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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Radical Treatment of Haloacetonitriles in Aqueous Systems: A Kinetic Study

Haloacetonitriles (HANs) are important drinking water disinfection byproducts formed through the chlorination and chloramination of amino acids. Although HAN concentrations in treated water are usually lower than trihalomethanes, they are still of major concern due to their higher cyto- and genotoxicity. HANs undergo chemical transformations by hydrolysis on the hour to week time scales; however, for possible direct water reuse situations, their active removal using advanced oxidation/reduction processes (AO/RPs) may be required. We report here our systematic kinetic study of the four major AO/RP radiolysis species, oxidizing hydroxyl (·OH) and sulfate (SO 4 −· ) radicals and reducing hydrated electron (e aq − ) and hydrogen atoms (H · ) with five HANs (mono-, di-, and trichloroacetonitriles and mono- and dibromoacetonitriles) in water measured using electron pulse radiolysis techniques. At ambient temperatures and pH 1−7, significant reactivity was found for e aq − ( k = (1−5) × 10 10 M −1 s −1 ) and H · atoms ( k = (1 − 40 × 10 7 M −1 s −1 ), but only minimal oxidation by ·OH ( k = (0.6−10) × 10 7 M −1 s −1 ) and SO 4 −· ( k = (0.2−4) × 10 6 M −1 s −1 ) occurred. These data suggest that the large-scale AO/RP treatment of these contaminants will be effective for deaerated reducing systems, where the reductive electron-induced degradation of HANs will occur.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Constraining microphysical processes of warm rain formulation using advanced spectral separations, an ensemble retrieval framework and machine learning techniques

Drizzle, a common feature of marine boundary layer clouds formed through collision coalescence, plays a key role in cloud microphysics and evolution. Yet, simultaneously retrieving cloud and drizzle properties from remote-sensing observations remains challenging because drizzle droplets often dominate radar signals, masking cloud contributions. The goal of the proposed research is to provide constraints for the process of autoconversion and accretion using ARM cloud measurements. Specifically, we provide concurrent retrievals of cloud and drizzle that allows users to derive corresponding autoconversion and accretion rates.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

In-situ irradiation-induced studies of grain growth kinetics of nanocrystalline UO 2

The thermal conductivity of UO 2 fuel needs to be high enough to dissipate the heat generated from the fission reaction. Since grain size affects thermal conductivity and grain size can evolve with irradiation, it is critical to understand in-reactor UO 2 grain growth. Most studies of grain growth in UO 2 are based on thermally driven processes at elevated temperatures. However, studies have shown that grain growth can occur even at cryogenic temperatures by ballistic processes. Such irradiation-induced grain growth in UO 2 is yet to be studied. Advanced in-situ Kr ion irradiation and transmission electron microscopy were systematically performed on nanocrystalline UO 2 thin films at temperatures ranging from 50 K to 1073 K; grain growth was observed at all temperatures. A combination of manual and machine learning techniques was used to measure and plot grain size evolution against irradiation fluence at various irradiation temperatures. The machine learning method has significantly improved the analysis efficiency and reduced human labors. The grain diameter data were fitted using classical grain growth and thermal spike models to describe grain growth kinetics with and without irradiation effect. Grain growth during low temperature irradiation (≤ 475 K) can be well described by the thermal spike model. Above 475 K, there were additional thermally assisted processes that further accelerate the grain growth. At the highest irradiation temperature about 1075 K, both irradiation-induced dislocation loops and cavities/bubbles were observed to form in the UO 2 . In this report, the effects of irradiation-induced defects on grain growth kinetics are discussed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

3ω techniques for measurement of volumetric heat capacity and anisotropic thermal conductivity of a solution processable, hybrid organic/inorganic film, Te-PEDOT:PSS

