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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Laser Ablation Plasmas and Spectroscopy for Nuclear Applications

The development of measurement methodologies to detect and monitor nuclear-relevant materials remains a consistent and significant interest across the nuclear energy, nonproliferation, safeguards, and forensics communities. Optical spectroscopy of laser-produced plasmas is becoming an increasingly popular diagnostic technique to measure radiological and nuclear materials in the field without sample preparation, where current capabilities encompass the standoff, isotopically resolved and phase-identifiable (e.g., UO and UO[Formula: see text]) detection of elements across the periodic table. These methods rely on the process of laser ablation (LA), where a high-powered pulsed laser is used to excite a sample (solid, liquid, or gas) into a luminous microplasma that rapidly undergoes de-excitation through the emission of electromagnetic radiation, which serves as a spectroscopic fingerprint for that sample. This review focuses on LA plasmas and spectroscopy for nuclear applications, covering topics from the wide-area environmental sampling and atmospheric sensing of radionuclides to recent implementations of multivariate machine learning methods that work to enable the real-time analysis of spectrochemical measurements with an emphasis on fundamental research and development activities over the past two decades. Background on the physical breakdown mechanisms and interactions of matter with nanosecond and ultrafast laser pulses that lead to the generation of laser-produced microplasmas is provided, followed by a description of the transient spatiotemporal plasma conditions that control the behavior of spectroscopic signatures recorded by analytical methods in atomic and molecular spectroscopy. High-temperature chemical and thermodynamic processes governing reactive LA plasmas are also examined alongside investigations into the condensation pathways of the plasma, which are believed to serve as chemical surrogates for fallout particles formed in nuclear fireballs. Laser-supported absorption waves and laser-induced shockwaves that accompany LA plasmas are also discussed, which could provide insights into atmospheric ionization phenomena from strong shocks following nuclear detonations. Furthermore, the standoff detection of trace radioactive aerosols and fission gases is reviewed in the context of monitoring atmospheric radiation plumes and off-gas streams of molten salt reactors. Finally, concluding remarks will present future outlooks on the role of LA plasma spectroscopy in the nuclear community.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Plasmonic sensors based on graphene and graphene hybrid materials

Abstract The past decade has witnessed a rapid growth of graphene plasmonics and their applications in different fields. Compared with conventional plasmonic materials, graphene enables highly confined plasmons with much longer lifetimes. Moreover, graphene plasmons work in an extended wavelength range, i.e., mid-infrared and terahertz regime, overlapping with the fingerprints of most organic and biomolecules, and have broadened their applications towards plasmonic biological and chemical sensors. In this review, we discuss intrinsic plasmonic properties of graphene and strategies both for tuning graphene plasmons as well as achieving higher performance by integrating graphene with plasmonic nanostructures. Next, we survey applications of graphene and graphene-hybrid materials in biosensors, chemical sensors, optical sensors, and sensors in other fields. Lastly, we conclude this review by providing a brief outlook and challenges of the field. Through this review, we aim to provide an overall picture of graphene plasmonic sensing and to suggest future trends of development of graphene plasmonics.

Zhang, Zhichao↗
DOE OSTI2026

Deep-ultraviolet ptychographic pocket-scope (DART): mesoscale lensless molecular imaging with label-free spectroscopic contrast

The mesoscale characterization of biological specimens has traditionally required compromises between resolution, field-of-view, depth-of-field, and molecular specificity, with most approaches relying on external labels. Here we present the Deep-ultrAviolet ptychogRaphic pockeT-scope (DART), a handheld platform that transforms label-free molecular imaging through intrinsic deep-ultraviolet spectroscopic contrast. By leveraging biomolecules’ natural absorption fingerprints and combining them with lensless ptychographic microscopy, DART resolves down to 308-nm linewidths across centimeter-scale areas while maintaining millimeter-scale depth-of-field. The system’s virtual error-bin methodology effectively eliminates artifacts from limited temporal coherence and other optical imperfections, enabling high-fidelity molecular imaging without lenses. Through differential spectroscopic imaging at deep-ultraviolet wavelengths, DART quantitatively maps nucleic acid and protein distributions with femtogram sensitivity, providing an intrinsic basis for explainable virtual staining. We demonstrate DART’s capabilities through imaging of tissue sections, cytopathology specimens, blood cells, and neural populations, revealing detailed molecular contrast without external labels. The combination of high-resolution molecular mapping and broad mesoscale imaging in a portable platform opens new possibilities from rapid clinical diagnostics, tissue analysis, to biological characterization in space exploration.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Atomistic nature of amorphous graphite

