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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Hierarchical Inorganic Assemblies for Artificial Photosynthesis

Artificial photosynthesis is an attractive approach for renewable fuel generation because it offers the prospect of a technology suitable for deployment on highly abundant, non-arable land. Recent leaps forward in the development of efficient and durable light absorbers and catalysts for oxygen evolution and the growing attention to catalysts for carbon dioxide activation brings into focus the tasks of hierarchically integrating the components into assemblies for closing of the photosynthetic cycle. A particular challenge is the efficient coupling of the multi-electron processes of CO 2 reduction and H 2 O oxidation. Among the most important requirements for a complete integrated system are catalytic rates that match the solar flux, efficient charge transport between the various components, and scalability of the photosynthetic assembly on the unprecedented scale of terawatts in order to have impact on fuel consumption. To address these challenges, we have developed in this paper a heterogeneous inorganic materials approach with molecularly precise control of light absorption and charge transport pathways. Oxo-bridged heterobinuclear units with metal-to-metal charge-transfer transitions absorbing deep in the visible act as single photon, single charge transfer pumps for driving multi-electron catalysts. A photodeposition method has been introduced for the spatially directed assembly of nanoparticle catalysts for selective coupling to the donor or acceptor metal of the light absorber. For CO 2 reduction, a Cu oxide cluster is coupled to the Zr center of a ZrOCo light absorber, while coupling of an Ir nanoparticle catalyst for water oxidation to the Co donor affords closing of the photosynthetic cycle of CO 2 conversion by H 2 O to CO and O 2 . Optical, vibrational, and X-ray spectroscopy provide detailed structural knowledge of the polynuclear assemblies. Time resolved visible and rapid-scan FT-IR studies reveal charge transfer mechanisms and transient surface intermediates under photocatalytic conditions for guiding performance improvements. Separation of the water oxidation and carbon dioxide reduction half reactions by a membrane is essential for efficient photoreduction of CO 2 by H 2 O to liquid fuel products. A concept of a macroscale artificial photosystem consisting of arrays of Co oxide–silica core–shell nanotubes is introduced in which each tube operates as a complete, independent photosynthetic unit with built-in membrane separation. The ultrathin amorphous silica shell with embedded molecular wires functions as a proton conducting, molecule impermeable membrane. Photoelectrochemical and transient optical measurements confirm tight control of charge transport through the membrane by the orbital energetics of the wire molecules. Finally, hierarchical arrangement of the components is accomplished by a combination of photodeposition, controlled anchoring, and atomic layer deposition methods.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Low-frequency ultrasonic Bessel-like collimated beam generation from radial modes of piezoelectric transducers

We present a very simple approach to generate a collimated ultrasonic beam that exploits the natural Bessel-like vibration pattern of the radial modes of a piezoelectric disc with lateral clamping. This eliminates the need for the conventional annular Bessel pattern of the electrodes with individual electrode excitation on the piezo-disc, thus simplifying the transducer design. Numerical and experimental studies are carried out to investigate the Bessel-like vibration patterns of these radial modes showing an excellent agreement between these two studies. Measured ultrasonic beam- pro les in water from the radial modes con rm the profile to be a Bessel beam. Collimated beam generation from radial modes is investigated using a coupled electromechanical finite-element model. It is found that clamping the lateral edges of piezoelectric transducers results in a high-degree of collimation with practically no side-lobes similar to a parametric array beam. Ultrasonic beam- profile measurements in water with both free and clamped piezoelectric transducer are presented. The collimated beam generation using the present technique of using the laterally clamped radial modes finds significant applications in low-frequency imaging through highly attenuating materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Insight into the Selectivity of Isopropanol Conversion at Strontium Titanate (100) Surfaces: A Combination Kinetic and Spectroscopic Study

