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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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Kinetics of Radiation-induced Cr( II ) and Cr( III ) Redox Chemistry in Molten LiCl-KCl Eutectic

Chromium (Cr) is a frequent constituent of the metal alloys proposed for molten salt nuclear reactor (MSR) applications, and is typically the least noble metal ion present. Consequently, chromium is preferentially corroded into molten salt solutions. Here, the redox poise and redox cycling of chromium ions in the salt can greatly influence its corrosivity towards structural alloys, ultimately impacting the longevity of MSR systems. Radiation-induced chemistry is expected to play a significant role in determining the chromium oxidation state distribution during MSR operations. In the present research, electron pulse radiolysis techniques were employed to characterize the reactivity of Cr(II) and Cr(III) ions with primary radiolysis products in molten lithium chloride–potassium chloride (LiCl–KCl) eutectic over a temperature range of 400–600 °C. Both chromium oxidation states were found to rapidly react with the primary products of molten chloride salt radiolysis, i.e., the solvated electron (e S - ) and the dichlorine radical anion (Cl 2 ˙ - ). For reactions with the e S - , second-order rate coefficients (k) of k = (4.1 ± 0.2) and (6.1 ± 0.3) × 10 10 M -1 s -1 at 400 °C for Cr(II) and Cr(III), respectively, were determined. Temperature-dependent measurements allowed for the derivation of activation parameters for electron capture by Cr(II) and Cr(III). Both chromium ions also react with Cl 2 ˙ - , k = (7.2 ± 0.3) and (1.4 ± 0.1) × 10 9 M -1 s -1 at 400 °C for Cr(II) and Cr(III), respectively.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗
DOE OSTI2024

Porous liquids: an integrated platform for gas storage and catalysis

Porous liquids (PLs) represent a new frontier in materials design, combining the unique features of fluidity in liquids and permanent porosity in solids. By engineering well-defined pores into liquids via designed structure modification techniques, the greatly improved free volume significantly enhances the gas transport and storage capability of PL sorbents. Triggered by the promising applications of PLs in gas separation, PLs are further explored in catalysis particularly to integrate the gas storage and catalytic transformation procedure. This emerging field has demonstrated promising progress to advance catalytic procedures using PLs as catalysts, with performance surpassing that of the pure liquid and porous host counterparts. In this perspective article, the recent discoveries and progress in the field of integrated gas storage and catalysis by leveraging the PL platforms will be summarized, particularly compared with the traditional homogeneous or heterogeneous catalytic procedures. The unique features of PLs endow them with combined merits from liquid and solid catalysts and beyond which will be illustrated first. This will be followed by the unique techniques being utilized to probe the porosity and active sites in PLs and the structural evolution during the catalytic procedures. The catalytic application of PLs will be divided by the reaction categories, including CO 2 -involving transformation, O 2 -involving reaction, H 2 S conversion, hydrogenation reaction, and non-gas involving cascade reactions. In each reaction type, the synthesis approaches and structure engineering techniques of PLs, structure characterization, catalytic performance evaluation, and reaction mechanism exploration will be discussed, highlighting the structure–performance relationship and the advancement benefiting from the unique features of PLs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Resonant ultrasound spectroscopy for crystalline samples containing initial strain

Resonant ultrasound spectroscopy (RUS) is a mature and robust technique for the nondestructive characterization of the elastic properties of solids capable of providing the elastic constants of anisotropic crystalline solids. The traditional method is based on assuming that the solid is linear elastic and, therefore, obeys a linearized Hookean constitutive relationship (Hooke’s law). In this work, an alternative constitutive law is provided that allows for an initial strain or prestrain to be present stemming from residual stress. Then, the constitutive relationship is integrated into the RUS framework. The model is demonstrated using a realistic prestrain field obtained by simulating shot-peening processing of a polycrystalline Cu sample. The sensitivity of the resonances to the developed prestrain is established and discussed. This work allows researchers to consider the influence of initial strain or residual stress in their samples and the potential influence on accurate elastic constant estimates. The model also supports the potential of RUS for the nondestructive characterization of prestrain in materials.