We report that measuring the thermal properties of anisotropic films of hybrid materials poses a challenge to existing metrology techniques. We have developed a new approach for measuring the volumetric heat capacity and anisotropic thermal conductivity of these systems using the 3ω method. While there exist many avenues for measuring the thermal properties of thin films, most carry with them difficult requirements such as smooth surfaces or advanced lithography. Here, we present measurements of a film's in-plane and cross-plane conductance and its volumetric heat capacity using relatively simple sample configurations, each requiring a single heater. For the measurement of volumetric heat capacity, we present a new model fitting method, relying on a standard film-on-substrate configuration. For the measurement of in-plane thermal conductance by 3ω, we have developed the use of an embedded micro-wire heater in suspended drop cast films, allowing for a 12 μm wide heater without the need for advanced lithography. We also expose the surprisingly significant effect of thermal radiation in the suspended film measurement and its associated error. Our measurements reveal a large anisotropy in the thermal conductivity of our test material, Te-PEDOT:PSS, of k in-plane / k cross-plane = 19, consistent with the nanoscale morphology of the material.

36 MATERIALS SCIENCE↗
DOE OSTI2022

FSVPy: A python-based package for fluorescent streak velocimetry (FSV)

Predictive constitutive equations that connect easy-to-measure transport properties (e.g., viscosity and conductivity) with system performance variables (e.g., power consumption and efficiency) are needed to design advanced thermal and electrical systems. In this work, we explore the use of fluorescent particle-streak analysis to directly measure the local velocity field of a pressure-driven flow, introducing a new Python package (FSVPy) to perform the analysis. Fluorescent streak velocimetry combines high-speed imaging with highly fluorescent particles to produce images that contain fluorescent streaks, whose length and intensity can be related to the local flow velocity. By capturing images throughout the sample volume, the three-dimensional velocity field can be quantified and reconstructed. We demonstrate this technique by characterizing the channel flow profiles of several non-Newtonian fluids: micellar Cetylpyridinium Chloride solution, Carbopol 940, and Polyethylene Glycol. We then explore more complex flows, where significant acceleration is created due to microscale features encountered within the flow. We demonstrate the ability of FSVPy to process streaks of various shapes and use the variable intensity along the streak to extract position-specific velocity measurements from individual images. Thus, we demonstrate that FSVPy is a flexible tool that can be used to extract local velocimetry measurements from a wide variety of fluids and flow conditions.

Mechanics↗
DOE OSTI2020

Site-specific spectroscopic measurement of spin and charge in (LuFeO3)m/(LuFe2O4)1 multiferroic superlattices

Abstract Interface materials offer a means to achieve electrical control of ferrimagnetism at room temperature as was recently demonstrated in (LuFeO 3 ) m /(LuFe 2 O 4 ) 1 superlattices. A challenge to understanding the inner workings of these complex magnetoelectric multiferroics is the multitude of distinct Fe centres and their associated environments. This is because macroscopic techniques characterize average responses rather than the role of individual iron centres. Here, we combine optical absorption, magnetic circular dichroism and first-principles calculations to uncover the origin of high-temperature magnetism in these superlattices and the charge-ordering pattern in the m = 3 member. In a significant conceptual advance, interface spectra establish how Lu-layer distortion selectively enhances the Fe 2+ → Fe 3+ charge-transfer contribution in the spin-up channel, strengthens the exchange interactions and increases the Curie temperature. Comparison of predicted and measured spectra also identifies a non-polar charge ordering arrangement in the LuFe 2 O 4 layer. This site-specific spectroscopic approach opens the door to understanding engineered materials with multiple metal centres and strong entanglement.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Geophysical Signatures of Crack Network Coalescence in Rocks at Multiple Length Scales

