrain (mu(epsilon)) in the tissue. When loading is applied at 30 Hz, however, mechanical strains on the order of 5O mu(epsilon) (approx. 1% of the peak strains which occur in bone during vigorous functional activity), can stimulate bone formation in a duration dependent manner. In longer term animal studies, strains of less than 10 mu(epsilon), induced non-invasively via a whole body vibration, will stimulate bone formation on the surfaces of trabeculae, increase bone density, and improve strength. Finally, preliminary results from a double blind prospective clinical trial shows promise in inhibiting the bone loss which parallels the menopause. Based on these observations, we propose that these high frequency, low magnitude, mechanical strains effectively serve as a "surrogate" for musculoskeletal ground reaction forces, and thus represent an ideal countermeasure to the osteopenia which parallels microgravity conditions. The specific goal of this NASA funded work is to identify genes in bone upregulated by disuse, and to determine the efficacy of an osteogenic mechanical stimulus to downregulate their expression.

Rubin, C.↗

DOE OSTI2020

Bulk modulus measurement at mHz frequencies and high-pressure using synchrotron x-ray radiation

We report an experimental protocol for measuring the frequency dependence of the bulk modulus carried out in a synchrotron x-ray facility based multi-anvil high-pressure apparatus. An oscillating pressure perturbation characterized by x-ray diffraction produces a volume strain measured by imaging. Together, these yield the bulk modulus of the sample. In this work, we report data at 3 mHz as an example of the possibility of providing these data for the frequency range of 1 mHz–100 mHz.

47 OTHER INSTRUMENTATION↗

DOE OSTI2018

Ferromagnetism versus slow paramagnetic relaxation in Fe-doped Li 3 N

We report on isothermal magnetization, Mössbauer spectroscopy, and magnetostriction as well as temperature-dependent alternating-current (ac) susceptibility, specific heat, and thermal expansion of single crystalline and polycrystalline Li 2 ( Li 1-x Fe x ) N with x = 0 and x ≈ 0.30 . Magnetic hysteresis emerges at temperatures below T ≈ 50 K with coercivity fields of up to μ 0 H = 11.6 T at T = 2 K and magnetic anisotropy energies of 310 K (27 meV). The ac susceptibility is strongly frequency-dependent (f = 10 – 10 000 Hz) and reveals an effective energy barrier for spin reversal of Δ E ≈ 1100 K (90 meV). The relaxation times follow Arrhenius behavior for T > 25 K . For T < 10 K , however, the relaxation times of τ ≈ 10 10 s are only weakly temperature-dependent, indicating the relevance of a quantum tunneling process instead of thermal excitations. The magnetic entropy amounts to more than 25 J mol -1 Fe K -1 , which significantly exceeds R ln 2 , the value expected for the entropy of a ground-state doublet. Thermal expansion and magnetostriction indicate a weak magnetoelastic coupling in accordance with slow relaxation of the magnetization. The classification of Li 2 ( Li 1-x Fe x ) N as ferromagnet is stressed and contrasted with highly anisotropic and slowly relaxing paramagnetic behavior.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Inverse design for waveguide dispersion with a differentiable mode solver

Inverse design of optical components based on adjoint sensitivity analysis has the potential to address the most challenging photonic engineering problems. However, existing inverse design tools based on finite-difference-time-domain (FDTD) models are poorly suited for optimizing waveguide modes for adiabatic transformation or perturbative coupling, which lies at the heart of many important photonic devices. Among these, dispersion engineering of optical waveguides is especially challenging in ultrafast and nonlinear optical applications involving broad optical bandwidths and frequency-dependent anisotropic dielectric material response. In this work, we develop gradient back-propagation through a general-purpose electromagnetic eigenmode solver and use it to demonstrate waveguide dispersion optimization for second harmonic generation with maximized phase-matching bandwidth. This optimization of three design parameters converges in eight steps, reducing the computational cost of optimization by ∼100x compared to exhaustive search and identifying new designs for broadband optical frequency doubling of laser sources in the 1.3–1.4 µm wavelength range. Furthermore, we demonstrate that the computational cost of gradient back-propagation is independent of the number of parameters, as required for optimization of complex geometries. This technique enables practical inverse design for a broad range of previously intractable photonic devices.