42 ENGINEERING↗
DOE OSTI2023

Electron pulse-dilation diagnostic instruments

During the past decade, a number of diagnostic instruments have been developed that utilize electron pulse-dilation to achieve temporal resolution in the 5–30 ps range. These development efforts were motivated by the need for advanced diagnostics for high-energy density physics experiments around the world. The new instruments include single- and multi-frame gated imagers and non-imaging detectors that record continuous data streams. Electron pulse-dilation provides high-speed detection capability by converting incoming signals into a free electron cloud and manipulating the electron signal with electric and magnetic fields. In this paper we discuss design details and applications of these instruments along with issues and challenges associated with employing the electron pulse-dilation technique. Additionally, methods to characterize instrument performance and improve tolerance to gamma and neutron background radiation are discussed.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Estimates of the wavenumber wavelet power spectrum of magnetic fluctuations during magnetic reconnection

Fluctuation analyses of experimental observations generally lack high temporal resolution and are in frequency-space f, contrary to theoretical efforts in wavenumber-space k. This is due to the inherent limits of the Fourier transform, though it is prominent due to the ease of diagnostic implementation. Advances in wavelet-based analysis have provided relief due to its temporal resolution, but in its common use, is still hard to compare to theoretical models. By using the two-point correlation technique in conjunction with large data sets, a wavelet power spectrum in wavenumber-space can be created. Dubbed the wavenumber wavelet power spectrum, this spectrum relates wavenumber to power in time. Further, this analysis technique more closely connects characterizations of experimentally observed fluctuations with other system parameters and theoretical predictions. In this article, we develop the wavenumber wavelet power spectrum using magnetic fluctuations caused by tearing instability driven magnetic reconnection in reproducible, high temperature laboratory plasmas. These dynamic magnetic fluctuations generated in reversed field pinch plasmas are broadband, ranging from the low frequency, 10's of kHz, up to the ion gyroradii frequencies, 100's of kHz. The dominant fluctuations have poloidal and toroidal mode numbers (m,n)=(1,6−10) and can grow to 2%–3% of the mean magnetic field. During these reconnection events, ions, and electrons are energized, magnetic fluctuation amplitudes increase, plasma flow is halted, and the toroidal magnetic flux increases, all on a semi-periodic basis. The newly developed spectrum provides better temporal resolution of spectrum characteristics to correlate with these particle energization phenomena.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

A cryogenically cooled 200 kV DC photoemission electron gun for ultralow emittance photocathodes

Novel photocathode materials like ordered surfaces of single crystal metals, epitaxially grown high quantum efficiency thin films, and topologically non-trivial materials with dirac cones show great promise for generating brighter electron beams for various accelerator and ultrafast electron scattering applications. Despite several materials being identified as brighter photocathodes, none of them have been tested in electron guns to extract electron beams due to technical and logistical challenges. In this paper, we present the design and commissioning of a cryocooled 200 kV DC electron gun that is capable of testing a wide variety of novel photocathode materials over a broad range of temperatures from 298 to 35 K for bright electron beam generation. This gun is designed to enable easy transfer of the photocathode to various standard ultra-high-vacuum surface diagnostics and preparation techniques, allowing a full characterization of the dependence of beam brightness on the photocathode material and surface properties. We demonstrate the development of such a high-voltage, high-gradient gun using materials and equipment that are easily available in any standard university lab, making the development of such 200 kV electron guns more accessible.