The main goal of the research project was to identify the geophysical signatures of fracture growth in natural rocks by utilizing novel geophysical techniques. The research objectives were to (a) investigate the potential for geophysical methods to determine when cracks initiate, the types and locations of propagated cracks, and the coalescence of networks of cracks in natural rocks at multiple scales, (b) determine how damage at the microscale evolved into damage at the macroscale and then link the microscopic and macroscopic observations, (c) quantify crack coalescence in rocks under realistic stress conditions using coupled mechanical-geophysical-optical visualization, and (d) identify the precursors in geophysical signals to crack coalescence. The following research thrusts were explored to achieve the research objectives: (1) uniaxial compression testing of rock specimens with and without a set of pre‐existing flaws and (2) triaxial compression testing of natural rock specimens. These thrusts allowed for exploring fracturing in rocks under realistic in situ environments and at multiple scales. This project provided educational opportunities for nine graduate and undergraduate students and resulted in 27 peer-reviewed publications. This first research thrust focused on investigating the micromechanics of fractures in rocks through uniaxial compression testing combined with advanced geophysical and imaging techniques, specifically acoustic emission (AE) monitoring, ultrasonic imaging, and 2-dimensional Digital Image Correlation (2D-DIC). By examining damage processes under time-independent and time-dependent loading conditions, insights into damage localization, crack initiation, and fracturing mechanisms were gained. It was observed that the AE signals and the strain-based measurements directly reflect the state of damage in the rock specimen and could be used to identify the cracking levels, such as the crack initiation (CI) and crack damage (CD), and the mode of deformation. A novel calibration apparatus was developed to enhance the accuracy of AE sensors, allowing for the estimation of key parameters such as magnitude, source dimension, stress drop, and radiated seismic energy associated with the fractures. The findings highlighted significant variations in the temporal evolution of AE source parameters during the primary, secondary, and tertiary stages of creep, identifying tensile cracking as the primary deformation mode. The second research thrust focused on enhancing the understanding of fracturing processes in natural rocks through triaxial compression testing, real-time AE monitoring, and ultrasonic monitoring. We investigated the impact of various factors such as fracture propagation regimes, injection parameters, rock types, and pre-existing conditions on the hydraulic fracture (HF) behavior using scaled true-triaxially loaded specimens of Barre granite and Lyons sandstone. Custom sensor housing facilitated concurrent active and passive monitoring to analyze hydro-mechanical responses and microseismicity associated with different HF scenarios. A coupled investigation of passive microseismicity and active signal attributes permitted a detailed comprehension of the various HF processes (aseismic deformation, fracture initiation and propagation, fluid permeation, and leak-off) and their dependence on the specific rock type. The findings of this research demonstrated the effectiveness of AE monitoring techniques in providing valuable insights into the impact of various factors on the behavior and dynamics of HF processes. The advancements in monitoring techniques, offering a more thorough and precise approach, represent a significant step towards optimizing HF practices and ensuring sustainable resource extraction.

58 GEOSCIENCES↗
DOE OSTI2021

Practical considerations for amino acid isotope analysis

Over the last few decades, isotopic analysis of amino acids at the compound- and position-specific levels has been rapidly advancing across diverse fields. As these techniques progress, evaluation of isotopic fractionation associated with sample workup is essential. This critical review of analytical methods through the lens of isotope geochemistry provides a benchmark for researchers across disciplines seeking to make compound- and position-specific amino acid isotope measurements. We focus on preparation, acid hydrolysis, clean-up, derivatization, separation, and C, H, N, and S isotope measurement. Despite substantial customizability across these steps, the following general recommendations should maximize recovery while minimizing isotopic fractionation. Samples should be freeze-dried and stored anoxically at ≤ –20 °C prior to conventional acid hydrolysis (6N HCl, 110 °C, 20–24 h, anoxic), which suffices for many residues. Both gas and liquid chromatographic (GC and LC, respectively) techniques are well-established and separate about 15 amino acids; LC bypasses the need for derivatization, while GC provides higher sensitivity. Furthermore, when derivatization is needed, n-acetyl and alkoxycarbonyl esters provide the most reproducible C isotope ratios. For compound-specific analyses, online GC–IRMS and LC–IRMS systems offer the easiest workflow, but EA–IRMS enables potential multi-element isotope analysis. Emerging techniques like high-resolution mass spectrometry are also promising for multi-element analysis and recover position-specific isotopic information. Looking forward to the next decade of innovation, isotope geochemists and ecologists can improve amino acid isotope analysis by focusing on streamlining multi-element analysis and standardizing calibration practices across laboratories.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

ACS Sustainable Chemistry & Engineering Virtual Special Issue on Recent Advances in Biomass Characterization and Modeling