Gray, Dodd (ORCID:000000030469599X)↗

NASA NTRS1989

Influence of impeller shroud forces on turbopump rotor dynamics

The shrouded-impeller leakage path forces calculated by Childs (1987) have been analyzed to answer two questions. First, because of certain characteristics of the results of Childs, the forces could not be modeled with traditional approaches. Therefore, an approach has been devised to include the forces in conventional rotordynamic analyses. The forces were approximated by traditional stiffness, damping and inertia coefficients with the addition of whirl-frequency-dependent direct and cross-coupled stiffness terms. The forces were found to be well-modeled with this approach. Finally, the effect these forces had on a simple rotor-bearing system was analyzed, and, therefore, they, in addition to seal forces, were applied to a Jeffcott rotor. The traditional methods of dynamic system analysis were modified to incorporate the impeller forces and yielded results for the eigenproblem, frequency response, critical speed, transient response and an iterative technique for finding the frequency of free vibration as well as system stability. All results lead to the conclusion that the forces have little influence on natural frequency but can have appreciable effects on system stability. Specifically, at higher values of fluid swirl at the leakage path entrance, relative stability is reduced. The only unexpected response characteristics that occurred are attributed to the nonlinearity of the model.

Williams, Jim P.↗

DOE OSTI2014

Tidal dissipation in a homogeneous spherical body. II. Three examples: Mercury, Io, and Kepler-10 b

In Efroimsky and Makarov (Paper I), we derived from the first principles a formula for the tidal heating rate in a homogeneous sphere, compared it with the previously used formulae, and noted the differences. Now we present case studies: Mercury, Kepler-10 b, and a triaxial Io. A sharp frequency dependence of k {sub 2}/Q near spin-orbit resonances yields a sharp dependence of k {sub 2}/Q (and, therefore, of tidal heating) upon the spin rate. Thereby physical libration plays a major role in tidal heating of synchronously rotating planets. The magnitude of libration in the spin rate being defined by the planet's triaxiality, the latter becomes a factor determining the dissipation rate. Other parameters equal, a strongly triaxial synchronized body generates more heat than a similar body of a more symmetrical shape. After an initially triaxial object melts and loses its triaxiality, dissipation becomes less intensive; the body can solidify, with the tidal bulge becoming a new figure with triaxiality lower than the original. We derive approximate expressions for the dissipation rate in a Maxwell planet with the Maxwell time longer than the inverse tidal frequency. The expressions derived pertain to the 1:1 and 3:2 resonances and a nonresonant case; so they are applicable to most close-in super-Earths detected. In these planets, the heating outside synchronism is weakly dependent on the eccentricity and obliquity, provided both these parameters's values are moderate. According to our calculation, Kepler-10 b could hardly survive the intensive tidal heating without being synchronized, circularized, and reshaped through a complete or partial melt-down.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Space-Time Quantum Information from the Entangled States of Magnetic Molecule (STI Product)

