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NASA NTRS2024

Characterizing the Structure of Lithium Metal Batteries using Local Ultrasonic Resonance Spectroscopy (LURS)

Safe use of high energy density batteries is critical for electrifying aerospace and other transportation sectors. Nondestructive evaluation (NDE) techniques are being developed for characterizing battery structures throughout their lifetimes so that damage mechanisms can be better understood, and prognostic tools can be developed. In this study Local Ultrasonic Resonance Spectroscopy (LURS) is applied to lithium metal pouch cell batteries of a variety of form-factors that are brought from fabrication to end of life under different charge rates, temperatures, and loading scenarios. LURS data shows improved sensitivity to changes in structure in comparison to amplitude-based methods, allowing differences in damage development to be identified as well as giving opportunities for quality control in manufacturing.

Matthew Webster↗

NASA NTRS2024

Characterizing the Structure of Lithium Metal Batteries using Local Ultrasonic Resonance Spectroscopy (LURS)

Ultrasound↗

NASA NTRS2013

Damage Detection in Composite Structures with Wavenumber Array Data Processing

Guided ultrasonic waves (GUW) have the potential to be an efficient and cost-effective method for rapid damage detection and quantification of large structures. Attractive features include sensitivity to a variety of damage types and the capability of traveling relatively long distances. They have proven to be an efficient approach for crack detection and localization in isotropic materials. However, techniques must be pushed beyond isotropic materials in order to be valid for composite aircraft components. This paper presents our study on GUW propagation and interaction with delamination damage in composite structures using wavenumber array data processing, together with advanced wave propagation simulations. Parallel elastodynamic finite integration technique (EFIT) is used for the example simulations. Multi-dimensional Fourier transform is used to convert time-space wavefield data into frequency-wavenumber domain. Wave propagation in the wavenumber-frequency domain shows clear distinction among the guided wave modes that are present. This allows for extracting a guided wave mode through filtering and reconstruction techniques. Presence of delamination causes spectral change accordingly. Results from 3D CFRP guided wave simulations with delamination damage in flat-plate specimens are used for wave interaction with structural defect study.

Tian, Zhenhua↗

DOE OSTI2018

Position-Sensitive Spectrometric Module for Detecting Ionizing Radiation by Semiconductor Strip Detectors

A position-sensitive module for detecting ionizing radiation based on semiconductor strip detectors and a multichannel spectrometric route has been developed and implemented. The dynamic range of the detected charge generated by an ionizing particle in the detector is 5–250 fC. The position-sensitive module is a structurally complete device with the functions of amplifying the spectrometric signal, digitizing, buffering, preprocessing, and transmitting data to a computer.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2019

Atomic-scale combination of germanium-zinc nanofibers for structural and electrochemical evolution

Alloy materials have been emerged to achieve compatible properties in various applications. The structural manipulation, however, requires sensitive and complicated synthetic process. Herein, we report atomic-scale combination of germanium-zinc distorted alloy exhibiting uncertain eutectic point in a phase diagram can imply a great potential to form atomically collaborated array via a simple fabrication method. When interconnected together, it prevents a fatal sublimation of germanium/germanium oxide during gas-solid phase reduction reaction and allows outstanding electronic conductivity as well as high available capacity in lithium-ion batteries, leading to structural and electrochemical evolution of germanium/zinc distorted array. Further, the unique features are clearly confirmed through in situ analysis. Besides, as-prepared battery anodes remarkably highlights outstanding rate capabilities (capacity retention of ~50% at 20 C compared to 0.2 C-rate) and cycle retention (73% at 3.0 C-rate) with a capacity of 546 mAh g -1 even after 1000 cycles. Even when assembled in a full cell, it notably facilitates considerable energy density during 400 cycles with 99.4% of average coulombic efficiency, which is suitable for a large-scale energy storage system.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Enhanced electronic sensors

A micro-structured device that can improve sensitivity and signal-to-noise for electronic sensor materials is embedded in electrically resistive materials. The technology includes a three-dimensional embedded electrode structure and fabrication methods for making the device for electronic sensing in bulk resistive materials. Embedded electrode structures address issues in conventional sensors by allowing independent control of sensitive material thickness, area, electric field intensity, and field direction.