Recognizing the importance of biomass characterization and modeling, a virtual special issue (VSI) entitled Recent Advances in Biomass Characterization and Modeling was organized to showcase the recent contributions to this emerging field. This VSI features contributions from leading scientists in the biorefinery field, intending to provide the readers with the latest advances in analytical methodology and modeling to characterize biomass feedstocks and biomass-derived products. Further, the VSI contains perspectives and research articles. Advanced analytical methods that measure the mechanical, chemical, physical, biological, and other properties of biomass and biomass pyrolysis products are described along with their application’s limitations in two perspectives. Biomass is a multicomponent/multiscale, complex, nonconducting, and highly heterogeneous material; thus, it could be problematic for many characterization techniques. Traditional biomass analysis tools that are slow, laborious, and generally require harsh reagents have been replaced or supplemented by simpler and more rapid chromatographic and spectroscopic approaches such as GC-MS, HPLC, FTIR, Raman, and NMR spectroscopies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Recursive Use of the Short-Time Fast Fourier Transform for Signature Analysis in Continuous Processes

Although a nuclear reactor is a hostile environment for sensing and electrical communications, the reactor core is amenable to acoustic communication. An acoustic measurement infrastructure (AMI) has been installed in the Advanced Test Reactor (ATR) to record acoustic signals that can capture its different operating regimes. AMI uses coolant pumps as continuous signal sources, coolant and structural components as transmission lines, and accelerometers to capture system motion. A recursive signal processing technique based on the short-time fast Fourier transform (STFFT) for continuous processes provides unique signatures for diagnostic and prognostic analyses from the system motion data. Here this article presents a recursive STFFT methodology that processes acoustic signals from continuous industrial processes. The article first discusses the initial STFFT use with simulated data to elucidate the basic principles necessary to understand and interpret the STFFT results from actual pump vibration data. Each repetitive use of the STFFT on pump vibration data using the results from the prior STFFT processing will generate additional complimentary time-frequency-based signatures. These signatures are generated by the coolant pumps operating under different process conditions. After each use of the STFFT, the resulting signatures provide exemplary examples of the diversity and intuitive nature of recursively using the STFFT. This article focuses on recursively using the STFFT to provide numerous complimentary and diverse signatures that will ultimately be inputs for machine learning algorithms that provide predictive data analytics. The intuitive nature of the information and signatures from recursive STFFT processing will also bring intuitive interpretation capabilities to machine learning and predictive data analytic techniques.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Advanced Characterization of Solid-State Battery Materials Using Neutron Scattering Techniques

Advanced batteries require advanced characterization techniques, and neutron scattering is one of the most powerful experimental methods available for studying next-generation battery materials. Neutron scattering offers a non-destructive method to probe the complex structural and chemical processes occurring in batteries during operation in truly in situ/in operando measurements with a high sensitivity to battery-relevant elements such as lithium. Neutrons have energies comparable to the energies of excitations in materials and wavelengths comparable to atomic distances in the solid state, thus giving access to study structural and dynamical properties of materials on an atomic scale. In this review, a broad overview of selected neutron scattering techniques is presented to illustrate how neutron scattering can be used to gain invaluable information of solid-state battery materials, with a focus on in situ/in operando methods. These techniques span multiple decades of length and time scales to uncover the complex processes taking place fundamentally on the atomic scale and to determine how these processes impact the macroscale properties and performance of functional battery systems. This review serves the solid-state battery research community by examining how the unique capabilities of neutron scattering can be applied to answer critical and unresolved questions of materials research in this field. A thorough and broad perspective is provided with numerous practical examples showing these techniques in action for battery research.