This work aims to better understand the role of interfacial molecular structure that governs selectivity and activity in heterogeneous catalytic reactions. To address this, a comprehensive study of isopropanol conversion over an archetypal perovskite material, strontium titanate (SrTiO 3 or STO), was performed with an array of techniques sensitive to orthogonal aspects of the ensuing chemistry. Cubic-shape STO nanoparticles with only the (100) facet exposed were synthesized and used to study the ensemble kinetic conversion of isopropanol over the surfaces, which showed a remarkable selectivity to form acetone, with minor propylene products appearing at elevated temperatures. These results in combination with inelastic neutron scattering measurements provide not only new insight into the selectivity and overall activity of the catalysts but also low frequency vibrational signatures of the adsorbed and reacted species. To compliment these measurements, pristine thin films of STO (100) were synthesized and used in combination with vibrational sum frequency generation spectroscopy to extract the absolute molecular orientation of the adsorbed molecules at the interface. It was found that the isopropanol assumes an orientation where the -CH group points towards the STO surface; this pre-reaction geometry offers an obvious pathway to produce acetone by abstracting the alpha-proton and, thus, provides a mechanistic explanation of selectivity at STO (100) surfaces. This new insight opens up pathways to explore and modify surfaces to tune the activity/selectivity though a molecular level understanding of the reactions at the surface.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Hybrid Metasurface-Based Mid-Infrared Biosensor for Simultaneous Quantification and Identification of Monolayer Protein

Metasurfaces emerge as a promising photonic platform for biosensing because they offer strong optical confinement and tunable optical resonances. Here, we show that metasurface-based biosensors consisting of gold nanoantenna arrays loaded with graphene and working in the mid-infrared (mid-IR) spectral range can achieve simultaneous high-sensitivity and high-specificity detection of biomolecules. Strong light–molecule interactions in deeply subwavelength optical spots created by the biosensors allow us to determine the concentration of protein molecules via spectral shifts of the metasurface resonance. A combination of passive and active tuning of the metasurface sensors allows us to spectrally overlap the metasurface resonance and the protein vibrational modes, so that protein molecules can be identified via their characteristic mid-IR “fingerprints”. As a result, the high sensitivity and specificity of the metasurface sensors enable us to determine the secondary structure of protein immunoglobulin (IgG) molecules 4 orders of magnitude more sensitive than attenuated total reflection Fourier transform infrared spectroscopy.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Seismic monitoring of a small CO 2 injection using a multi-well DAS array: Operations and initial results of Stage 3 of the CO 2 CRC Otway project

Active time-lapse seismic is widely employed for monitoring CO 2 geosequestration due to its ability to track the distribution of fluids in space and time. However, standard 4D seismic monitoring suffers from several challenges, including high cost, disruption to other land uses, and, consequently, relatively large intervals between monitor surveys. Some of these challenges can be mitigated using permanently installed sources and receivers. Such an approach was tested at the CO 2 CRC Otway site by continuous offset VSP monitoring of 15,000 t of supercritical CO 2 injected into an aquifer 1,500 m deep with nine permanent seismic sources (surface orbital vibrators or SOVs) and five downhole fibre-optic receivers. This continuous monitoring is complemented by multi-well 4D VSP using a mobile vibroseis source and the same DAS receivers, which included one baseline and two monitor surveys after injection of 4,000 and 12,000 t of CO 2 . The continuous DAS-SOV monitoring detected an abrupt increase of travel times below the injection interval on the second day of injection (after injection of 300 t of CO 2 ) and tracked the growth of the areal CO 2 plume by mapping changes of reflection amplitudes. The plume is also detected by time-lapse changes of reflection amplitudes in multi-well 4D VSPs. The plume images obtained from continuous offset VSP and 4D VSP are broadly consistent with each other but with some differences due to differences in illumination, lateral variations of velocities and seismic anisotropy. Furthermore, these differences also serve as a measure of uncertainty of 4D VSP images.