This paper focuses on the structural, electronic, and vibrational features of amorphous graphite [R. Thapa et al, Phys. Rev. Lett., 2022, 128, 236402]. The structural order in amorphous graphite is discussed and compared with graphite and amorphous carbon. The electronic density of states and localization in these phases were analyzed. Spatial projection of charge densities in the π bands showed a high charge concentration on participating atoms in connecting hexagons. A vibrational density of states was computed and is potentially an experimentally testable fingerprint of the material. An analysis of the vibrational modes was carried out using the phase quotient, and the mode stretching character. The average thermal conductivity calculated for aG was 0·85 and 0·96 W/cmK at room temperature and 1000 K, respectively.

Chemistry↗
DOE OSTI2023

Methods for Continuously Resolving Spectral Shifts in Distributed Optical Fiber Sensors Irradiated to Extreme Neutron Fluence

Optical frequency domain reflectometry (OFDR) is a technique for interrogating distributed optical fiber sensors (DOFS) and involves correlating changes in the Rayleigh backscatter fingerprint for a fiber under test (FUT) with a reference measurement. Recently, under the WIRE-21 experiment sponsored by Nuclear Science User Facilities (NSUF) and performed at the High-Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory (ORNL), silica optical fibers were irradiated to a fast neutron fluence of 1x10^21 n/cm^2/s at temperatures from 200--400 C. As in the cases of high-temperature and high-strain conditions, such high levels of neutron bombardment result in a highly dynamic RBS that evades analysis with conventional methods. This work describes the further development and application of graphical signal processing techniques applied to OFDR-based distributed optical fiber sensors specifically deployed in in-pile applications. While the signal processing techniques developed in this work are applied to DOFS in nuclear environments, they provide a general framework for the analysis of OFDR measurements and a tangible method to yield higher quality data, without imposing additional hardware requirements.

Sweeney, Dan↗
DOE OSTI2022

Intense infrared lasers for strong-field science

The advent of chirped-pulse amplification in the 1980s and femtosecond Ti:sapphire lasers in the 1990s enabled transformative advances in intense laser–matter interaction physics. Whereas most of experiments have been conducted in the limited near-infrared range of 0.8–1 μm, theories predict that many physical phenomena such as high harmonic generation in gases favor long laser wavelengths in terms of extending the high-energy cutoff. Significant progress has been made in developing few-cycle, carrier-envelope phase-stabilized, high-peak-power lasers in the 1.6–2 μm range that has laid the foundation for attosecond X ray sources in the water window. Even longer wavelength lasers are becoming available that are suitable to study light filamentation, high harmonic generation, and laser–plasma interaction in the relativistic regime. Long-wavelength lasers are suitable for sub-bandgap strong-field excitation of a wide range of solid materials, including semiconductors. In the strong-field limit, bulk crystals also produce high-order harmonics. In this review, we first introduce several important wavelength scaling laws in strong-field physics, then describe recent breakthroughs in short- (1.4–3 μm), mid- (3–8 μm), and long-wave (8–15 μm) infrared laser technology, and finally provide examples of strong-field applications of these novel lasers. Furthermore, some of the broadband ultrafast infrared lasers will have profound effects on medicine, environmental protection, and national defense, because their wavelengths cover the water absorption band, the molecular fingerprint region, as well as the atmospheric infrared transparent window.

