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NASA NTRS2007

Methods of Attenuation Correction for Dual-Wavelength and Dual-Polarization Weather Radar Data

In writing the integral equations for the median mass diameter and number concentration, or comparable parameters of the raindrop size distribution, it is apparent that the forms of the equations for dual-polarization and dual-wavelength radar data are identical when attenuation effects are included. The differential backscattering and extinction coefficients appear in both sets of equations: for the dual-polarization equations, the differences are taken with respect to polarization at a fixed frequency while for the dual-wavelength equations, the differences are taken with respect to frequency at a fixed polarization. An alternative to the integral equation formulation is that based on the k-Z (attenuation coefficient-radar reflectivity factor) parameterization. This-technique was originally developed for attenuating single-wavelength radars, a variation of which has been applied to the TRMM Precipitation Radar data (PR). Extensions of this method have also been applied to dual-polarization data. In fact, it is not difficult to show that nearly identical equations are applicable as well to dualwavelength radar data. In this case, the equations for median mass diameter and number concentration take the form of coupled, but non-integral equations. Differences between this and the integral equation formulation are a consequence of the different ways in which attenuation correction is performed under the two formulations. For both techniques, the equations can be solved either forward from the radar outward or backward from the final range gate toward the radar. Although the forward-going solutions tend to be unstable as the attenuation out to the range of interest becomes large in some sense, an independent estimate of path attenuation is not required. This is analogous to the case of an attenuating single-wavelength radar where the forward solution to the Hitschfeld-Bordan equation becomes unstable as the attenuation increases. To circumvent this problem, the equations can be expressed in the form of a final-value problem so that the recursion begins at the far range gate and proceeds inward towards the radar. Solving the problem in this way traditionally requires estimates of path attenuation to the final gate: in the case of orthogonal linear polarizations, the attenuations at horizontal and vertical polarizations (same frequency) are required while in the dual-wavelength case, attenuations at the two frequencies (same polarization) are required.

Meneghini, R.↗

NASA NTRS1985

Vibration analysis of rotating turbomachinery blades by an improved finite difference method

The problem of calculating the natural frequencies and mode shapes of rotating blades is solved by an improved finite difference procedure based on second-order central differences. Lead-lag, flapping and coupled bending-torsional vibration cases of untwisted blades are considered. Results obtained by using the present improved theory have been observed to be close lower bound solutions. The convergence has been found to be rapid in comparison with the classical first-order finite difference method. While the computational space and time required by the present approach is observed to be almost the same as that required by the first-order theory for a given mesh size, accuracies of practical interest can be obtained by using the improved finite difference procedure with a relatively smaller matrix size, in contrast to the classical finite difference procedure which requires either a larger matrix or an extrapolation procedure for improvement in accuracy.

Subrahmanyam, K. B.↗

NASA NTRS2005

Implanted Silicon Resistor Layers for Efficient Terahertz Absorption

Broadband absorption structures are an essential component of large format bolometer arrays for imaging GHz and THz radiation. We have measured electrical and optical properties of implanted silicon resistor layers designed to be suitable for these absorbers. Implanted resistors offer a low-film-stress, buried absorber that is robust to longterm aging, temperature, and subsequent metals processing. Such an absorber layer is readily integrated with superconducting integrated circuits and standard micromachining as demonstrated by the SCUBA II array built by ROE/NIST (1). We present a complete characterization of these layers, demonstrating frequency regimes in which different recipes will be suitable for absorbers. Single layer thin film coatings have been demonstrated as effective absorbers at certain wavelengths including semimetal (2,3), thin metal (4), and patterned metal films (5,6). Astronomical instrument examples include the SHARC II instrument is imaging the submillimeter band using passivated Bi semimetal films and the HAWC instrument for SOFIA, which employs ultrathin metal films to span 1-3 THz. Patterned metal films on spiderweb bolometers have also been proposed for broadband detection. In each case, the absorber structure matches the impedance of free space for optimal absorption in the detector configuration (typically 157 Ohms per square for high absorption with a single or 377 Ohms per square in a resonant cavity or quarter wave backshort). Resonant structures with -20% bandwidth coupled to bolometers are also under development; stacks of such structures may take advantage of instruments imaging over a wide band. Each technique may enable effective absorbers in imagers. However, thin films tend to age, degrade or change during further processing, can be difficult to reproduce, and often exhibit an intrinsic granularity that creates complicated frequency dependence at THz frequencies. Thick metal films are more robust but the requirement for patterning can limit their absorption at THz frequencies and their heat capacity can be high. patterned absorber structures that offer low heat capacity, absence of aging, and uniform, predictable behavior at THz frequencies. We have correlated DC electrical and THz optical measurements of a series of implanted layers and studied their frequency dependence of optical absorption from .3 to 10 THz at cryogenic temperatures. We have modeled the optical response to determine the suitability of the implanted silicon resistor as a function of resistance in the range 10 Ohms/sq to 300 Ohms/sq.