4D VSP↗
DOE OSTI2023

Optical design and synthetic analysis of the electron cyclotron emission imaging diagnostic of HL-2M tokamak

The electron cyclotron emission imaging (ECEI) diagnostic is a powerful tool to study the MHD and turbulent transport in magnetically confined fusion plasmas. In this work, the optical system including the local oscillator (LO) coupling and radio frequency (RF) receiving optics, has been designed and analyzed for the HL-2M ECEI diagnostic. The LO optics can illuminate the antenna array and drive the mixer diode to work efficiently, with more than 36% of the beam intensity for the channels which probe the plasma edge relative to those of channels which probe the plasma core. The RF optics aims at guiding the plasma emission signal to the antenna array. To meet different physical requirements, three types of field of view have been achieved for the plasma imaging, with zoom factors of around 1, 1.5 and 2, respectively. The focal surfaces are almost flat, with a maximum off-mapping (defined as the radial distance between the beam waists of the lower-/uppermost antennas and electron cyclotron emission layer) less than 2.5 cm, which can match the electron cyclotron emission layer quite well and suppress the image distortion in the plasma edge region. Furthermore, the impact of possible vibrations and installation error on the focal plane has been evaluated. In addition, the predefined MHD and turbulence perturbations are well reproduced by combining the optical simulation results and synthetic ECEI modeling, which further verifies the good performance of the RF optics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Structure of 0 + excitations in the mass A ≈ 100 region: 0 2 + bands in Sr 98 and Zr 100

0 + 2 bands in 98 Sr and 100 Zr, populated in spontaneous fission of 248 Cm and 252 Cf, have been studied using the Eurogam2 and Gammasphere arrays. Phenomenological classification of excited 0 + levels in even-even nuclei of the A ≈ 100 region into four categories is presented and an interpretation for each category is proposed. Highly deformed 0 + 1 ground states and low-energy 0 + 2 levels in both nuclei are probably due to the 2p-2h excitation of two neutrons from the 9/2 + [404] extruder to the low-Ω prolate and the 11/2 – [505] oblate orbitals originating from the h 11/2 shell, respectively. As a result, candidates for 0 + , β vibrational states in A ≈ 100 region are suggested at N > 60.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Detection and Association of Operational Events using DAS and Seismometers (FY 2025 Mid-Year Report)

This mid-year report summarizes ongoing work to identify anomalous vibration signals indicative of potential containment breaches. This work includes compiling continuous seismic datasets and testing and refining underground detection and geolocation techniques. In the first two quarters of FY25, we have completed two project work plan tasks: (1) creating a database of continuous waveforms and ground truth event data from multiple modalities and (2) refining and implementing a detection and association algorithm to create a catalog of anomalous underground activities. This report contains a summary of the seismic database including the continuous seismic data collected by a dense array of surface seismic stations above Pleasant Gap Mine, and continuous seismic data collected using subsurface distributed acoustic sensing (DAS) in the subsurface at Sanford Underground Research Facility (SURF) and the ground truth information gathered from both sites. This report also includes results from refining and applying a dynamic power spectral density detector to both continuous seismic datasets. Finally, the report provides an initial catalog of subsurface operational events from both sensing modalities.

58 GEOSCIENCES↗
DOE OSTI2016

Single step synthesis of rutile TiO{sub 2} nanoflower array film by chemical bath deposition method

Titanium oxide (TiO{sub 2}) nanostructures such as nanorod arrays, nanotube arrays and nanoflower arrays have been extensively investigated by the researchers. Among them nanoflower arrays has shown superior performance than other nanostructures in Dye sensitized solar cell, photocatalysis and energy storage applications. Herein, a single step synthesis for rutile TiO{sub 2} nanoflower array films suitable for device applications has been reported. Rutile TiO{sub 2} nanoflower thin film was synthesized by chemical bath deposition method using NaCl as an additive. Bath temperature induced evolution of nanoflower thin film arrays was observed from the morphological study. X-ray diffraction study confirmed the presence of rutile phase polycrystalline TiO{sub 2}. Micro-Raman study revealed the presence of surface phonon mode at 105 cm{sup −1} due to the phonon confinement effect (finite size effect), in addition with the rutile Raman active modes of B{sub 1}g (143 cm{sup −1}), Eg (442 cm{sup −1}) and A{sub 1}g (607 cm{sup −1}). Further, the FTIR spectrum confirmed the presence of Ti-O-Ti bonding vibration. The Tauc plot showed the direct energy band gap nature of the film with the value of 2.9 eV.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Enhanced light–matter interaction of aligned armchair graphene nanoribbons using arrays of plasmonic nanoantennas