43 PARTICLE ACCELERATORS↗
DOE OSTI2019

Hysteresis in the spontaneous emission induced by VO 2 phase change

We investigate the spontaneous emission of a two-level quantum emitter in the vicinity of a vanadium dioxide (VO 2 ) thin film. By taking advantage of effective medium techniques to describe the dielectric constant of the VO 2 , we demonstrate that, in the near-field regime, the spontaneous emission rate of both electric and magnetic dipole emitters can be maximized at the insulator-to-metal phase transition temperature of the film. We find that VO 2 ’s thermal hysteresis curve produces clear fingerprints in the emitter’s decay process, offering a new degree of freedom to dynamically control light emission at the nanoscale. We also find that the spontaneous emission rate is a non-monotonic function of the emitter transition wavelength, presenting a pronounced peak at infrared frequencies. Altogether, our results reveal that VO 2 phase transition is a promising mechanism to achieve on-demand tuning of an emitter’s lifetime.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Achieving comb formation over the entire lasing range of quantum cascade lasers

Frequency combs based on quantum cascade laser (QCL) are finding promising applications in highspeed broadband spectroscopy in the terahertz regime, where many molecules have their "fingerprints". To form stable combs in QCLs, an effective control of group velocity dispersion plays a critical role. The dispersion of the QCL cavity has two main parts: a static part from the material and a dynamic part from the intersubband transitions. Unlike the gain, which is clamped to a fixed value above the lasing threshold, dispersion associated with the intersubband transitions changes with bias even above the threshold, and this reduces the dynamic range of comb formation. Here, by incorporating tunability into the dispersion compensator, we demonstrate a QCL device exhibiting comb operation from I th to I max , which greatly expands the operation range of the frequency combs.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Nearly degenerate two-color impulsive coherent Raman hyperspectral imaging

Impulsive stimulated Raman scattering (ISRS) is a robust technique for studying low frequency (<300 cm –1 ) Raman vibrational modes, but ISRS has faced difficulty in translation to an imaging modality. A primary challenge is the separation of the pump and probe pulses. Here we introduce and demonstrate a simple strategy for ISRS spectroscopy and hyperspectral imaging that uses complementary steep edge spectral filters to separate the probe beam detection from the pump and enables simple ISRS microscopy with a single-color ultrafast laser source. ISRS spectra are obtained that span from the fingerprint region down to <50 cm –1 vibrational modes. Furthermore, hyperspectral imaging and polarization-dependent Raman spectra are also demonstrated.

47 OTHER INSTRUMENTATION↗
DOE OSTI2016

Terahertz multiheterodyne spectroscopy using laser frequency combs

The terahertz region is of great importance for spectroscopy since many molecules have absorption fingerprints there. Frequency combs based on terahertz quantum cascade lasers feature broadband coverage and high output powers in a compact package, making them an attractive option for broadband spectroscopy. Here, we demonstrate the first multiheterodyne spectroscopy using two terahertz quantum cascade laser combs. Over a spectral range of 250 GHz, we achieve average signal-to-noise ratios of 34 dB using cryogenic detectors and 24 dB using room-temperature detectors, all in just 100 μs. As a proof of principle, we use these combs to measure the broadband transmission spectrum of etalon samples and show that, with proper signal processing, it is possible to extend the multiheterodyne spectroscopy to quantum cascade laser combs operating in pulsed mode. As a result, this greatly expands the range of quantum cascade lasers that could be suitable for these techniques and allows for the creation of completely solid-state terahertz laser spectrometers.

42 ENGINEERING↗
DOE OSTI2019

Super-octave longwave mid-infrared coherent transients produced by optical rectification of few-cycle 25-μm pulses

Femtosecond laser sources and optical frequency combs in the molecular fingerprint region of the electromagnetic spectrum are crucial for a plethora of applications in natural and life sciences. Here we introduce Cr 2+ -based lasers as a convenient means for producing super-octave mid-IR electromagnetic transients via optical rectification (or intra-pulse difference frequency generation, IDFG). We demonstrate that a relatively long, 2.5 μm, central wavelength of a few-cycle Cr 2+ :ZnS driving source (20 fs pulse duration, 6 W average power, 78 MHz repetition rate) enabled the use of highly nonlinear ZnGeP 2 crystal for IDFG with exceptionally high conversion efficiency (>3%) and output power of 0.15 W, with the spectral span of 5.8–12.5 μm. Even broader spectrum was achieved in GaSe crystal: 4.3–16.6 μm for type I and 5.8–17.6 μm for type II phase matching. The results highlight the potential of this architecture for ultrafast spectroscopy and generation of broadband frequency combs in the longwave infrared.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Novel covariance-based neutrality test of time-series data reveals asymmetries in ecological and economic systems