Instruments & Instrumentation↗
DOE OSTI2025

Characterization of fluorite-structured ferroelectrics using transmission electron microscopy: Techniques, challenges, and recent advances

Fluorite-structured ferroelectrics, such as hafnium oxide and its alloyed variants, are key candidates for next-generation memory devices. Yet, fundamental questions about switching mechanisms, domain dynamics, and phase evolution remain open. Transmission electron microscopy (TEM) provides unique capabilities to address these challenges by simultaneously resolving the positions of anions and cations, chemical variations, and structural transformations. Recent advances—including in situ heating, electron beam-induced switching, electron energy loss spectroscopy, and differential phase contrast imaging—have revealed critical insights into phase transitions, potential switching pathways, and oxygen vacancy behavior. However, experimental barriers such as TEM sample-preparation-induced artifacts, high coercive fields, and imaging constraints persist, especially for polycrystalline films. By offering a focused overview of current TEM developments in fluorite ferroelectrics, this work outlines how TEM contributes to understanding key phenomena and proposes a roadmap for future studies.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Tautomerism induces bending and twisting of biogenic crystals

Understanding and exploiting material flexibility through phenomena such as the bending and twisting of molecular crystals has been a subject of increased interest owing to the number of applications that benefit from these properties, such as optoelectronics, mechanophotonics, soft robotics, and smart sensors. Here, we report the growth of spontaneously bent and twisted ammonium urate crystals induced by the keto–enol tautomerism of the urate molecule. The major tautomer is native to biogenic crystals, whereas the minor tautomer functions as an effective crystal growth modifier to induce naturally bent and twisted ammonium urate crystals. We show that the degree of curvature can be tailored based on the judicious selection of growth conditions. A combination of state-of-the-art microscopy and spectroscopy techniques are used to characterize the origin of bending. Spatially resolved nano-electron diffraction and high-resolution electron microscopy of naturally bent crystals show nearly single crystallinity with local lattice deformations generated by a combination of screw and edge dislocations. These observations are consistent with photoinduced force microscopy and contact resonance atomic force microscopy, which confirmed spatially resolved changes in the intermolecular interactions and the mechanical properties throughout the cross-sectional and axial regions of bent crystals. A mechanism of bending involving the generation of regionally specific dislocations is proposed as an alternative to more commonly reported models. These findings highlight a unique characteristic of tautomeric crystals that may have broader implications for other biogenic materials.

Science & Technology - Other Topics↗
DOE OSTI2022

Characterizing Tradeoffs in Memory, Accuracy, and Speed for Chemistry Tabulation Techniques

Chemistry tabulation is a common approach in practical simulations of turbulent combustion at engineering scales. Linear interpolants have traditionally been used for accessing precomputed multidimensional tables but suffer from large memory requirements and discontinuous derivatives. Higher-degree interpolants address some of these restrictions but are similarly limited to relatively low-dimensional tabulation. Artificial neural networks (ANNs) can be used to overcome these limitations but cannot guarantee the same accuracy as interpolants and introduce challenges in reproducibility and reliable training. These challenges are enhanced as the physics complexity to be represented within the tabulation increases. Here, we assess the efficiency, accuracy, and memory requirements of Lagrange polynomials, tensor product B-splines, and ANNs as tabulation strategies. We analyze results in the context of nonadiabatic flamelet modeling where higher dimension counts are necessary. While ANNs do not require structuring of data, providing benefits for complex physics representation, interpolation approaches often rely on some structuring of the table. Interpolation using structured table inputs that are not directly related to the variables transported in a simulation can incur additional query costs. This is demonstrated in the present implementation of heat losses. We show that ANNs, despite being difficult to train and reproduce, can be advantageous for high-dimensional, unstructured datasets relevant to nonadiabatic flamelet models. Furthermore we demonstrate that Lagrange polynomials show significant speedup for similar accuracy compared to B-splines.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Neutral but Impactful: Gallium Cluster-Induced Nanopores from Beam-Blanked Gallium Ion Sources

Neutral atoms originating from liquid metal ion sources are an often-overlooked source of contamination and damage in focused ion beam microscopy. Beyond ions and single atoms, these sources also generate atom clusters. While most studies have investigated charged clusters, here we demonstrate that neutral clusters are also formed. These neutral clusters bypass the electrostatic beam blanking system, allowing them to impinge on samples even when the ion beam is blanked. We investigate this phenomenon using thin (≤20 nm) freestanding membranes of hexagonal boron nitride, silicon, and silicon nitride as targets. Randomly dispersed nanopores that form upon neutral cluster exposure are revealed. The average nanopore diameter is ∼2 nm with a narrow size distribution, suggesting that the atom clusters have a preferred size. Various electron microscopy techniques are used to characterize the nanopores, including high-resolution transmission electron microscopy, multislice ptychography, and electron energy-loss spectroscopy. Finally, we show how electron irradiation in the transmission electron microscope can be used to both remove any amorphous material that may clog the pores and to controllably grow the pores to specific sizes. Tunable nanopores such as these are interesting for nanofluidic applications requiring size-selective membranes.