This collaborative project combines synthesis, measurement, and theory by three faculty members at the Eddleman Quantum Institute of UC Irvine to effectively investigate the quantum properties of molecules in the space, time, and frequency domains. Through synthetic chemistry, molecules are tailored for their magnetic and coherent properties. By combining femtosecond (fs) terahertz (THz) light and a continuous wave (cw) THz laser with a low temperature scanning tunneling microscope (STM), quantum phenomena are probed with simultaneous femtosecond temporal and atomic-scale spatial resolution. In particular, the invention of the quantum superposition microscope (QSM) advances quantum sensing for enhanced spectroscopy and imaging capabilities. Coupling theory to the experimental efforts offers a deeper understanding and predictive power for the molecular systems. The phenomena of superposition, entanglement, and coherence is central to quantum information science and can be realized in qubit states. Many systems can be modeled by a double-well potential in which two levels are formed in the two lowest energy states interacting with the environment and external radiation. In focusing on molecules as two-level systems, the underlying expectation is that their tunable composition and structure allows an effective parameter space to optimize their use as qubits for quantum sensing and computing. The THz radiation induces the superposition between the two states, appearing as temporal oscillations that damp in amplitude. Enhanced spectroscopy and imaging in the time and frequency domains is achieved through the extreme sensitivity of the frequency and damping of coherence of two-level systems to its environment. A single hydrogen molecule trapped in the STM tunneling gap experiences a double-well potential and absorption of THz femtosecond pulses of light creates the superposition of its two levels, appearing as damped oscillations in the light induced direct current (DC). The oscillation frequency depends sensitively on the electric field distribution of the copper nitride (Cu 2 N) surface, through the Stark effect, and associated with the different charge distributions at the copper and nitrogen sites and in between. This QSM can resolve variation in the surface electric field with 0.02 nanometer resolution. In addition, the single hydrogen molecule entaes with nearby hydrogen molecules as seen in the avoided level crossings of energy (oscillation frequency) versus the voltage across the tunneling gap. Thus, the first application of the QSM senses and images the surface electric field at the atomic scale. Results from this project advance fundamental understanding of quantum phenomena, develop novel synthesis, measurement, and theory, provide the knowledge foundation for molecule-based qubits and sensing that enable the development of the QSM and emergent technologies. This project trained researchers in quantum information science, extended knowledge in classrooms, and outreached to the community.

47 OTHER INSTRUMENTATION↗

NASA NTRS1974

Interstellar scattering of the Vela pulsar

The frequency dependence of the parameters of interstellar scattering between 837 and 8085 MHz for the Vela pulsar are consistent with thin-screen models of strong scattering. The magnitudes of the parameters indicate an anomalous turbulence along the path when they are compared with results for other pulsars with comparable column densities of free electrons in the line of sight. This anomaly is due presumably to the Gum Nebula. The decorrelation frequency, appropriately defined, is related to the pulse broadening time by 2 pi as predicted theoretically.

Backer, D. C.↗

NASA NTRS1991

Characterization of and sensor-model verification and control of the properties of PMR-13 during processing

This study presents an in situ sensor and a process-simulation model developed for monitoring and controlling the cure process of PMR-15. The time-temperature dependence of the buildup in the molecular network structure, extent of reaction, viscosity, flow, and consolidation during the cure of PMR-15 are discussed. The relationship of the time-temperature cycle used during imidization to the length of the endcapped chains formed is examined. The relationship of the time-temperature cure-processing cycle to the reaction kinetics, viscosity, flow, and consolidation during crosslinking is analyzed using frequency-dependent electromagnetic sensors and the Loos processing model. Application of the FDEMS sensing technique and the process-simulation model for quality assurance processing and automated on-line control of cure is discussed.

Kranbuehl, D.↗

NASA NTRS2021

Local Ultrasonic Resonance Spectroscopy of Lithium Metal Batteries for Aerospace Applications