25 ENERGY STORAGE↗
DOE OSTI2022

Emergent interface vibrational structure of oxide superlattices

As the length scales of materials decrease, the heterogeneities associated with interfaces become almost as important as the surrounding materials. This has led to extensive studies of emergent electronic and magnetic interface properties in superlattices. However, the interfacial vibrations that affect the phonon-mediated properties, such as thermal conductivity, are measured using macroscopic techniques that lack spatial resolution. Although it is accepted that intrinsic phonons change near boundaries, the physical mechanisms and length scales through which interfacial effects influence materials remain unclear. Here we demonstrate the localized vibrational response of interfaces in strontium titanate–calcium titanate superlattices by combining advanced scanning transmission electron microscopy imaging and spectroscopy, density functional theory calculations and ultrafast optical spectroscopy. Structurally diffuse interfaces that bridge the bounding materials are observed and this local structure creates phonon modes that determine the global response of the superlattice once the spacing of the interfaces approaches the phonon spatial extent. Our results provide direct visualization of the progression of the local atomic structure and interface vibrations as they come to determine the vibrational response of an entire superlattice. Direct observation of such local atomic and vibrational phenomena demonstrates that their spatial extent needs to be quantified to understand macroscopic behaviour. Tailoring interfaces, and knowing their local vibrational response, provides a means of pursuing designer solids with emergent infrared and thermal responses.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Hot Spot Evolution Measured by High-Resolution X-Ray Spectroscopy at the National Ignition Facility

Evolution of the hot spot plasma conditions was measured using high-resolution x-ray spectroscopy at the National Ignition Facility. The capsules were filled with DD gas with trace levels of Kr and had either a high-density-carbon (HDC) ablator or a tungsten (W)-doped HDC ablator. Time-resolved measurement of the Kr He β spectra, absolutely calibrated by a simultaneous time-integrated measurement, allows inference of the electron density and temperature through observing Stark broadening and the relative intensities of dielectronic satellites. By matching the calculated hot spot emission using a collisional-radiative code to experimental observations, the hot spot size and areal density are determined. Here these advanced spectroscopy techniques further reveal the effect of W dopant in the ablator on the hot spot parameters for their improved implosion performance.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Electro-optic sampling of classical and quantum light

Full characterization of electric-field waveforms in amplitude and phase is achieved across the terahertz to visible spectral range through interaction with an optical pulse shorter than a half-cycle period via the Pockels (linear electro-optic) effect. This technique of electro-optic sampling has become an indispensable tool in various areas, including ultrafast pump-probe, time-domain and frequency-comb spectroscopies, quantum optics, high-harmonic generation, and attosecond science, and holds great promise for further advances. Not only does it enable spectroscopic measurements with record dynamic range and temporal resolution, along with massively parallel real-time spectral data acquisition, but its remarkable sensitivity also allows the detection of vacuum fluctuations, i.e., “zero-point motion” of electric fields, profoundly impacting our understanding of the fundamental laws of nature.

Benea-Chelmus, Ileana-Cristina (ORCID:000000024814↗
DOE OSTI2021

Remote methane sensor for emissions from pipelines and compressor stations using chirped-laser dispersion spectroscopy

Leak rates of methane (CH 4 ) from the natural gas supply chain result in lost profit from unsold product, public safety and property concerns due to potential explosion hazards, and a potentially large source of economic damages from legal liabilities. Yet large measurement challenges exist in identifying and quantifying CH 4 leak rates along the vast number and type of components in the natural gas supply chain. This is particularly true of the “midstream” components involved in the gathering, processing, compression, transmission, and storage of natural gas. This project developed and deployed new advances in chirped laser dispersion spectroscopy (CLaDS) to detect methane leaks from pipelines, compressor stations, and other midstream infrastructure from a remote position (standoff detection). The system was deployed from a van to measure fugitive methane leaks from a local compressor station as a proof-of-concept. The technique was validated through mobile laboratory measurements with in-situ sensors as well as controlled releases of methane. The system also mapped a plume from a controlled release of methane by tracking a small unmanned aerial system (sUAS) that carried a corner cube retroreflector which reflected the beam back to the instrument. The drone-based system quantified a leak rate to within 30% of the actual rate and localized the emission location within 5 m of the actual release location at standoff distances of 25-45 m. This sUAS-reflector tracking approach has benefits for mapping leak locations remotely using small drones flying around a facility. Benefits of a commercial sensor with these capabilities include reductions of leaks for pipeline operators (more profit), earlier detection of leaks to avoid catastrophic explosion hazards for public health and to mitigate property damage, and reduced methane emissions to the atmosphere (improving air quality).