Byrne, Dana O↗
DOE OSTI2022

High-Precision Mapping of Diamond Crystal Strain Using Quantum Interferometry

Crystal-strain variation imposes significant limitations on many quantum sensing and information applications for solid-state defect qubits in diamond. Thus, the precision measurement and control of diamond crystal strain is a key challenge. Here, we report diamond strain measurements with a unique set of capabilities, including micron-scale spatial resolution, a millimeter-scale field of view, and a 2-order-of-magnitude improvement in volume-normalized sensitivity over previous work, reaching 5(2)×10 -8 /√Hzμm -3 (with spin-strain coupling coefficients representing the dominant systematic uncertainty). We use strain-sensitive spin-state interferometry on ensembles of nitrogen-vacancy (N-V) color centers in single-crystal bulk diamond with low strain gradients. This quantum interferometry technique provides insensitivity to magnetic-field inhomogeneity from the electronic and nuclear spin bath, thereby enabling long N-V–ensemble electronic spin dephasing times and enhanced strain sensitivity, as well as broadening the potential applications of the technique beyond isotopically enriched or high-purity diamond. We demonstrate the strain-sensitive measurement protocol first on a confocal scanning laser microscope, providing quantitative measurement of sensitivity as well as three-dimensional strain mapping; and second on a wide-field-imaging quantum diamond microscope. Our strain-microscopy technique enables fast, sensitive characterization for diamond material engineering and nanofabrication; as well as diamond-based sensing of strains applied externally, as in diamond anvil cells or embedded diamond stress sensors, or internally, as by crystal damage due to particle-induced nuclear recoils.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Single crystal synthesis and magnetic properties of a Shastry-Sutherland lattice compound BaNd 2 ZnS 5

In this study, single crystals of a Shastry-Sutherland magnetic semiconductor, BaNd 2 ZnS 5 , were synthesized through a high-temperature solution growth technique. Physical properties were characterized by powder and single crystal x-ray diffraction, temperature- and field-dependent magnetization, and temperature-dependent specific heat measurements. BaNd 2 ZnS 5 orders antiferromagnetically at 2.9 K, with magnetic moments primarily aligned within the $ab$ -plane. Magnetic isothermal measurements show metamagnetic transitions at ~ 15 kOe for the [110] direction and ~ 21 kOe for the [100] direction. Estimated magnetic entropy suggests a double ground state for each neodymium ion.

36 MATERIALS SCIENCE↗
DOE OSTI2020

GIWAXS-SIIRkit: scattering intensity, indexing and refraction calculation toolkit for grazing-incidence wide-angle X-ray scattering of organic materials

Grazing-incidence wide-angle X-ray scattering (GIWAXS) has become an increasingly popular technique for quantitative structural characterization and comparison of thin films. For this purpose, accurate intensity normalization and peak position determination are crucial. At present, few tools exist to estimate the uncertainties of these measurements. Here, a simulation package is introduced called GIWAXS-SIIRkit , where SIIR stands for scattering intensity, indexing and refraction. Furthermore, the package contains several tools that are freely available for download and can be executed in MATLAB. The package includes three functionalities: estimation of the relative scattering intensity and the corresponding uncertainty based on experimental setup and sample dimensions; extraction and indexing of peak positions to approximate the crystal structure of organic materials starting from calibrated GIWAXS patterns; and analysis of the effects of refraction on peak positions. Additionally, each tool is based on a graphical user interface and designed to have a short learning curve. A user guide is provided with detailed usage instruction, tips for adding functionality and customization, and exemplary files.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Boosting the External Quantum Efficiency of AlGaN-Based Metal–Semiconductor–Metal Ultraviolet Photodiodes by Electrode Geometry Variation