We couple photoluminescent semiconducting 7-atom wide armchair edge graphene nanoribbons to plasmonic nanoantenna arrays and demonstrate an enhancement of the photoluminescence and Raman scattering intensity of the nanoribbons by more than an order of magnitude averaged over large areas, and by three orders of magnitude in the hot spots of plasmonic antennas. The increase in signal allows us to study Raman spectra with high signal-to-noise ratio. Using plasmonic enhancement we are able to detect the off-resonant Raman scattering from the modified radial breathing-like mode (RBLM) due to physisorbed molecules, the 3rd order RBLM, and C-H vibrations. We find excellent agreement between experimental data and simulations describing the spectral dependence of the enhancement and modifications of the polarization anisotropy. The strong field gradients in the optical near-field further allow us to probe the subwavelength coherence properties of the phonon modes in the nanoribbons. We theoretically model this considering a finite phonon correlation length along the GNR direction. Our results allow estimating the correlation length in graphene nanoribbons.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Model for describing plasmonic nanolasers using Maxwell-Liouville equations with finite-difference time-domain calculations

In this work, we present a theoretical study of lasing action when plasmonic metallic structures that show lattice plasmon resonances are embedded in a gain medium. Our model combines classical electrodynamics for arrays of gold nanoparticles with a four-level quantum Liouville model of the laser dye photophysics. A numerical solution was implemented using finite-difference time-domain calculations coupled with a finite-difference solution to the Liouville equation. A particular focus of this work is the influence of dephasing in the quantum dynamics on the emission intensity at the threshold for lasing. We find that dephasing in the quantum system leads to reduced lasing emission, but with little effect on the long-term population inversion. Both electronic and vibrational dephasing is considered, but only electronic dephasing is significant, with the fully dephased result appearing for dephasing times comparable to plasmon dephasing (~10 fs) while fully coherent results involve >100 ps dephasing times as determined by the rate of stimulated emission. There are factor-of-2 differences between the Maxwell-Liouville results (greater emission intensities and narrower widths) compared to the corresponding results of rate-equation models of the dye states, which indicates the importance of using the Maxwell-Liouville approach in modeling these systems. We also examine rate-equation models with and without constraints arising from the Pauli exclusion principle, and we find relatively small effects.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Fabrication, thermal analysis, and heavy ion irradiation resistance of epoxy matrix nanocomposites loaded with silane-functionalized ceria nanoparticles

This paper describes a detailed understanding of how nanofillers function as radiation barriers within the polymer matrix, and how their effectiveness is impacted by factors such as composition, size, loading, surface chemistry, and dispersion. Here, we designed a comprehensive investigation of heavy ion irradiation resistance in epoxy matrix composites loaded with surface-modified ceria nanofillers, utilizing tandem computational and experimental methods to elucidate radiolytic damage processes and relate them to chemical and structural changes observed through thermal analysis, vibrational spectroscopy, and electron microscopy. A detailed mechanistic examination supported by FTIR spectroscopy data identified the bisphenol A moiety as a primary target for degradation reactions. Results of computational modeling by the Stopping Range of Ions in Matter (SRIM) Monte Carlo simulation were in good agreement with damage analysis from surface and cross-sectional SEM imaging. All metrics indicated that ceria nanofillers reduce the damage area in polymer nanocomposites, and that nanofiller loading and homogeneity of dispersion are key to effective damage prevention. The results of this study represent a significant pathway for engineered irradiation tolerance in a diverse array of polymer nanocomposite materials. Numerous areas of materials science can benefit from utilizing this facile and effective method to extend the reliability of polymer materials.