Systems as diverse as the interacting species in a community, alleles at a genetic locus, and companies in a market are characterized by competition (over resources, space, capital, etc) and adaptation. Neutral theory, built around the hypothesis that individual performance is independent of group membership, has found utility across the disciplines of ecology, population genetics, and economics, both because of the success of the neutral hypothesis in predicting system properties and because deviations from these predictions provide information about the underlying dynamics. However, most tests of neutrality are weak, based on static system properties such as species-abundance distributions or the number of singletons in a sample. Time-series data provide a window onto a system’s dynamics, and should furnish tests of the neutral hypothesis that are more powerful to detect deviations from neutrality and more informative about to the type of competitive asymmetry that drives the deviation. Here, we present a neutrality test for time-series data. We apply this test to several microbial time-series and financial time-series and find that most of these systems are not neutral. Our test isolates the covariance structure of neutral competition, thus facilitating further exploration of the nature of asymmetry in the covariance structure of competitive systems. Much like neutrality tests from population genetics that use relative abundance distributions have enabled researchers to scan entire genomes for genes under selection, we anticipate our time-series test will be useful for quick significance tests of neutrality across a range of ecological, economic, and sociological systems for which time-series data are available. Here, future work can use our test to categorize and compare the dynamic fingerprints of particular competitive asymmetries (frequency dependence, volatility smiles, etc) to improve forecasting and management of complex adaptive systems.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

dGPredictor: Automated fragmentation method for metabolic reaction free energy prediction and de novo pathway design

Group contribution (GC) methods are conventionally used in thermodynamics analysis of metabolic pathways to estimate the standard Gibbs energy change ( Δ r G ′ o ) of enzymatic reactions from limited experimental measurements. However, these methods are limited by their dependence on manually curated groups and inability to capture stereochemical information, leading to low reaction coverage. Herein, we introduce an automated molecular fingerprint-based thermodynamic analysis tool called dGPredictor that enables the consideration of stereochemistry within metabolite structures and thus increases reaction coverage. dGPredictor has comparable prediction accuracy compared to existing GC methods and can capture Gibbs energy changes for isomerase and transferase reactions, which exhibit no overall group changes. We also demonstrate dGPredictor’s ability to predict the Gibbs energy change for novel reactions and seamless integration within de novo metabolic pathway design tools such as novoStoic for safeguarding against the inclusion of reaction steps with infeasible directionalities. To facilitate easy access to dGPredictor, we developed a graphical user interface to predict the standard Gibbs energy change for reactions at various pH and ionic strengths. The tool allows customized user input of known metabolites as KEGG IDs and novel metabolites as InChI strings ( https://github.com/maranasgroup/dGPredictor ).

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

From lapis lazuli to ultramarine blue: investigating Cennino Cennini’s recipe using sulfur K-edge XANES

As one of the most desired and expensive artists’ materials throughout history, there has long been interest in studying natural lapis lazuli. The traditional method of extracting the blue component, lazurite, from lapis lazuli, as outlined in Cennini’s Il Libro dell’Arte , involves a lengthy purification process: (1) finely grind the rock; (2) mix with pine rosin, gum mastic, and beeswax; (3) massage in water to collect the lazurite. Repeating the process produces several grades of the pigment, typically referred to as ultramarine blue. Here, we investigate the sulfur environment within the aluminosilicate framework of lazurite during its extraction from lapis lazuli. The sulfur XANES fingerprint from samples taken at the different stages in Cennini’s extraction method were examined. All spectra contain a strong absorption peak at 2483 eV, attributable to sulfate present in the lazurite structure. However, intensity variations appear in the broad envelope of peaks between 2470 and 2475 eV and the pre-peak at 2469.1 eV, indicating a variation in the content of trisulfur (S 3 –˙ ) radicals. By studying the effect of each step of Cennini’s process, this study elucidates the changes occurring during the extraction and the variability within different grades of the precious coloring material. The increasing application of XANES to the study of artist’s materials and works of art motivated extending the research to assess the possibility of X-ray induced damage. Direct comparison of micro-focused and unfocused beam experiments suggests an increase of the S 3 –˙ radicals with prolonged exposure. Furthermore, analysis indicates that induced damage follows first-order kinetics, providing a first assessment on the acceptable amount of radiation exposure to define the optimal acquisition parameters to allow safe analyses of lapis lazuli and ultramarine pigments.