Chervenak, J. A.↗

DOE OSTI2025

Analysis of Seismic Wave Amplification in Sedimentary Basins Using 3D Wavefield Simulations: Nenana Basin, Central Alaska

We investigate seismic wave amplification in Nenana basin, central Alaska, using 3D seismic wavefield simulations. We quantify frequency-dependent amplification by comparing synthetic seismograms among four different seismic velocity models: (a) a tomographic model, (b) a tomographic model with the uppermost 6.5 km replaced by a 1D basin profile, (c) a tomographic model with an embedded ellipsoidal basin, and (d) a tomographic model with an embedded realistic basin. For each model we perform wavefield simulations accurate up to 2 Hz for a set of 10 different earthquakes, which provide a range of frequencies and incident angles for waves interacting with the basin. Average amplification ratios are four on the horizontal components and seven on the vertical component. The dominant influence of the amplification is the 3D geometry of the basin, not the slow-velocity profile near the surface. Our synthetic amplification ratios are in general agreement with amplification estimates obtained from 14 stations that recorded the same set of earthquakes. Our approach offers a general strategy for documenting frequency-dependent basin amplification for a region with realistic basin structures and local earthquakes.

Geosciences↗

DOE OSTI2022

Acoustic Data Analytics For Predictive Technologies

The software utilizes frequency, amplitude, and phase features from sensor signals (either raw or processed) that are extracted using recursive frequency analysis, enabling (1) understanding of reactor operations under different operating conditions, (2) identifying of quiescent frequency ranges for sensor development, (3) system controls (4) predictive analytics, (5) structural health monitoring, and (6) loose part monitoring.

Smith, JamesA.↗

NASA NTRS1973

Resonant oscillations of intermediate frequency in a stratified atmosphere.

A class of solutions to a model of forced oscillations in a rotating stratified atmospheric layer is derived and analyzed. The basic model is found to reduce to a boundary value problem with a second-order linear partial differential equation of the hyperbolic type for this range of forcing frequencies. The forced solutions are shown to exhibit resonances with the normal modes of oscillation of the layer. The characteristics of the resonant modes are analyzed in terms of mean tropospheric values of temperature, temperature lapse, wind speed, horizontal and vertical wind shears, latitude, and the frequency and horizontal wavelength of the forcing mechanism. These solutions are compared with solutions to the model for a different (subinertial) range of forcing frequencies. This comparison leads to an elliptic boundary value problem. The solutions in that case do not exhibit the same type of resonance and generally decay away from the region of forcing.

Thompson, O. E.↗

NASA NTRS1979

Determination of the time delay in the case of two-path propagation on the basis of the attenuation characteristics for two adjacent frequencies

Pronounced fading occurring in the line of sight radio links at frequencies below 10 GHz can be traced to the effects of multipath propagation. Modulation disturbances depend on travel time differences between the direct wave and the wave which is reflected at atmospheric layers. A method described for the determination of the time delay is based on an indirect approach which utilizes the difference in fading at various frequencies. The method was employed in measurements involving a distance of 181 km. The results obtained in the measurement are discussed.

Gilroi, H. G.↗

DOE OSTI2026

What Technical Choices Matter to Characterize Heat Wave and Cold Snap Events in Support of Bulk Power Grid Reliability Studies?

Extreme weather events, such as Heat Waves (HW) and Cold Snaps (CS), pose significant risks to the power grid. The United States (U.S.) Federal Energy Regulatory Commission Order No. 896 mandates regional coordination standards that account for extreme thermal events. However, the lack of a universal definition for extreme thermal events may lead to inconsistent compliance efforts among neighboring entities, undermining the reliability of the transmission system. This study directly addresses this challenge by systematically evaluating how varying technical choices in defining HW and CS fundamentally impact the characterization and ranking of extreme events for power grid reliability studies. We used 12 event definitions and multiple temperature spatial aggregation approaches to construct historical (1980–2024) regional extreme thermal event libraries across North American Electric Reliability Corporation (NERC) subregions in the conterminous U.S. We examined the sensitivity of event characteristics (e.g., duration, frequency, intensity, and spatial coverage) to different definitions. While some definitions produced similar libraries and top event rankings, definitions based on moving-window-averaged temperatures yielded markedly different characteristics. Spatial aggregation methods had minimal impact on heat wave or cold snap intensity, frequency and duration but significantly influenced spatial coverage. The top events identified across different aggregation methods were consistent, but their ranking order varied. These findings offer critical insights for characterizing and selecting extreme thermal events and for supporting local and cross-regional coordination as required by reliability standards.