03 NATURAL GAS↗
DOE OSTI2024

Momentum informed muon scattering tomography for monitoring spent nuclear fuels in dry storage cask

Development of an effective monitoring method for spent nuclear fuel (SNF) in a dry storage cask (DSC) is important to meet the increasing demand for dry storage investigations. The DSC investigation should provide information about the quantity of stored SNF, and quality assurance of materials should be possible without opening the cask. However, traditional nondestructive examination (NDE) methods such as x-rays are difficult to deploy for DSC investigation because a typical DSC is intentionally designed to shield against radiation. To address this challenge, cosmic ray muons (CRMs) are used as an alternative NDE radiation probe because they can easily penetrate an entire DSC system; however, a wide application of muons is often hindered due to the naturally low CRM flux (~10 4 muons/m 2 /min). This paper introduces a newly proposed imaging algorithm, momentum-informed muon scattering tomography (MMST) , and presents how a limitation of the current muon scattering tomography technique has been addressed by measuring muon momentum. To demonstrate its functionality, a commercial DSC with 24 pressurized light water reactor fuel assemblies (FAs) and the MMST system were designed in GEANT4. Three noticeable improvements were observed for MMST system as a DSC investigation tool: (1) a signal stabilization, (2) an enhanced capability to differentiate various materials, and (3) statistically increased precision to identify and locate missing FAs. The results show that MMST improves the investigation accuracy from 79 to 98% when one FA is missing and 51% to 88% when one-half FA is missing. The advancement of the NDE technique using CRM for DSC verification is expected to resolve long-standing problems in increasing demand for DSC inspections and nuclear security.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Battery Electrolyte Design for Electric Vertical Takeoff and Landing (eVTOL) Platforms

Here, the development of robust and high-performance battery systems is crucial for the advancement of Electric Vertical Takeoff and Landing (eVTOL) vehicles for urban air mobility. This study evaluates the performance of different lithium-ion battery chemistries under Electric Vertical Takeoff and Landing (eVTOL) load profiles. The actual flight data coupled with physical models is used to create discharge profiles for testing on developed lithium-ion cells for eVTOLs. The performance of a standard liquid electrolyte (1.2 M LiPF 6 in EC:EMC), labeled Gen-2, is benchmarked and compared with a fast-charging electrolyte (1.2 M LiFSI in EC:EMC), labeled XFC. Cell analysis involves the use of various techniques, such as impedance spectroscopy, polarization curves, and capacity retention measurements. Capacity retention is stable for both systems over 500 cycles, but unique discharge capacity trends are observed for different mission segments. During the initial takeoff hover stages, Gen-2 electrolytes experience substantial voltage fade, while XFC electrolytes maintain consistent behavior. In general, the Gen-2 electrolyte demonstrated lower discharge overpotentials and higher decay during cycling compared to the XFC electrolyte. This work highlights the complexity of eVTOL battery behavior and provides insights into battery system design, contributing to the advancement of battery energy storage solutions for urban air mobility.

25 ENERGY STORAGE↗
DOE OSTI2022

Structural Properties of Nanometer‐Sized Gold Nanoparticles on a Silicon Substrate

Properties of gold nanoparticles (Au NPs) supported on Si substrates, which have been the focus of recent attention, depend sensitively on the size, structure, and coordination of Au NPs as well as on the processes of interdiffusion and chemical bonding at the Au–Si interface. There is a great need, therefore, for developing structural techniques capable of imaging such nanosystems in atomic detail. Here, it is discussed how the atomic structure of nanometer‐sized Au NPs deposited on a silicon surface can be determined by using high‐energy X‐ray diffraction measurements in combination with an analysis based on atomic‐pair‐distribution functions and advanced reverse Monte Carlo methods. This approach delivers simple and incisive pictures of the structure of Au clusters on Si and reveals direct structural evidence for the emergence of a Au‐silicide interface following room temperature deposition of Au NPs on Si. This study will contribute to designing Au/Si nanostructures with desirable properties.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