Doty, Fred Patrick↗

DOE OSTI2018

Long-Range Monostatic Remote Sensing of Geomaterial Structure Weak Vibrations

We study analytically and numerically signal sensitivity in remote sensing measurements of weak mechanical vibration of structures made of typical construction geomaterials, such as concrete. The analysis includes considerations of electromagnetic beam atmospheric absorption, reflection, scattering, diffraction and losses. Comparison is made between electromagnetic frequencies of 35GHz (Ka-band), 94GHz (W-band) and 260GHz (WR-3 waveguide band), corresponding to atmospheric transparency windows of the electromagnetic spectrum. Numerical simulations indicate that 94GHz frequency is optimal in terms of signal sensitivity and specificity for long-distance (> 1.5km) sensing of weak multi-mode vibrations.

Heifetz, Alexander↗

DOE OSTI2026

Neutron skins probed in proton knockout from neutron-rich nuclei

Proton-induced quasifree knockout reactions provide a powerful probe of nuclear single-particle structure and reaction dynamics in both stable and neutron-rich nuclei. Here, in this work, we develop a unified theoretical framework for the calculation of inclusive (𝑝, 2⁢𝑝) and sequential (𝑝, 3⁢𝑝) reaction cross sections and fragment momentum distributions at intermediate and relativistic energies. The approach is based on a probabilistic extension of Glauber multiple-scattering theory combined with microscopic nuclear densities obtained from Hartree-Fock-Bogoliubov calculations using Skyrme energy-density functionals. We focus in particular on the sensitivity of total cross sections and longitudinal momentum dispersions to neutron-skin thickness along isotopic chains. Our results indicate that both (𝑝, 2⁢𝑝) and (𝑝, 3⁢𝑝) reactions exhibit a systematic decrease of cross section and momentum width with increasing neutron excess, reflecting enhanced attenuation and surface bias induced by neutron skins. The effect is significantly stronger for two-proton removal, suggesting that (𝑝, 3⁢𝑝) reactions may offer enhanced sensitivity to isovector nuclear structure. These findings establish proton-induced knockout reactions as complementary hadronic probes of neutron skins and the density dependence of the nuclear symmetry energy.

direct reactions↗

DOE OSTI2019

Simulation Study of the Influence of Experimental Variations on the Structure and Quality of Plasma Liners

Simulation studies of a section of a spherically imploding plasma liner, formed by the merger of six hypersonic plasma jets, have been performed at conditions relevant to the Plasma Liner Experiment (PLX) [S. C. Hsu et al., IEEE Trans. Plasma Sci. 46, 1951 (2018)]. The main aim of simulations was the sensitivity study of the detailed structure of plasma liners and their global properties to experimental mass variations and timing jitter across the six plasma jets. Experimentally observable synthetic quantities have been computed using simulation data and compared with the available experimental data. Simulations predicted that the primary oblique shock wave structure is preserved at small experimental variations. At later phases of the liner implosion, primary shocks and, especially, secondary shocks are more sensitive to experimental variations. These conclusions follow from the simulation data as well as the experimental CCD camera images. Small displacements of the shock wave structures may also cause significant changes in the synthetic interferometer data at early time. Our studies showed that the global properties of the plasma liners (averaged Mach number and averaged ram pressure along leading edges of plasma liners) are not very sensitive to experimental variations. Simulation data of the liner structure were largely confirmed by the PLX experimental data.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2026

Effect of non-stoichiometry and pressure on superconductivity in topological semimetal PdTe

Research into topological superconductivity has been at the forefront of condensed matter physics due to both fundamental interest and potential applications in quantum computing. PdTe, is such a superconductor with a transition temperature T c ∼ 4.5 K and exhibits a nontrivial topological electronic structure, thus receiving significant attention. We report an experimental and theoretical investigation of the pressure effect on superconductivity by applying chemical non-stoichiometry and hydrostatic pressure. While T c decreases with increasing pressure through electrical resistivity, magnetization, and specific heat measurements, chemical pressure has a distinct impact from hydrostatic pressure, which could increase T c by creating negative pressure via non-stoichiometric Pd x Te with x > 1. Accompanied with this is a sign change of the Hall coefficient from negative at x < 1 to positive at x > 1. This indicates extreme sensitivity of the electronic structure to chemical non-stoichiometry, which occurs as a Pd vacancy for x < 1 and Pd interstitial for x > 1.