Wan, Heng [Pacific Northwest National Laboratory (↗

DOE OSTI2023

Optomechanical ring resonator for efficient microwave-optical frequency conversion

Phonons traveling in solid-state devices are emerging as a universal excitation for coupling different physical systems. Phonons at microwave frequencies have a similar wavelength to optical photons in solids, enabling optomechanical microwave-optical transduction of classical and quantum signals. It becomes conceivable to build optomechanical integrated circuits (OMIC) that guide both photons and phonons and interconnect photonic and phononic devices. Here, we demonstrate an OMIC including an optomechanical ring resonator (OMR), where co-resonant infrared photons and GHz phonons induce significantly enhanced interconversion. The platform is hybrid, using wide bandgap semiconductor gallium phosphide (GaP) for waveguiding and piezoelectric zinc oxide (ZnO) for phonon generation. The OMR features photonic and phononic quality factors of >1 × 10 5 and 3.2 × 10 3 , respectively. The optomechanical interconversion between photonic modes achieved an internal conversion efficiency $η_i$ = (2.1 ± 0.1)% and a total device efficiency $η_{tot}$ = 0.57 x 10 -6 at a low acoustic pump power of 1.6 mW. The efficient conversion in OMICs enables microwave-optical transduction for quantum information and microwave photonics applications.

42 ENGINEERING↗

DOE OSTI2023

Large Enhancements in Optical and Piezoelectric Properties in Ferroelectric Zn 1- x Mg x O Thin Films through Engineering Electronic and Ionic Anharmonicities

Multifunctionality as a paradigm requires materials exhibiting multiple superior properties. Integrating second-order optical nonlinearity and large bandgap with piezoelectricity can, for example, enable broadband, strain-tunable photonics. Though very different phenomena at distinct frequencies, both second-order optical nonlinearity and piezoelectricity are third-rank polar tensors present only in acentric crystal structures. However, simultaneously enhancing both phenomena is highly challenging since it involves competing effects with tradeoffs. Recently, a large switchable ferroelectric polarization of ≈80 μC cm –2 was reported in Zn 1-x Mg x O films. Here, ferroelectric Zn 1-x Mg x O is demonstrated to be a platform that hosts simultaneously a 30% increase in the electronic bandgap, a 50% enhancement in the second harmonic generation (SHG) coefficients, and a near 200% improvement in the piezoelectric coefficients over pure ZnO. These enhancements are shown to be due to a 400% increase in the electronic anharmonicity and a ≈200% decrease in the ionic anharmonicity with Mg substitution. Precisely controllable periodic ferroelectric domain gratings are demonstrated down to 800 nm domain width, enabling ultraviolet quasi-phase-matched optical harmonic generation as well as domain-engineered piezoelectric devices.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Extremely Large Response of Phonon Coherence in Twisted Penta‐NiN 2 Bilayer

Abstract Twisting has recently been demonstrated as an effective strategy for tuning the interactions between particles or quasi‐particles in layered materials. Motivated by the recent experimental synthesis of pentagonal NiN 2 sheet [ACS Nano2021, 15, 13539], for the first time, the response of phonon coherence to twisting in bilayer penta‐NiN 2 , going beyond the particle‐like phonon transport is studied. By using the unified theory of phonon transport and high order lattice anharmonicity, together with the self‐consistent phonon theory, it is found that the lattice thermal conductivity is reduced by 80.6% from 33.35 to 6.47 W m −1 K −1 at 300 K when the layers are twisted. In particular, the contribution of phonon coherence is increased sharply by an order of magnitude, from 0.21 to 2.40 W m −1 K −1 , due to the reduced differences between the phonon frequencies and enhanced anharmonicity after the introduction of twist. The work provides a fundamental understanding of the phonon interaction in twisted pentagonal sheets.