Fast aluminum-gallium-nitride–based metal–semiconductor–metal ultraviolet photodiodes were successfully designed, fabricated, and characterized using conventional photolithography techniques. Various electrode geometries were fabricated to investigate the influence of metal contact shapes on the device performance indices with emphasis on the response speed and bias-voltage–independent efficiency. Furthermore, based on the independently measured Hall mobility and electric field, we evaluated the carrier transit time of the devices as 1.31 ps with bias-voltage–independent external quantum efficiency of 1198% in photoconductive mode at 19.5 V and 70% at 60 V for n -doped and intrinsic devices, respectively.

42 ENGINEERING↗
DOE OSTI2024

Development of an MKID frequency-to-pixel LED mapper for SPT-3G+

SPT-3G+ is the next-generation camera for the South Pole Telescope (SPT). SPT is designed to measure the cosmic microwave background (CMB) and the mm/sub-mm sky. The planned focal plane consists of 34,000 microwave kinetic inductance detectors (MKIDs), divided among three observing bands centered at 220, 285, and 345 GHz. Each readout line is designed to measure 800 MKIDs over a 500 MHz bandwidth, which places stringent constraints on the accuracy of the frequency placement required to limit resonator collisions that reduce the overall detector yield. To meet this constraint, we are developing a two-step process that first optically maps the resonance to a physical pixel location, and then next trims the interdigitated capacitor (IDC) to adjust the resonator frequency. We present a cryogenic LED apparatus operable at 300 mK for the optical illumination of SPT-3G+ detector arrays. We demonstrate integration of the LED controls with the GHz readout electronics (RF-ICE) to take data on an array of prototype SPT-3G+ detectors. We show that this technique is useful for characterizing defects in the resonator frequency across the detector array and will allow for improvements in the detector yield.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Direct Measurements of Ionic Transport Behavior of Dual-Layer Porous Electrodes

To improve power and cycling performance of lithium-ion batteries, dual-layer or porosity-gradient electrodes have been proposed. By engineering a higher porosity close to the separator, the intention is to improve ion transport where it is most impactful. In this research, MacMullin numbers of two dual-layer anode samples are tested using an impedance measurement technique developed previously. To characterize the microstructure of each layer independently, we developed an improved transmission-line model that accounts for each layer's properties.Virtual experiments using COMSOL Multiphysics to simulate impedance measurements are used to examine and improve the accuracy of the numerical inversion procedure. The results for the two dual-layer anodes studied show that MacMullin numbers follow expected trends, though the anodes are quite different from each other.

Dual-Layer Electrodes↗
DOE OSTI2021

Machine learning to identify geologic factors associated with production in geothermal fields: a case-study using 3D geologic data, Brady geothermal field, Nevada

Abstract In this paper, we present an analysis using unsupervised machine learning (ML) to identify the key geologic factors that contribute to the geothermal production in Brady geothermal field. Brady is a hydrothermal system in northwestern Nevada that supports both electricity production and direct use of hydrothermal fluids. Transmissive fluid-flow pathways are relatively rare in the subsurface, but are critical components of hydrothermal systems like Brady and many other types of fluid-flow systems in fractured rock. Here, we analyze geologic data with ML methods to unravel the local geologic controls on these pathways. The ML method, non-negative matrix factorization with k -means clustering (NMF k ), is applied to a library of 14 3D geologic characteristics hypothesized to control hydrothermal circulation in the Brady geothermal field. Our results indicate that macro-scale faults and a local step-over in the fault system preferentially occur along production wells when compared to injection wells and non-productive wells. We infer that these are the key geologic characteristics that control the through-going hydrothermal transmission pathways at Brady. Our results demonstrate: (1) the specific geologic controls on the Brady hydrothermal system and (2) the efficacy of pairing ML techniques with 3D geologic characterization to enhance the understanding of subsurface processes.

58 GEOSCIENCES↗