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

Polymer genome–based prediction of gas permeabilities in polymers

Abstract Predicting gas permeabilities of polymers a priori is a long-standing challenge within the membrane research community that has important applications for membrane process design and ultimately widespread adoption of membrane technology. From early attempts based on free volume and cohesive energy to more recent group contribution methods, the ability to predict membrane permeability has improved in terms of accuracy. However, these models usually stay “within the paper”, i.e. limited model details are provided to the wider community such that adoption of these predictive platforms is limited. In this work, we combined an advanced polymer chemical structure fingerprinting method with a large experimental database of gas permeabilities to provide unprecedented prediction precision over a large range of polymer classes. No prior knowledge of the polymer is needed for the prediction other than the repeating unit chemical formula. In addition, we have incorporated this model into the existing Polymer Genome project to make it open to the membrane research community.

Polymer Science↗
DOE OSTI2022

Tethered balloon-borne profile measurements of atmospheric properties in the cloudy atmospheric boundary layer over the Arctic sea ice during MOSAiC: Overview and first results

The tethered balloon-borne measurement system BELUGA (Balloon-bornE moduLar Utility for profilinG the lower Atmosphere) was deployed over the Arctic sea ice for 4 weeks in summer 2020 as part of the Multidisciplinary drifting Observatory for the Study of Arctic Climate expedition. Using BELUGA, vertical profiles of dynamic, thermodynamic, aerosol particle, cloud, radiation, and turbulence properties were measured from the ground up to a height of 1,500 m. BELUGA was operated during an anomalously warm period with frequent liquid water clouds and variable sea ice conditions. Three case studies of liquid water phase, single-layer clouds observed on 3 days (July 13, 23, and 24, 2020) are discussed to show the potential of the collected data set to comprehensively investigate cloud properties determining cloud evolution in the inner Arctic over sea ice. Simulated back-trajectories show that the observed clouds have evolved within 3 different air masses (“aged Arctic,” “advected over sea ice,” and “advected over open ocean”), which left distinct fingerprints in the cloud properties. Strong cloud top radiative cooling rates agree with simulated results of previous studies. The weak warming at cloud base is mostly driven by the vertical temperature profile between the surface and cloud base. In-cloud turbulence induced by the cloud top cooling was similar in strength compared to former studies. From the extent of the mixing layer, it is speculated that the overall cloud cooling is stronger and thus faster in the warm oceanic air mass. Larger aerosol particle number concentrations and larger sizes were observed in the air mass advected over the sea ice and in the air mass advected over the open ocean.

Arctic↗
DOE OSTI2017

X-ray spectroscopies studies of the 3d transition metal oxides and applications of photocatalysis

Some recent advances in synchrotron based x-ray spectroscopy enable materials scientists to emanate fingerprints on important materials properties, e.g., electronic, optical, structural, and magnetic properties, in real-time and under nearly real-world conditions. This characterization, then, in combination with optimized materials synthesis routes and tailored morphological properties could contribute greatly to the advances in solid-state electronics and renewable energy technologies. In connection to this, such perspective reflects the current materials research in the space of emerging energy technologies, namely photocatalysis, with a focus on transition metal oxides, mainly on the Fe 2 O 3 - and TiO 2 -based materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Muon Radiography for Non-Destructive, Non-Invasive Assay and Long-Term Monitoring of Nuclear Fuel Debris and Fuel Assemblies.

We propose developing a muon cosmic ray radiography system dedicated to the task of assay and long-term safeguard monitoring of Fukushima fuel debris or fuel assemblies. The system would be non-destructive and non-invasive, using naturally occurring cosmic radiation to assay the entire volume of the fuel debris container. The technique distinguishes between materials and is especially sensitive to measuring the location and amount of heavy elements such as uranium and plutonium. Scope of the feasibility study would encompass a) demonstrating material assay (location and amount) of a regular-shaped depleted uranium object sealed in a debris container, and b) repeating the material assay of debris-proxy materials of irregular shape (corium), sealed in a debris container. Muon radiography of each container would result in a unique “fingerprint” of the contents, useful for long-term safeguards monitoring.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