Chemistry↗

DOE OSTI2026

Identifying Differential Equations in Fourier Domain (FourierIdent)

We investigate identifying differential equations in the frequency domain. Fourier analysis is an important tool in theoretical analysis and numerical solvers of differential equations, yet there is limited work in exploring this connection in the identification of differential equations. This paper aims to identify the underlying differential equation in the frequency domain, from a given single realization of the differential equation perturbed by noise. Such setting imposes difficulties which are different from other identification methods where computation is carried out in the physical domain. We propose several ways to mitigate the challenges arising from noise in data and large differences in the magnitudes of frequency responses. The main takeaways are that identifying differential equations solely in the frequency domain is challenging, the method we propose is based on a form of domain partitions in the frequency domain, and this method shows benefits for complex data even with high level of noise. We introduce a Fourier feature denoising, and define the meaningful data region and the core regions of features to reduce the effect of noise in the frequency domain and to enhance the accuracy in coefficient identification. The proposed method is tested on various differential equations with linear, nonlinear, and high-order derivative feature terms, and shows advantages on complex data with many frequency modes, even under high level of noise.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Performance characterization and modeling of an oscillating surge wave energy converter

Abstract Testing wave energy converters in the ocean could be expensive and complex, which necessitates the use of numerical modeling. However, accurately modeling the response of wave energy converters with high-fidelity simulations can be computationally intensive in the design stage where different configurations must be considered. Reduced-order models based on simplified equations of motion can be very useful in the design, optimization, or control of wave energy converters. Given the complex dynamics of wave energy converters, accurate representation, and evaluation of relative contributions by different forces are required. This effort is concerned with a performance characterization of the hydrodynamic response of an oscillating surge wave energy converter that is based on a reduced-order model. A state-space model is used to represent the radiation damping term. Morison’s representation of unsteady forces is used to account for the nonlinear damping. Wave tank tests are performed to validate simulations. A free response simulation is used to determine the coefficients of the state-space model. Torque-forced simulations are used to identify the coefficients of the nonlinear damping term for different amplitudes and wave frequencies. The impact of varying these coefficients on the response is investigated. An assessment of the capability of the model in predicting the hydrodynamic response under irregular forcing is performed. The results show that the maximum error is 3% when compared with high-fidelity simulations. It is determined that the nonlinear damping is proportional to the torque amplitude and its effects are more pronounced as the amplitude of the flap oscillations increases.

16 TIDAL AND WAVE POWER↗

DOE OSTI2026

Low-stress creep behavior of multiple salt caverns under cyclic operations

Here, the use of multiple salt caverns for large-scale underground hydrogen storage offers a strategic solution to the growing demand for efficient and flexible energy storage, due to the inherent low permeability, high mechanical strength, and self-healing properties of the salt formation. Despite these advantages, the long-term geomechanical response of salt caverns under cyclic injection and withdrawal remains a significant challenge for ensuring operational stability. This mechanistic study highlights the critical role of low-stress creep, also known as pressure solution creep, in governing deformation of salt caverns during cyclic operations. Unlike conventional creep mechanisms that dominate under high-stress conditions, low-stress creep becomes particularly relevant under the moderate stress changes induced by repeated injection and withdrawal, which provides a previously underexplored control on cavern closure. Our three-dimensional computational model integrates the low-stress creep mechanism into the Munson–Dawson creep equation across a spectrum of operational scenarios including variations in cavern pressure cycles, injection-withdrawal frequencies, and caprock mechanical property. The low-stress creep components accelerate the cavern creep closure, which is amplified with shorter cycle frequency and larger pressure difference. Sensitivity analyses capture the complex interactions between multiple caverns and surround formations at the field scale that allows for a quantitative assessment of deformation patterns and closure rates over time and thereby informs the design and operation of sustainable underground hydrogen storage system.

Cyclic operation↗

DOE OSTI2024

Tuning metal-support interactions in nickel–zeolite catalysts leads to enhanced stability during dry reforming of methane

Ni-based catalysts are highly reactive for dry reforming of methane (DRM) but they are prone to rapid deactivation due to sintering and/or coking. In this study, we present a straightforward approach for anchoring dispersed Ni sites with strengthened metal-support interactions, which leads to Ni active sites embedded in dealuminated Beta zeolite with superior stability and rates for DRM. The process involves solid-state grinding of dealuminated Beta zeolites and nickel nitrate, followed by calcination under finely controlled gas flow conditions. By combining in situ X-ray absorption spectroscopy and ab initio simulations, it is elucidated that the efficient removal of byproducts during catalyst synthesis is conducted to strengthen Ni–Si interactions that suppress coking and sintering after 100 h of time-on-stream. Transient isotopic kinetic experiments shed light on the differences in intrinsic turnover frequency of Ni species and explain performance trends. This work constructs a fundamental understanding regarding the implication of facile synthesis protocols on metal-support interaction in zeolite-supported Ni sites, and it lays the needed foundations on how these interactions can be tuned for outstanding DRM performance.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Analysis of the time-of-flight neutron scattering cross-section data for light water measured at the SEQUOIA spectrometer, Spallation Neutron Source (SNS)