As next-generation aircraft and vehicles continue to develop, so do their associated energy demands. Lithium metal batteries are a leading candidate to fulfill this energy requirement, but these batteries are prone to internal dendrite defects that can lead to catastrophic thermal runaway events. Current battery management systems are capable of mitigating such risks, but are unable to detect such defects until thermal runaway has already begun. Various nondestructive evaluation (NDE) techniques, particularly ultrasonic NDE, can directly monitor internal battery parameters giving them the potential to detect critical defects prior to catastrophic failure. However, most of the current battery NDE research has focused on improved battery state-of-charge (SOC) and stateof- health (SOH) monitoring with little emphasis on critical defect detection. Thus, a measurement technique sensitive to subtle battery defects is needed. In addition, the complex mechanics of ultrasound in porous, thin, multilayered batteries prompt the use of physics-based simulation to guide inspections. In this work, an ultrasonic NDE technique has been developed utilizing frequency domain analysis of local battery resonances to detect the presence of battery defects. This technique is a practical extension of local ultrasonic resonance spectroscopy (LURS) – which previously required non-contact laser ultrasonics – to measurements with piezoelectric contact and immersion scan transducers. To extend the technique to work with piezoelectric transducers, ultrasonic battery measurements were compared to a sans-battery calibration measurement. Then, a linear systems deconvolution was used to eliminate the transfer functions of extraneous factors such as the transducer and electronics, leaving only the frequency-dependent battery reflection coefficient. The LURS technique was first validated on stainless steel and aluminum plates, producing reflection coefficients in line with analytical and numerical finite element modeling (FEM) results. Functioning Li-metal pouch cells were then seeded with lithium chip defects prior to LURS measurements. The presence of these defects is shown to cause a measurable shift in the battery’s through-thickness local resonances. 2D, frequency-domain poroelastic models of ultrasonic propagation in a single-cell lithium metal pouch battery were created and corroborated these findings. Thus, this work has both extended and proven the feasibility of the LURS technique in the detection of local battery defects.

Ultrasound↗

DOE OSTI2022

Estimating the impact of foregrounds on the future detection of Rayleigh scattering

Rayleigh scattering of the cosmic microwave background (CMB) by neutral hydrogen shortly after recombination leaves frequency-dependent imprints on intensity and polarization fluctuations. High signal-to-noise observations of CMB Rayleigh scattering would provide additional insight into the physics of recombination, including greater constraining power for parameters like the primordial helium fraction, the light relic density, and the sum of neutrino masses. However, such a measurement of CMB Rayleigh scattering is challenging due to the presence of astrophysical foregrounds, which are more intense at the high frequencies, where the effects of Rayleigh scattering are most prominent. Here we forecast the detectability of CMB Rayleigh scattering including foreground removal using blind internal linear combination methods for a set of near-future surveys. Furthermore, we show that atmospheric effects for ground-based observatories and astrophysical foregrounds pose a significant hindrance to detecting CMB Rayleigh scattering with experiments planned for this decade, though a high-significance measurement should be possible with a future CMB satellite.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2016

SU-F-I-14: 3D Breast Digital Phantom for XACT Imaging

Purpose: The X-ray induced acoustic computed tomography (XACT) is a new imaging modality which combines X-ray contrast and high ultrasonic resolution in a single modality. Using XACT in breast imaging, a 3D breast volume can be imaged by only one pulsed X-ray radiation, which could dramatically reduce the imaging dose for patients undergoing breast cancer screening and diagnosis. A 3D digital phantom that contains both X-ray properties and acoustic properties of different tissue types is indeed needed for developing and optimizing the XACT system. The purpose of this study is to offer a realistic breast digital phantom as a valuable tool for improving breast XACT imaging techniques and potentially leading to better diagnostic outcomes. Methods: A series of breast CT images along the coronal plane from a patient who has breast calcifications are used as the source images. A HU value based segmentation algorithm is employed to identify breast tissues in five categories, namely the skin tissue, fat tissue, glandular tissue, chest bone and calcifications. For each pixel, the dose related parameters, such as material components and density, and acoustic related parameters, such as frequency-dependent acoustic attenuation coefficient and bandwidth, are assigned based on tissue types. Meanwhile, other parameters which are used in sound propagation, including the sound speed, thermal expansion coefficient, and heat capacity are also assigned to each tissue. Results: A series of 2D tissue type image is acquired first and the 3D digital breast phantom is obtained by using commercial 3D reconstruction software. When giving specific settings including dose depositions and ultrasound center frequency, the X-ray induced initial pressure rise can be calculated accordingly. Conclusion: The proposed 3D breast digital phantom represents a realistic breast anatomic structure and provides a valuable tool for developing and evaluating the system performance for XACT.

60 APPLIED LIFE SCIENCES↗