nonstoichiometry↗

DOE OSTI2025

Experimental and Computational Evaluation of Nicotinamide Cofactor Biomimetics

Oxidoreductase enzymes are widely used biocatalysts due to their high enantioselectivity and broad substrate compatibility in useful transformations. Many oxidoreductases require nicotinamide cofactors (i.e., NAD(P)H). To replace this costly natural cofactor, synthetic nicotinamide cofactor biomimetics (NCBs) offer different shapes, binding affinities, and reducing potentials that exceed the capabilities of wild-type NAD(P)H. However, the ill-defined structure–activity relationships (SARs) of various NCBs slow rationally guided innovation, such as customized reducing potentials. Here, we dissect two essential elements of NCB design, holding the nicotinamide invariant. First, the linker length between the nicotinamide and an unconjugated aromatic ring uncovered unexpected benefits to redox activity for two or three carbon linkers. Second, substitution on this unconjugated aryl group (Ring 2) might not be expected to affect activity. However, SAR trends demonstrate substantial benefits to reductive potential conferred by electron-donating functionalities on Ring 2. Furthermore, catalysis by two enzymes demonstrates enzyme-dependent tolerance or sensitivity to the NCB structures. Density functional theory (DFT) and computational modeling provide a theoretical framework to understand and build upon these observations. Ring 2 reaches up to the nicotinamide to stabilize its positive charge after oxidation through π–π stacking and charge transfer. Thus, the systematic examination of NCB’s stability, electrochemical redox potentials, and kinetics uncovers trends for the improved design of NCBs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1975

The structure of robust observers

Conventional observers for linear time-invariant systems are shown to be structurally inadequate from a sensitivity standpoint. It is proved that if a linear dynamic system is to provide observer action despite arbitrary small perturbations in a specified subset of its parameters, it must: (1) be a closed loop system, be driven by the observer error, (2) possess redundancy, the observer must be generating, implicitly or explicitly, at least one linear combination of states that is already contained in the measurements, and (3) contain a perturbation-free model of the portion of the system observable from the external input to the observer. The procedure for design of robust observers possessing the above structural features is established and discussed.

Bhattacharyya, S. P.↗

DOE OSTI2022

Nanoscale studies of electric field effects on monolayer 1T′-WTe2

Abstract Monolayer 1 T′-WTe 2 is a quantum spin Hall insulator with a gapped 2D-bulk and gapless helical edge states persisting to temperatures ~100 K. Despite the far-ranging interest, the magnitude of the bulk gap, the effect of gating on the 2D-band structure, as well the role interactions are not established. In this work we use STM spectroscopy to measure the intrinsic bulk gap of monolayer 1 T′-WTe 2 and show that gate induced electric fields cause large changes of the gap magnitude. Our first-principles DFT-derived tight-binding model reveal that a combination of spatial localization of the conduction and valance bands and Rashba-like spin-orbit coupling leads to a gating induced spin-splitting of the 2D-bulk bands in the tens of meV, thereby reducing the band gap. Our work explains the large sensitivity of the band structure to electric fields and suggests a new avenue for realizing proximity induced non-trivial superconductivity in monolayer 1 T′-WTe 2 .

36 MATERIALS SCIENCE↗

NASA NTRS1987

An approach to structure/control simultaneous optimization for large flexible spacecraft

This paper presents an approach to the simultaneous optimal design of a structure and control system for large flexible spacecrafts based on realistic objective function and constraints. The weight or total cost of structure and control system is minimized subject to constraints on the magnitude of response to a given disturbance involving both rigid-body and elastic modes. A nested optimization technique is developed to solve the combined problem. As an example, simple beam-like spacecraft under a steady-state white-noise disturbance force is investigated and some results of optimization are presented. In the numerical examples, the stiffness distribution, location of controller, and control gains are optimized. Direct feedback control and linear quadratic optimal controls laws are used with both inertial and noninertial disturbing force. It is shown that the total cost is sensitive to the overall structural stiffness, so that simultaneous optimization of the structure and control system is indeed useful.

Onoda, Junjiro↗

NASA NTRS1983

Properties of echo spectra observed by MST radars

Turbulent scatter and Fresnel reflection are the fundamental echoing mechanisms to interpret the signals observed by Mesosphere-stratosphere-troposphere (MST) radars. Turbulent scattered echoes provide information about the turbulence structure and mean flow of the atmosphere. Observational results with VHF MST radars, however, show the importance of Fresnel reflection due to the infinite gradient of reflectivity at the edges of a scattering layer. This condition is excluded for the weak fluctuation models but it is still possible to include the observed aspect sensitivity by assuming an anisotropic structure of fluctuations. Another explanation of the aspect sensitivity observed by MST radars is advanced. Spectral estimates by the widely used periodogram were related to a four-dimensional spectrum of atmospheric fluctuations with anisotropic structure. Effects of the radar system such as antenna beam width, beam direction and Fast Fourier Transformations (FFT) data length were discussed for the anisotropic turbulent atmosphere. Echo parameters were also estimated.