Thermal neutron scattering cross-section data for light water available in the major nuclear data libraries observes significant differences especially at reactor operating temperatures. During the past few years there has been a renewed interest in reviewing the existing thermal scattering models and generating more accurate and reliable thermal scattering cross sections using existing experimental data and in some cases based on Molecular Dynamics (MD) simulations. There is a need for performing new time-of-flight experiments at high temperatures and pressures, to have a better understanding of the physics involved in the scattering process that could help improve the existing TSL data.Lack of experimental thermal scattering data for light water at high temperatures led to a new measurement campaign within the INSIDER project at the Institut de radioprotection et de sûreté nucléaire (IRSN). Double differential scattering cross section for light water have been measured at the SEQUOIA spectrometer based at the Spallation Neutron Source (SNS), Oak Ridge National Laboratory, United States. Several measurements have been carried out at different temperatures and pressures corresponding to liquid light water. Measurements at five different incident neutron energies Ei (8, 60, 160, 280 and 800 meV) have been carried out to help exploring different regions of the frequency spectrum. This paper presents the analysis of the dynamic structure factor and the derived frequency spectrum of light water. The analysis of the experimental data would provide one with better confidence, the behavior of thermal scattering cross sections for light water at high temperatures, knowledge of which is very important for the design of novel reactors as well as existing pressurized water reactors.

Jaiswal, V↗

DOE OSTI2023

Mobility Gaps between Low-Income and Not Low-Income Households: A Case Study in New York State

Understanding the travel challenges faced by low-income residents has always been and continues to be one of the most important transportation equity topics. This study aims to explore the mobility gaps between low-income households (HHs) and not low-income HHs, and how the gaps vary within different socio-demographic population groups in New York State (NYS). The latest National Household Travel Survey data was used as the primary data source for the analysis. The study first employed the K-prototype clustering algorithm to categorize the HHs in NYS based on their socio-demographic attributes. Five population groups were identified based on nine different household (HH) features such as HH size, vehicle ownership, and elderly status of its members. Then, the mobility differences, measured by trip frequency, trip distance, travel time, and person miles traveled, were examined among the five population groups. Results suggest that the individuals in low-income HHs consistently took fewer trips and made shorter trips compared to their not low-income counterparts in NYS. The travel distance gaps were most obvious among white HHs with more vehicles than drivers. In addition, while the population from low-income HHs made shorter trips on average (2.7 mi shorter per trip), they experienced longer travel time than those from not low-income HHs (1.8 min longer per trip). These key findings provide a deeper understanding of the travel behavior disparities between low-income and not low-income households. The findings could also support policymakers and transportation planners in addressing the critical needs of residents in low-income households in NYS and provide inputs for designing a more equitable transportation system.

Liu, Yuandong↗

DOE OSTI2020

Excited-state electronic structure of molecules using many-body Green’s functions: Quasiparticles and electron–hole excitations with VOTCA-XTP

Here, we present the open-source VOTCA-XTP software for the calculation of the excited-state electronic structure of molecules using many-body Green’s function theory in the GW approximation with the Bethe–Salpeter equation (BSE). This work provides a summary of the underlying theory and discusses the details of its implementation based on Gaussian orbitals, including resolution-of-identity techniques and different approaches to the frequency integration of the self-energy or acceleration by offloading compute-intensive matrix operations using graphics processing units in a hybrid OpenMP/Cuda scheme. A distinctive feature of VOTCA–XTP is the capability to couple the calculation of electronic excitations to a classical polarizable environment on an atomistic level in a coupled quantum- and molecular-mechanics (QM/MM) scheme, where a complex morphology can be imported from Molecular Dynamics simulations. The capabilities and limitations of the GW–BSE implementation are illustrated with two examples. First, we study the dependence of optically active electron–hole excitations in a series of diketopyrrolopyrrole-based oligomers on molecular-architecture modifications and the number of repeat units. Second, we use the GW–BSE/MM setup to investigate the effect of polarization on localized and intermolecular charge-transfer excited states in morphologies of low-donor content rubrene–fullerene mixtures. These showcases demonstrate that our implementation currently allows us to treat systems with up to 2500 basis functions on regular shared-memory workstations, providing accurate descriptions of quasiparticle and coupled electron–hole excited states of various characters on an equal footing.

74 ATOMIC AND MOLECULAR PHYSICS↗