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

A large field-of-view high-resolution hard x-ray microscope using polymer optics

Here, we present an effective approach using a matched pair of polymer-based condenser-objective lenses to build a compact full-field X-ray microscope with a high spatial resolution. A unique condenser comprising arrays of high-aspect-ratio prisms with equilateral cross-section is used for uniformly illuminating samples over a large field of view (FoV) from all angles, which match the acceptance of an objective made of interdigitated orthogonal rows of one-dimensional lenses. State-of-the-art Talbot grating interferometry used to characterize these lenses for the first time revealed excellent focusing properties and minimal wave-front distortions. Using a specific lens-pair designed for 20 keV X-rays, short-exposure times, and image registration with a cross-correlation technique, we circumvent vibrational instabilities to obtain distortion-free images with a uniform resolution of 240 nm (smallest resolvable line pair) over a large FoV, 80 × 80 µm 2 in extent. The results were contrasted with those collected under illumination using commercial two-dimensional parabolic lenses with a smaller FoV. This approach implemented on a diffractometer would enable diffraction-contrast or dark-field microscopy for fast observations of ‘mesoscopic’ phenomena in real space complementing reciprocal-space studies using diffraction on the same instrument.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Seismic savanna: machine learning for classifying wildlife and behaviours using ground‐based vibration field recordings

Abstract We develop a machine learning approach to detect and discriminate elephants from other species, and to recognise important behaviours such as running and rumbling, based only on seismic data generated by the animals. We demonstrate our approach using data acquired in the Kenyan savanna, consisting of 8000 h seismic recordings and 250 k camera trap pictures. Our classifiers, different convolutional neural networks trained on seismograms and spectrograms, achieved 80%–90% balanced accuracy in detecting elephants up to 100 m away, and over 90% balanced accuracy in recognising running and rumbling behaviours from the seismic data. We release the dataset used in this study: SeisSavanna represents a unique collection of seismic signals with the associated wildlife species and behaviour. Our results suggest that seismic data offer substantial benefits for monitoring wildlife, and we propose to further develop our methods using dense arrays that could result in a seismic shift for wildlife monitoring.

Szenicer, Alexandre↗
DOE OSTI2014

Magnetic behavior of NiCu nanowire arrays: Compositional, geometry and temperature dependence

Arrays of Ni{sub 100−x}Cu{sub x} nanowires ranging in composition 0 ≤ x ≤ 75, diameter from 35 to 80 nm, and length from 150 nm to 28 μm have been fabricated by electrochemical co-deposition of Ni and Cu into self-ordered anodic aluminum oxide membranes. As determined by X-ray diffraction and Transmission Electron Microscopy, the crystalline structure shows fcc cubic symmetry with [111] preferred texture and preferential Ni or Cu lattice depending on the composition. Their magnetic properties such as coercivity and squareness have been determined as a function of composition and geometry in a Vibrating Sample Magnetometer in the temperature range from 10 to 290 K for applied magnetic fields parallel and perpendicular to the nanowires axis. Addition of Cu into the NiCu alloy up to 50% enhances both parallel coercivity and squareness. For the higher Cu content, these properties decrease and the magnetization easy axis becomes oriented perpendicular to the wires. In addition, coercivity and squareness increase by decreasing the diameter of nanowires which is ascribed to the increase of shape anisotropy. The temperature dependent measurements reflect a complex behavior of the magnetic anisotropy as a result of energy contributions with different evolution with temperature.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