Wakasugi, K.↗

NASA NTRS1987

Simultaneous structure/control optimization of large flexible spacecraft

This paper presents an approach to the simultaneous optimal design of a structure and control system for large flexible spacecrafts based on realistic objective function and constraints. The weight or total cost of structure and control system is minimized subject to constraints on the magnitude of response to a given disturbance involving both rigid-body and elastic modes. A nested optimization technique is developed to solve the combined problem. As an example, simple beam-like spacecraft under a steady-state white-noise disturbance force is investigated and some results of optimization are presented. In the numerical examples, the stiffness distribution, the location of controller and the control gains are optimized. Direct feedback control and linear quadratic optimal control laws are used with both inertial and non-inertial disturbing force. It is shown that the total cost is sensitive to the overall structural stiffness so that a simultaneous optimization of the structure and control system is indeed useful.

Onoda, Junjiro↗

NASA NTRSDate not supplied

Asteroseismic Inversions of Mixed Acoustic-Gravity Modes to Probe the Stellar Core Structure

The discovery of mixed acoustic-gravity modes of oscillations of moderate mass stars opens a unique opportunity to infer the structure of the inner energy-generating cores and thus test the stellar evolution theory. The mixed modes have properties of internal gravity waves (g-modes) in the convectively stable helium core and properties of acoustic modes outside the core. We select several sets of the oscillation mode frequencies in the mass range from about 1.3 to 1.6 solar masses from the Kepler Legacy database, and apply the optimally localized averaging inversion technique previously developed for low-degree helioseismology. The inversion technique takes into account the uncertainties in the determination of the mass and radius of the stars, as well as the surface effects. The methodology provides sensitivity kernels for various structure properties, including the sound speed, density, and Ledoux parameter of convective stability, and, thus, the direct relationship between the stellar properties and the deviation of observed frequencies from the reference models. The inversion results reveal significant deviations in the core structure from the reference models calculated using the MESA evolutionary code for the stellar parameters obtained by the asteroseismic model grid fitting. Our analysis shows that the best resolution of the inner helium core and surrounding shell is achieved in inversions for the Ledoux parameter.

SMD↗

DOE OSTI2020

Tunable magnetic order in low-symmetry SeO 3 ligand linked TM 3 (SeO 3 ) 3 H 2 O ( TM =Mn , Co, and Ni) compounds

The ability to design crystal lattices with specific sublattice geometries has long been sought after especially in the context of harnessing magnetic frustration to elicit emergent physics. One approach which has seen some success recently is to design magnetic sublattices chemically through the use of nonmagnetic linker ligands as scaffolding for the magnetic ions. In this work we report the magnetic properties of one such family of materials, the transition metal (TM) selenite hydrates with chemical formula TM 3 (SeO 3 ) 3 H 2 O. These materials link highly distorted TMO 6 octahedra via nonmagnetic [SeO 3 ] 2+ linkers. Studying members with TM = Mn, Co, and Ni we use magnetic susceptibility and neutron powder diffraction to identify antiferromagnetic order in all three compounds with moderate frustration indexes. A comparison of the magnetic structures suggests that while the overall structure of the SeO 3 scaffolding remains unchanged the TM effects changes in the magnetic properties through tuning the internal bonding parameters and the single-ion physics. Changing from Mn to Co is found to be particularly consequential manifesting changes in both the ordered-moment direction and in the direction of the ordering vector. Field-dependent measurements of the susceptibility and heat capacity reveal metamagnetic transitions in both Mn 3 (SeO 3 ) 3 H 2 O and Co 3 (SeO 3 ) 3 H 2 O indicating nearby magnetic ground states accessible under relatively small applied fields. Density functional theory calculations broadly confirm these results, showing both a sensitivity of the magnetic structure to the TM and its local environment. Although no spin liquid behavior is achieved, these results suggest the fruitfulness of such synthesis philosophies and encourage future work to engender higher frustration in these materials via doping, field, pressure, or larger linker ligands.

36 MATERIALS SCIENCE↗