2D to 3D transition of polymeric carbon nitride nanosheets

The transition from a prevalent turbostratic arrangement with low planar interactions (2D) to an array of polymeric carbon nitride nanosheets with stronger interplanar interactions (3D), occurring for samples treated above 650 °C, was detected by terahertz-time domain spectroscopy (THz-TDS). The simulated 3D material made of stacks of shifted quasi planar sheets composed of zigzagged polymer ribbons, delivered a XRD simulated pattern in relatively good agreement with the experimental one. The 2D to 3D transition was also supported by the simulation of THz-TDS spectra obtained from quantum chemistry calculations, in which the same broad bands around 2 THz and 1.5 THz were found for 2D and 3D arrays, respectively. This transition was also in accordance with the tightening of the interplanar distance probably due to an interplanar π bond contribution, as evidenced also by a broad absorption around 2.6 eV in the UV–vis spectrum, which appeared in the sample treated at 650 °C, and increased in the sample treated at 700 °C. The band gap was calculated for 1D and 2D cases. The value of 3.374 eV for the 2D case is, within the model accuracy and precision, in a relative good agreement with the value of 3.055 eV obtained from the experimental results. - Graphical abstract: 2D lattice mode vibrations and structural changes correlated with the so called “2D to 3D transition”. - Highlights: • A 2D to 3D transition has been detected for polymeric carbon nitride. • THz-TDS allowed us to discover and detect the 2D to 3D transition of polymeric carbon nitride. • We propose a structure for polymeric carbon nitride confirming it with THz-TDS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Simulations of a Helical Tube Bundle in Cross-Flow for Application to Flow-Induced Vibration

Helical tubes have been used in a number of systems, including the energy and chemical processing industries. Helical-Coil Steam Generators (HCSGs) in particular have special application in systems for which spatial constraints are important. Variants of these designs are notably included in a number of integral-vessel small modular reactor (SMR) designs which are currently in development by multiple companies. These designs typically have the primary side located within the vessel, with the secondary side flowing upward through the helical tubes. One complexity in implementing an HCSG within the reactor pressure vessel is that any potential flow-induced vibration (FIV) can impact reactor safety. In a typical power plant, heat exchanger tube failures caused by FIV can be costly, but generally do not have immediate impact on the core safety due to their relative isolation from the core area. In an integral-vessel design, a tube rupture could eject material from the secondary side into the primary flow, potentially damaging the core itself or other crucial components. Thus a higher degree of confidence in predicting and/or preventing FIV should be attained for implementing the helical tubes in these designs. A significant campaign is currently underway to address the topic of FIV in helical tube arrays. The U.S. Department of Energy, under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) initiative, has deemed this a 'high-impact problem'. This will include both experimental and computational contributions from a consortium consisting of multiple universities, industry partners, and national laboratories, including Argonne National Laboratory. The primary industrial partner is NuScale, which will see direct benefits from this initiative to the development of their SMR and its component design. The primary focus of this paper is to establish some of the computational efforts that have been made to this stage and the initial benchmarking of computational tools. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Dispersion-Engineered Deep Sub-Wavelength Plasmonic Metasurfaces for Broadband Seira Applications

Surface enhanced infrared absorption (SEIRA) spectroscopy is a powerful tool in which plasmonically enhanced electromagnetic fields provide high-sensitivity molecular detection. Most SEIRA platforms operate at a single resonant frequency, which must be tuned to match that of the target molecule, and commonly rely on time-consuming lithographic techniques. This study presents a high-throughput and cost-effective plasmonic metasurface for broadband, tunable, and strong infrared signal enhancement. The platform is built upon the principle of dispersion-engineered plasmonic Fabry–Pérot (FP) nanocavity arrays. It offers 1) tight squeezing of infrared (IR) photons into deep sub-wavelength nano-volumes and 2) spectrally tunable near-field enhancements of up to ≈10 6 , two to three orders of magnitude higher than most optical metasurface systems. By coupling multilayer nano-thin film deposition and nanoskiving fabrication techniques, the dispersive FP metasurfaces can be rapidly and reproducibly constructed in a scalable and lithography-free manner. Using IR spectroscopy, the selective and sensitive label-free detection of a molecular monolayer is achieved at a range of frequencies. An enhancement factor of nearly 10 5 is measured at the carbonyl (C = O) vibrational marker band of the molecule. The confluence of high field enhancement, broadband plasmonic response, and facile fabrication makes this metasurface a promising platform for SEIRA spectroscopy.

36 MATERIALS SCIENCE↗